AMBER Archive (2007)

Subject: AMBER: use of pucker function in ptraj

From: Ben Tan (u46862_at_yahoo.com)
Date: Thu May 10 2007 - 06:00:41 CDT


Hi all,
  I'm new to amber and seemed to have a problem with the pucker function. A simulation of A-DNA (DNA duplex d(CCAACGTTGG)2 ) at 300K was ran using amber for 1ns with each frame being 2ps. I'm currently trying to analyze the results, especially the pucker change. A-Dna should transit to resemble a state close to B-DNA and have its pucker value change from 18 to 162 degrees.
   
  My input commands are as follows:
   
  ----------------------------
ptraj dna.top << EOF
  trajin md1.crd
  pucker puck :1_at_C1' :3_at_C2' :3_at_C3' :1_at_C4' :1_at_O4' out dnapuck.dat
  EOF
  ----------------------------
   
    The output i obtained is
                    1 51.53282 2 69.93088 3 96.38173 4 121.5788 5 124.2986 6 91.57729 7 113.6491 8 44.67584 9 93.54765 10 47.00949 11 113.0329 12 57.59237 13 53.49408 14 135.4125 15 26.46863 16 123.3433 17 122.31 18 96.71921 19 90.26821 20 30.52126 21 120.794 22 141.6374 23 128.4761 24 38.11933 25 90.69538 26 85.61953 27 114.251 28 132.2929 29 75.5043 30 125.7727 31 170.4522 32 118.7268 33 92.71441 34 39.55897 35 30.05217 36 121.7456 37 79.80531 38 80.94659 39 102.8481 40 111.5462 41 18.18747 42 111.591 43 120.3893 44 116.566 45 62.02669 46 48.88369 47 135.3601 48 70.97925 49 68.73177 50 124.7432 51 103.4492 52 141.5949 53 102.0639 54 126.9055 55 83.67156 56 96.37258 57 123.4397 58 122.7418 59 93.50974 60 7.255991 61 27.13983 62
 113.9093 63 94.29127 64 103.2021 65 119.8396 66 73.79318 67 116.3563 68 22.02005 69 5.02734 70 106.979 71 39.65836 72 97.76554 73 45.82101 74 102.4467 75 131.5878 76 100.1542 77 143.3188 78 24.16178 79 37.8858 80 76.46509 81 20.94782 82 117.3645 83 114.5772 84 105.6174 85 101.1159 86 43.03674 87 120.1583 88 81.28357 89 166.6973 90 43.53359 91 99.06277 92 83.13445 93 59.32927 94 13.89641 95 91.2544 96 113.892 97 108.9808 98 124.6958 99 114.8654 100 123.5568 101 76.07882 102 121.6294 103 96.11781 104 122.4905 105 93.19529 106 96.79619 107 18.9198 108 25.50228 109 142.8107 110 94.35288 111 129.5751 112 44.36744 113 20.22571 114 82.74438 115 118.9771 116 133.141 117 22.27494 118 104.457 119 57.97735 120 58.34656 121 45.34047 122 128.7838
 123 130.1148 124 128.2307 125 24.07945 126 128.2192 127 138.1371 128 171.7672 129 92.6912 130 88.08762 131 79.77602 132 113.8831 133 7.396096 134 23.09675 135 128.8294 136 14.35332 137 33.65448 138 130.1523 139 120.6328 140 69.30706 141 98.47669 142 114.9192 143 108.2092 144 122.8406 145 88.04002 146 121.8142 147 18.18553 148 59.37028 149 14.69165 150 126.5233 151 112.1057 152 109.6156 153 98.45942 154 118.5123 155 87.2042 156 34.51919 157 56.99545 158 139.6781 159 117.7062 160 113.0634 161 51.17708 162 97.31899 163 128.2945 164 16.884 165 14.2148 166 128.2664 167 91.92812 168 22.31652 169 84.02754 170 112.1741 171 109.9531 172 134.7885 173 70.29857 174 41.74602 175 25.19075 176 31.28941 177 118.9803 178 41.16223 179 133.0438 180 11.83447 181
 132.3187 182 18.97615 183 68.31733 184 16.80864 185 15.51738 186 128.8176 187 41.58942 188 16.08467 189 115.6943 190 44.93172 191 30.2813 192 121.8935 193 93.2272 194 126.6514 195 75.75693 196 104.134 197 27.23388 198 127.6181 199 14.98128 200 153.5881 201 115.2747 202 115.2178 203 114.6156 204 36.08 205 19.52899 206 95.57888 207 128.3426 208 120.5144 209 142.782 210 107.6869 211 146.4419 212 14.08279 213 28.18919 214 18.10955 215 125.7855 216 127.2934 217 11.99268 218 149.8892 219 97.96962 220 42.36101 221 117.199 222 114.5248 223 118.3161 224 28.81822 225 88.48995 226 65.44867 227 106.7055 228 96.99858 229 133.4409 230 21.19555 231 29.93088 232 135.2894 233 33.31414 234 89.02916 235 98.71968 236 10.82262 237 81.88072 238 136.1413 239 115.4463
   240 122.07 241 143.953 242 128.1557 243 123.2136 244 89.11572 245 137.0094 246 15.06079 247 39.46396 248 108.9978 249 61.79978 250 131.6009 251 132.8888 252 30.22828 253 22.30424 254 89.62445 255 42.30332 256 77.04288 257 75.62449 258 128.2963 259 7.835329 260 58.23098 261 15.48262 262 112.1376 263 34.80068 264 136.4876 265 94.11915 266 112.3246 267 103.1928 268 114.6219 269 118.0887 270 80.19971 271 116.5414 272 43.76177 273 111.0347 274 115.4802 275 115.4167 276 88.70403 277 109.4768 278 21.33095 279 101.3506 280 61.86596 281 25.42214 282 131.7952 283 69.33384 284 48.74625 285 18.36911 286 143.1346 287 34.31293 288 29.13534 289 89.82462 290 100.7284 291 27.12589 292 48.77321 293 45.0545 294 119.8089 295 91.05295 296 54.66884 297 53.3176 298
 117.0144 299 101.766 300 33.95909 301 51.98851 302 102.432 303 109.1634 304 117.5335 305 105.5238 306 24.82361 307 96.90172 308 111.7148 309 114.7685 310 24.49236 311 92.15655 312 113.6807 313 54.71969 314 154.2682 315 125.4743 316 112.9062 317 85.21341 318 117.2974 319 53.37864 320 27.33977 321 74.59262 322 112.6945 323 99.78869 324 116.9696 325 64.16703 326 129.5383 327 24.76886 328 18.0306 329 107.88 330 94.57142 331 20.34403 332 65.1691 333 36.75193 334 125.5937 335 117.1424 336 121.3353 337 116.8887 338 74.8666 339 108.903 340 93.01747 341 39.37654 342 105.1413 343 109.4877 344 121.875 345 9.498829 346 25.57942 347 110.7135 348 98.36435 349 131.4614 350 72.85152 351 25.84953 352 118.5392 353 7.911137 354 115.9059 355 122.248 356 68.55496
 357 147.7642 358 107.8696 359 28.08135 360 108.7568 361 68.14322 362 45.11588 363 137.88 364 127.5891 365 127.4967 366 90.97025 367 113.3418 368 103.813 369 37.95598 370 106.8584 371 30.68955 372 132.4881 373 77.91843 374 116.9409 375 39.8262 376 79.89694 377 111.4682 378 71.23987 379 107.7111 380 34.61683 381 25.42315 382 157.9961 383 32.4608 384 130.6995 385 71.71807 386 19.72242 387 116.6703 388 104.106 389 41.04955 390 115.9908 391 96.00037 392 43.52518 393 96.41156 394 96.02939 395 117.8325 396 124.0236 397 116.7559 398 134.4068 399 25.84893 400 121.7294 401 124.474 402 108.0738 403 20.64271 404 102.1642 405 93.02476 406 107.5109 407 125.6869 408 113.5157 409 115.4497 410 110.3633 411 142.6768 412 104.8171 413 110.9789 414 143.8899 415
 124.0029 416 32.01406 417 66.03968 418 5.307277 419 149.5896 420 9.04594 421 100.9246 422 149.0531 423 89.74871 424 120.2448 425 73.80318 426 79.22182 427 19.10906 428 139.1403 429 139.1261 430 134.9227 431 123.4347 432 109.0447 433 121.3382 434 30.39146 435 98.52857 436 105.194 437 136.5618 438 62.90738 439 91.5841 440 120.5245 441 159.8176 442 36.75315 443 43.05691 444 59.15095 445 56.49939 446 103.4656 447 30.98879 448 111.0416 449 55.63618 450 128.5739 451 109.9657 452 111.7576 453 44.29037 454 36.48148 455 122.6475 456 136.8148 457 138.3582 458 116.8242 459 90.5567 460 122.9579 461 21.29726 462 110.3152 463 58.11263 464 110.6229 465 88.73804 466 135.8159 467 16.54765 468 103.4255 469 121.0192 470 115.0201 471 141.8336 472 24.26484 473
 98.27019 474 9.943719 475 54.65666 476 101.9033 477 68.14874 478 122.496 479 102.6687 480 13.62095 481 117.0874 482 57.70394 483 45.21032 484 43.86339 485 102.6552 486 114.8979 487 103.2601 488 130.2681 489 36.2898 490 133.8104 491 26.45753 492 46.22599 493 119.723 494 87.63083 495 48.17217 496 33.86068 497 123.0086 498 127.8133 499 50.40858 500 112.401
   
  The results seem strange and i was wondering where i went wrong in my input commands for the pucker function. The topology file is attached

       
---------------------------------
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       1 2 3 4 4 3 4 5 3 6
       7 8 9 8 10 8 7 11 11 7
       8 12 3 4 3 13 13 5 14 12
      12 5 3 4 4 3 4 5 3 6
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      12 5 3 4 4 3 4 5 3 6
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      11 7 8 15 7 8 3 4 3 13
      13 5 14 12 12 5 3 4 4 3
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      12 7 11 8 7 11 11 7 8 3
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       8 3 13 13 13 8 12 7 11 8
      12 3 4 3 13 13 5 14 12 12
       5 3 4 4 3 4 5 3 6 7
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      11 8 12 3 4 3 13 13 5 14
      12 12 5 3 4 4 3 4 5 3
       6 7 8 15 7 8 8 12 7 11
       8 7 11 11 7 8 3 4 3 13
      13 5 14 12 12 5 3 4 4 3
       4 5 3 6 7 8 15 7 8 8
      12 7 11 8 7 11 11 7 8 3
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      10 8 7 11 11 7 8 12 3 4
       3 13 13 5 14 12 12 5 3 4
       4 3 4 5 3 6 7 8 9 8
      10 8 7 11 11 7 8 12 3 4
       3 13 13 5 14 12 12 5 3 4
       4 3 4 5 3 6 7 8 15 7
       8 8 7 11 11 7 8 15 7 8
       3 4 3 13 13 5 14 12 12 5
       3 4 4 3 4 5 3 6 7 8
      15 7 8 8 7 11 11 7 8 15
       7 8 3 4 3 13 13 5 14 12
      12 5 3 4 4 3 4 5 3 6
       7 8 9 8 10 8 7 11 11 7
       8 12 3 4 3 13 13 5 14 12
      12 5 3 4 4 3 4 5 3 6
       7 8 15 7 8 8 12 7 11 8
       7 11 11 7 8 3 4 3 13 13
       5 14 12 12 5 3 4 4 3 4
       5 3 6 7 8 9 8 3 13 13
      13 8 12 7 11 8 12 3 4 3
      13 13 5 14 12 12 5 3 4 4
       3 4 5 3 6 7 8 9 8 3
      13 13 13 8 12 7 11 8 12 3
       4 3 13 13 5 14 12 12 5 3
       4 4 3 4 5 3 6 7 8 15
       7 8 8 12 7 11 8 7 11 11
       7 8 3 4 3 13 13 5 14 12
      12 5 3 4 4 3 4 5 3 6
       7 8 15 7 8 8 12 7 11 8
       7 11 11 7 8 3 4 3 13 13
       2 1
%FLAG NUMBER_EXCLUDED_ATOMS
%FORMAT(10I8)
       5 7 10 5 4 12 6 11 14 7
      12 9 4 7 3 6 4 2 1 2
       2 1 9 5 4 2 1 5 7 3
       2 7 10 5 4 12 6 11 14 7
      12 9 4 7 3 6 4 2 1 2
       2 1 9 5 4 2 1 5 7 3
       2 7 10 5 4 12 6 11 14 7
      12 7 3 6 8 8 5 2 1 4
       3 2 1 1 9 5 4 2 1 5
       7 3 2 7 10 5 4 12 6 11
      14 7 12 7 3 6 8 8 5 2
       1 4 3 2 1 1 9 5 4 2
       1 5 7 3 2 7 10 5 4 12
       6 11 14 7 12 9 4 7 3 6
       4 2 1 2 2 1 9 5 4 2
       1 5 7 3 2 7 10 5 4 12
       6 11 14 7 12 7 3 6 7 7
       4 7 3 5 4 2 1 1 1 9
       5 4 2 1 5 7 3 2 7 10
       5 4 12 6 11 14 7 13 12 4
       9 6 3 2 1 5 3 3 2 2
       1 9 5 4 2 1 5 7 3 2
       7 10 5 4 12 6 11 14 7 13
      12 4 9 6 3 2 1 5 3 3
       2 2 1 9 5 4 2 1 5 7
       3 2 7 10 5 4 12 6 11 14
       7 12 7 3 6 7 7 4 7 3
       5 4 2 1 1 1 9 5 4 2
       1 5 7 3 2 7 10 5 4 12
       6 11 14 7 12 7 3 6 7 7
       4 7 3 5 4 2 1 1 1 6
       5 4 2 1 1 1 5 7 10 5
       4 12 6 11 14 7 12 9 4 7
       3 6 4 2 1 2 2 1 9 5
       4 2 1 5 7 3 2 7 10 5
       4 12 6 11 14 7 12 9 4 7
       3 6 4 2 1 2 2 1 9 5
       4 2 1 5 7 3 2 7 10 5
       4 12 6 11 14 7 12 7 3 6
       8 8 5 2 1 4 3 2 1 1
       9 5 4 2 1 5 7 3 2 7
      10 5 4 12 6 11 14 7 12 7
       3 6 8 8 5 2 1 4 3 2
       1 1 9 5 4 2 1 5 7 3
       2 7 10 5 4 12 6 11 14 7
      12 9 4 7 3 6 4 2 1 2
       2 1 9 5 4 2 1 5 7 3
       2 7 10 5 4 12 6 11 14 7
      12 7 3 6 7 7 4 7 3 5
       4 2 1 1 1 9 5 4 2 1
       5 7 3 2 7 10 5 4 12 6
      11 14 7 13 12 4 9 6 3 2
       1 5 3 3 2 2 1 9 5 4
       2 1 5 7 3 2 7 10 5 4
      12 6 11 14 7 13 12 4 9 6
       3 2 1 5 3 3 2 2 1 9
       5 4 2 1 5 7 3 2 7 10
       5 4 12 6 11 14 7 12 7 3
       6 7 7 4 7 3 5 4 2 1
       1 1 9 5 4 2 1 5 7 3
       2 7 10 5 4 12 6 11 14 7
      12 7 3 6 7 7 4 7 3 5
       4 2 1 1 1 6 5 4 2 1
       1 1
%FLAG NONBONDED_PARM_INDEX
%FORMAT(10I8)
       1 2 4 7 11 16 22 29 37 46
      56 67 79 92 106 2 3 5 8 12
      17 23 30 38 47 57 68 80 93 107
       4 5 6 9 13 18 24 31 39 48
      58 69 81 94 108 7 8 9 10 14
      19 25 32 40 49 59 70 82 95 109
      11 12 13 14 15 20 26 33 41 50
      60 71 83 96 110 16 17 18 19 20
      21 27 34 42 51 61 72 84 97 111
      22 23 24 25 26 27 28 35 43 52
      62 73 85 98 112 29 30 31 32 33
      34 35 36 44 53 63 74 86 99 113
      37 38 39 40 41 42 43 44 45 54
      64 75 87 100 114 46 47 48 49 50
      51 52 53 54 55 65 76 88 101 115
      56 57 58 59 60 61 62 63 64 65
      66 77 89 102 116 67 68 69 70 71
      72 73 74 75 76 77 78 90 103 117
      79 80 81 82 83 84 85 86 87 88
      89 90 91 104 118 92 93 94 95 96
      97 98 99 100 101 102 103 104 105 119
     106 107 108 109 110 111 112 113 114 115
     116 117 118 119 120
%FLAG RESIDUE_LABEL
%FORMAT(20a4)
DC5 DC DA DA DC DG DT DT DG DG3 DC5 DC DA DA DC DG DT DT DG DG3
%FLAG RESIDUE_POINTER
%FORMAT(10I8)
       1 29 59 91 123 153 186 218 250 283
     317 345 375 407 439 469 502 534 566 599
%FLAG BOND_FORCE_CONSTANT
%FORMAT(5E16.8)
  2.30000000E+02 3.40000000E+02 3.40000000E+02 3.10000000E+02 3.20000000E+02
  5.70000000E+02 4.57000000E+02 4.34000000E+02 4.81000000E+02 4.83000000E+02
  3.67000000E+02 4.27000000E+02 3.67000000E+02 5.49000000E+02 4.48000000E+02
  4.24000000E+02 3.40000000E+02 3.37000000E+02 3.20000000E+02 5.53000000E+02
  5.25000000E+02 4.61000000E+02 3.67000000E+02 5.02000000E+02 4.69000000E+02
  5.20000000E+02 4.14000000E+02 3.67000000E+02 5.29000000E+02 4.40000000E+02
  4.36000000E+02 4.34000000E+02 4.27000000E+02 4.18000000E+02 4.47000000E+02
  3.17000000E+02 4.10000000E+02
%FLAG BOND_EQUIL_VALUE
%FORMAT(5E16.8)
  1.61000000E+00 1.09000000E+00 1.09000000E+00 1.52600000E+00 1.41000000E+00
  1.22900000E+00 1.35800000E+00 1.01000000E+00 1.34000000E+00 1.33900000E+00
  1.08000000E+00 1.43300000E+00 1.08000000E+00 1.35000000E+00 1.36500000E+00
  1.38300000E+00 1.09000000E+00 1.47500000E+00 1.41000000E+00 9.60000000E-01
  1.48000000E+00 1.35400000E+00 1.08000000E+00 1.32400000E+00 1.40400000E+00
  1.37000000E+00 1.39100000E+00 1.08000000E+00 1.30400000E+00 1.37100000E+00
  1.37400000E+00 1.01000000E+00 1.38100000E+00 1.38800000E+00 1.41900000E+00
  1.51000000E+00 1.44400000E+00
%FLAG ANGLE_FORCE_CONSTANT
%FORMAT(5E16.8)
  1.00000000E+02 4.50000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01
  5.00000000E+01 5.00000000E+01 1.00000000E+02 8.00000000E+01 3.50000000E+01
  7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01
  7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01
  5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01
  5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 4.00000000E+01
  5.00000000E+01 5.00000000E+01 6.00000000E+01 3.50000000E+01 5.00000000E+01
  5.00000000E+01 5.50000000E+01 1.40000000E+02 5.00000000E+01 7.00000000E+01
  7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01
  7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01
  7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01
  7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01
  7.00000000E+01 8.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01
  8.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01
  5.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01
  7.00000000E+01
%FLAG ANGLE_EQUIL_VALUE
%FORMAT(5E16.8)
  1.88897066E+00 1.79070858E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00
  1.91113635E+00 1.91113635E+00 2.10312265E+00 2.13802925E+00 2.09439600E+00
  2.08217869E+00 2.09439600E+00 2.10312265E+00 2.15199189E+00 2.09614133E+00
  2.12057595E+00 2.08916001E+00 2.12232128E+00 2.08916001E+00 2.04203610E+00
  1.91113635E+00 2.07868803E+00 2.11533996E+00 2.06996138E+00 2.11010397E+00
  1.91113635E+00 1.91113635E+00 2.11533996E+00 2.05250808E+00 1.91113635E+00
  1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00
  1.91113635E+00 1.89368305E+00 2.09265067E+00 2.01498349E+00 1.93731630E+00
  2.25322103E+00 2.04727209E+00 2.06996138E+00 2.15548255E+00 2.04727209E+00
  2.22878641E+00 2.31081692E+00 1.92684432E+00 2.14762857E+00 1.83957782E+00
  1.81165254E+00 2.14762857E+00 1.98793087E+00 1.85354046E+00 2.20260646E+00
  2.24798504E+00 2.19562514E+00 1.95826026E+00 2.05948940E+00 2.02458280E+00
  2.15199189E+00 2.10486798E+00 2.08043336E+00 2.03854544E+00 2.18515316E+00
  2.24798504E+00 1.94255229E+00 2.26892900E+00 2.20609712E+00 2.08916001E+00
  1.91113635E+00 2.18689849E+00 1.99142153E+00 2.08916001E+00 2.10661331E+00
  2.01411082E+00
%FLAG DIHEDRAL_FORCE_CONSTANT
%FORMAT(5E16.8)
  1.20000000E+00 2.50000000E-01 2.50000000E-01 3.83333333E-01 1.55555556E-01
  0.00000000E+00 2.40000000E+00 4.80000000E+00 4.00000000E+00 2.55000000E+00
  1.85000000E+00 6.65000000E+00 1.45000000E+00 1.00000000E-01 3.83000000E-01
  1.17500000E+00 1.44000000E-01 2.50000000E+00 6.50000000E-01 2.00000000E-01
  2.50000000E-01 1.80000000E-01 1.60000000E-01 1.66666667E-01 6.80000000E+00
  3.50000000E+00 5.45000000E+00 4.15000000E+00 1.70000000E+00 1.00000000E+01
  1.65000000E+00 1.50000000E+00 3.00000000E+00 1.35000000E+00 0.00000000E+00
  2.17500000E+00 1.15000000E+00 3.80000000E-01 3.00000000E-01 1.05000000E+01
  1.00000000E+00 1.10000000E+00
%FLAG DIHEDRAL_PERIODICITY
%FORMAT(5E16.8)
  2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00
  2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00
  2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00
  2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00
  2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00
  2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00
  2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00
  2.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00
  2.00000000E+00 2.00000000E+00
%FLAG DIHEDRAL_PHASE
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00
  3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00
  3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00
  3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00
  3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00
  3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00
  3.14159400E+00 3.14159400E+00
%FLAG SOLTY
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG LENNARD_JONES_ACOEF
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00 5.81803229E+05 0.00000000E+00 7.91544157E+05
  1.04308023E+06 0.00000000E+00 4.66922514E+04 6.78771368E+04 3.25969625E+03
  0.00000000E+00 4.58874091E+05 6.28541240E+05 3.63097246E+04 3.61397723E+05
  0.00000000E+00 3.15360051E+04 4.68930885E+04 2.09814978E+03 2.44050579E+04
  1.32801250E+03 0.00000000E+00 7.44975864E+05 9.95480466E+05 6.20665997E+04
  5.89818288E+05 4.24594555E+04 9.44293233E+05 0.00000000E+00 7.01803794E+05
  9.24822270E+05 6.01816484E+04 5.57281136E+05 4.15766412E+04 8.82619071E+05
  8.19971662E+05 0.00000000E+00 4.96707306E+04 7.18621074E+04 3.50301067E+03
  3.86654993E+04 2.26273716E+03 6.58473870E+04 6.37148278E+04 3.76169105E+03
  0.00000000E+00 6.00750218E+04 8.59947003E+04 4.33325458E+03 4.68711055E+04
  2.82099197E+03 7.91627154E+04 7.62451550E+04 4.64559155E+03 5.71629601E+03
  0.00000000E+00 1.40467023E+03 2.56678134E+03 5.94667300E+01 1.03954408E+03
  3.20009193E+01 2.12601181E+03 2.27577561E+03 6.63368273E+01 8.90987508E+01
  1.39982777E-01 0.00000000E+00 4.71003287E+05 6.47841731E+05 3.69471530E+04
  3.70622491E+05 2.47595516E+04 6.06829342E+05 5.74393458E+05 3.93690817E+04
  4.77908183E+04 1.02595236E+03 3.79876399E+05 0.00000000E+00 6.82786631E+04
  9.71708117E+04 4.98586848E+03 5.33379252E+04 3.25969625E+03 8.96776989E+04
  8.61541883E+04 5.34045360E+03 6.55825601E+03 1.07193646E+02 5.44261042E+04
  7.51607703E+03 0.00000000E+00 1.98683736E+06 2.54188684E+06 1.81087383E+05
  1.58759528E+06 1.27716552E+05 2.45746558E+06 2.25370349E+06 1.90880272E+05
  2.26202022E+05 8.41065839E+03 1.64263766E+06 2.54238516E+05 6.02589390E+06
  0.00000000E+00 4.09427581E+04 5.98885646E+04 2.82099197E+03 3.17965283E+04
  1.80748014E+03 5.46147253E+04 5.30987710E+04 3.03448006E+03 3.76169105E+03
  4.90239937E+01 3.23283631E+04 4.33325458E+03 1.60682053E+05 2.43828624E+03
%FLAG LENNARD_JONES_BCOEF
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00 6.99746810E+02 0.00000000E+00 6.93079947E+02
  6.75612247E+02 0.00000000E+00 1.03606917E+02 1.06076943E+02 1.43076527E+01
  0.00000000E+00 5.89183300E+02 5.85549272E+02 8.66220817E+01 4.95732238E+02
  0.00000000E+00 8.51470647E+01 8.81685417E+01 1.14788417E+01 7.10161395E+01
  9.13231543E+00 0.00000000E+00 7.50714425E+02 7.36907417E+02 1.13252061E+02
  6.33305958E+02 9.36708259E+01 8.01323529E+02 0.00000000E+00 6.14502845E+02
  5.99015525E+02 9.40505980E+01 5.19163331E+02 7.81725398E+01 6.53361429E+02
  5.31102864E+02 0.00000000E+00 1.05648788E+02 1.07908863E+02 1.46638650E+01
  8.83744760E+01 1.17854122E+01 1.15327881E+02 9.56748258E+01 1.50233639E+01
  0.00000000E+00 1.16187983E+02 1.18043746E+02 1.63092814E+01 9.73010751E+01
  1.31591746E+01 1.26451907E+02 1.04660679E+02 1.66953734E+01 1.85196588E+01
  0.00000000E+00 1.79702257E+01 2.06278363E+01 1.93248820E+00 1.46567808E+01
  1.41762397E+00 2.09604198E+01 1.82891803E+01 2.01792524E+00 2.33864085E+00
  9.37598976E-02 0.00000000E+00 6.29300710E+02 6.26720080E+02 9.21192136E+01
  5.29252520E+02 7.54103785E+01 6.77220874E+02 5.55666448E+02 9.40124296E+01
  1.03580945E+02 1.53505284E+01 5.64885984E+02 0.00000000E+00 1.25287818E+02
  1.26919150E+02 1.76949863E+01 1.04986921E+02 1.43076527E+01 1.36131731E+02
  1.12529845E+02 1.81057616E+01 2.00642027E+01 2.59456373E+00 1.11805549E+02
  2.17257828E+01 0.00000000E+00 1.27682121E+03 1.22636552E+03 2.01468199E+02
  1.08210555E+03 1.69194406E+02 1.34630496E+03 1.08732781E+03 2.04498832E+02
  2.22617115E+02 4.34187588E+01 1.16041466E+03 2.38716853E+02 2.19561270E+03
  0.00000000E+00 9.59185913E+01 9.85097219E+01 1.31591746E+01 8.01410250E+01
  1.05333009E+01 1.05031585E+02 8.73413012E+01 1.34932874E+01 1.50233639E+01
  1.73473071E+00 8.51921330E+01 1.63092814E+01 1.87626421E+02 1.20953369E+01
%FLAG BONDS_INC_HYDROGEN
%FORMAT(10I8)
      72 75 2 72 78 2 66 69 3 48
      51 8 48 54 8 39 42 11 33 36
      13 24 27 17 15 18 3 6 9 3
       6 12 3 0 3 20 162 165 2 162
     168 2 156 159 3 138 141 8 138 144
       8 129 132 11 123 126 13 114 117 17
     105 108 3 96 99 3 96 102 3 258
     261 2 258 264 2 252 255 3 240 243
      23 228 231 8 228 234 8 213 216 28
     204 207 17 195 198 3 186 189 3 186
     192 3 354 357 2 354 360 2 348 351
       3 336 339 23 324 327 8 324 330 8
     309 312 28 300 303 17 291 294 3 282
     285 3 282 288 3 444 447 2 444 450
       2 438 441 3 420 423 8 420 426 8
     411 414 11 405 408 13 396 399 17 387
     390 3 378 381 3 378 384 3 543 546
       2 543 549 2 537 540 3 522 525 8
     522 528 8 513 516 32 495 498 28 486
     489 17 477 480 3 468 471 3 468 474
       3 639 642 2 639 645 2 633 636 3
     621 624 32 603 606 2 603 609 2 603
     612 2 594 597 13 585 588 17 576 579
       3 567 570 3 567 573 3 735 738 2
     735 741 2 729 732 3 717 720 32 699
     702 2 699 705 2 699 708 2 690 693
      13 681 684 17 672 675 3 663 666 3
     663 669 3 834 837 2 834 840 2 828
     831 3 813 816 8 813 819 8 804 807
      32 786 789 28 777 780 17 768 771 3
     759 762 3 759 765 3 942 945 20 933
     936 2 933 939 2 927 930 3 912 915
       8 912 918 8 903 906 32 885 888 28
     876 879 17 867 870 3 858 861 3 858
     864 3 1020 1023 2 1020 1026 2 1014 1017
       3 996 999 8 996 1002 8 987 990 11
     981 984 13 972 975 17 963 966 3 954
     957 3 954 960 3 948 951 20 1110 1113
       2 1110 1116 2 1104 1107 3 1086 1089 8
    1086 1092 8 1077 1080 11 1071 1074 13 1062
    1065 17 1053 1056 3 1044 1047 3 1044 1050
       3 1206 1209 2 1206 1212 2 1200 1203 3
    1188 1191 23 1176 1179 8 1176 1182 8 1161
    1164 28 1152 1155 17 1143 1146 3 1134 1137
       3 1134 1140 3 1302 1305 2 1302 1308 2
    1296 1299 3 1284 1287 23 1272 1275 8 1272
    1278 8 1257 1260 28 1248 1251 17 1239 1242
       3 1230 1233 3 1230 1236 3 1392 1395 2
    1392 1398 2 1386 1389 3 1368 1371 8 1368
    1374 8 1359 1362 11 1353 1356 13 1344 1347
      17 1335 1338 3 1326 1329 3 1326 1332 3
    1491 1494 2 1491 1497 2 1485 1488 3 1470
    1473 8 1470 1476 8 1461 1464 32 1443 1446
      28 1434 1437 17 1425 1428 3 1416 1419 3
    1416 1422 3 1587 1590 2 1587 1593 2 1581
    1584 3 1569 1572 32 1551 1554 2 1551 1557
       2 1551 1560 2 1542 1545 13 1533 1536 17
    1524 1527 3 1515 1518 3 1515 1521 3 1683
    1686 2 1683 1689 2 1677 1680 3 1665 1668
      32 1647 1650 2 1647 1653 2 1647 1656 2
    1638 1641 13 1629 1632 17 1620 1623 3 1611
    1614 3 1611 1617 3 1782 1785 2 1782 1788
       2 1776 1779 3 1761 1764 8 1761 1767 8
    1752 1755 32 1734 1737 28 1725 1728 17 1716
    1719 3 1707 1710 3 1707 1713 3 1890 1893
      20 1881 1884 2 1881 1887 2 1875 1878 3
    1860 1863 8 1860 1866 8 1851 1854 32 1833
    1836 28 1824 1827 17 1815 1818 3 1806 1809
       3 1806 1812 3
%FLAG BONDS_WITHOUT_HYDROGEN
%FORMAT(10I8)
      81 84 1 66 72 4 66 81 5 60
      63 6 57 60 7 45 48 9 45 57
      10 39 45 12 33 39 14 30 33 15
      30 60 16 24 30 18 24 72 4 21
      24 5 15 21 5 15 66 4 6 15
       4 3 6 19 171 174 1 156 162 4
     156 171 5 150 153 6 147 150 7 135
     138 9 135 147 10 129 135 12 123 129
      14 120 123 15 120 150 16 114 120 18
     114 162 4 111 114 5 105 111 5 105
     156 4 96 105 4 93 96 5 84 87
      21 84 90 21 84 93 1 267 270 1
     252 258 4 252 267 5 246 249 22 240
     246 24 237 240 24 225 228 9 225 237
      10 222 225 25 222 249 26 219 222 27
     213 219 29 210 213 30 210 249 31 204
     210 18 204 258 4 201 204 5 195 201
       5 195 252 4 186 195 4 183 186 5
     174 177 21 174 180 21 174 183 1 363
     366 1 348 354 4 348 363 5 342 345
      22 336 342 24 333 336 24 321 324 9
     321 333 10 318 321 25 318 345 26 315
     318 27 309 315 29 306 309 30 306 345
      31 300 306 18 300 354 4 297 300 5
     291 297 5 291 348 4 282 291 4 279
     282 5 270 273 21 270 276 21 270 279
       1 453 456 1 438 444 4 438 453 5
     432 435 6 429 432 7 417 420 9 417
     429 10 411 417 12 405 411 14 402 405
      15 402 432 16 396 402 18 396 444 4
     393 396 5 387 393 5 387 438 4 378
     387 4 375 378 5 366 369 21 366 372
      21 366 375 1 552 555 1 537 543 4
     537 552 5 531 534 22 519 522 9 519
     531 10 513 519 33 507 510 6 507 513
      34 504 507 35 504 534 26 501 504 27
     495 501 29 492 495 30 492 534 31 486
     492 18 486 543 4 483 486 5 477 483
       5 477 537 4 468 477 4 465 468 5
     456 459 21 456 462 21 456 465 1 648
     651 1 633 639 4 633 648 5 627 630
       6 621 627 34 615 618 6 615 621 34
     600 603 36 600 615 37 594 600 14 591
     594 15 591 627 16 585 591 18 585 639
       4 582 585 5 576 582 5 576 633 4
     567 576 4 564 567 5 555 558 21 555
     561 21 555 564 1 744 747 1 729 735
       4 729 744 5 723 726 6 717 723 34
     711 714 6 711 717 34 696 699 36 696
     711 37 690 696 14 687 690 15 687 723
      16 681 687 18 681 735 4 678 681 5
     672 678 5 672 729 4 663 672 4 660
     663 5 651 654 21 651 657 21 651 660
       1 843 846 1 828 834 4 828 843 5
     822 825 22 810 813 9 810 822 10 804
     810 33 798 801 6 798 804 34 795 798
      35 795 825 26 792 795 27 786 792 29
     783 786 30 783 825 31 777 783 18 777
     834 4 774 777 5 768 774 5 768 828
       4 759 768 4 756 759 5 747 750 21
     747 753 21 747 756 1 927 933 4 927
     942 19 921 924 22 909 912 9 909 921
      10 903 909 33 897 900 6 897 903 34
     894 897 35 894 924 26 891 894 27 885
     891 29 882 885 30 882 924 31 876 882
      18 876 933 4 873 876 5 867 873 5
     867 927 4 858 867 4 855 858 5 846
     849 21 846 852 21 846 855 1 1029 1032
       1 1014 1020 4 1014 1029 5 1008 1011 6
    1005 1008 7 993 996 9 993 1005 10 987
     993 12 981 987 14 978 981 15 978 1008
      16 972 978 18 972 1020 4 969 972 5
     963 969 5 963 1014 4 954 963 4 951
     954 19 1119 1122 1 1104 1110 4 1104 1119
       5 1098 1101 6 1095 1098 7 1083 1086 9
    1083 1095 10 1077 1083 12 1071 1077 14 1068
    1071 15 1068 1098 16 1062 1068 18 1062 1110
       4 1059 1062 5 1053 1059 5 1053 1104 4
    1044 1053 4 1041 1044 5 1032 1035 21 1032
    1038 21 1032 1041 1 1215 1218 1 1200 1206
       4 1200 1215 5 1194 1197 22 1188 1194 24
    1185 1188 24 1173 1176 9 1173 1185 10 1170
    1173 25 1170 1197 26 1167 1170 27 1161 1167
      29 1158 1161 30 1158 1197 31 1152 1158 18
    1152 1206 4 1149 1152 5 1143 1149 5 1143
    1200 4 1134 1143 4 1131 1134 5 1122 1125
      21 1122 1128 21 1122 1131 1 1311 1314 1
    1296 1302 4 1296 1311 5 1290 1293 22 1284
    1290 24 1281 1284 24 1269 1272 9 1269 1281
      10 1266 1269 25 1266 1293 26 1263 1266 27
    1257 1263 29 1254 1257 30 1254 1293 31 1248
    1254 18 1248 1302 4 1245 1248 5 1239 1245
       5 1239 1296 4 1230 1239 4 1227 1230 5
    1218 1221 21 1218 1224 21 1218 1227 1 1401
    1404 1 1386 1392 4 1386 1401 5 1380 1383
       6 1377 1380 7 1365 1368 9 1365 1377 10
    1359 1365 12 1353 1359 14 1350 1353 15 1350
    1380 16 1344 1350 18 1344 1392 4 1341 1344
       5 1335 1341 5 1335 1386 4 1326 1335 4
    1323 1326 5 1314 1317 21 1314 1320 21 1314
    1323 1 1500 1503 1 1485 1491 4 1485 1500
       5 1479 1482 22 1467 1470 9 1467 1479 10
    1461 1467 33 1455 1458 6 1455 1461 34 1452
    1455 35 1452 1482 26 1449 1452 27 1443 1449
      29 1440 1443 30 1440 1482 31 1434 1440 18
    1434 1491 4 1431 1434 5 1425 1431 5 1425
    1485 4 1416 1425 4 1413 1416 5 1404 1407
      21 1404 1410 21 1404 1413 1 1596 1599 1
    1581 1587 4 1581 1596 5 1575 1578 6 1569
    1575 34 1563 1566 6 1563 1569 34 1548 1551
      36 1548 1563 37 1542 1548 14 1539 1542 15
    1539 1575 16 1533 1539 18 1533 1587 4 1530
    1533 5 1524 1530 5 1524 1581 4 1515 1524
       4 1512 1515 5 1503 1506 21 1503 1509 21
    1503 1512 1 1692 1695 1 1677 1683 4 1677
    1692 5 1671 1674 6 1665 1671 34 1659 1662
       6 1659 1665 34 1644 1647 36 1644 1659 37
    1638 1644 14 1635 1638 15 1635 1671 16 1629
    1635 18 1629 1683 4 1626 1629 5 1620 1626
       5 1620 1677 4 1611 1620 4 1608 1611 5
    1599 1602 21 1599 1605 21 1599 1608 1 1791
    1794 1 1776 1782 4 1776 1791 5 1770 1773
      22 1758 1761 9 1758 1770 10 1752 1758 33
    1746 1749 6 1746 1752 34 1743 1746 35 1743
    1773 26 1740 1743 27 1734 1740 29 1731 1734
      30 1731 1773 31 1725 1731 18 1725 1782 4
    1722 1725 5 1716 1722 5 1716 1776 4 1707
    1716 4 1704 1707 5 1695 1698 21 1695 1701
      21 1695 1704 1 1875 1881 4 1875 1890 19
    1869 1872 22 1857 1860 9 1857 1869 10 1851
    1857 33 1845 1848 6 1845 1851 34 1842 1845
      35 1842 1872 26 1839 1842 27 1833 1839 29
    1830 1833 30 1830 1872 31 1824 1830 18 1824
    1881 4 1821 1824 5 1815 1821 5 1815 1875
       4 1806 1815 4 1803 1806 5 1794 1797 21
    1794 1800 21 1794 1803 1
%FLAG ANGLES_INC_HYDROGEN
%FORMAT(10I8)
      75 72 78 3 69 66 72 5 69 66
      81 6 66 72 75 7 66 72 78 7
      51 48 54 10 45 48 51 12 45 48
      54 12 42 39 45 14 36 33 39 17
      33 39 42 19 30 33 36 22 27 24
      30 26 27 24 72 27 24 72 75 7
      24 72 78 7 21 24 27 31 18 15
      21 6 18 15 66 5 15 66 69 5
      12 6 15 5 9 6 12 34 9 6
      15 5 6 15 18 5 3 6 9 35
       3 6 12 35 0 3 6 37 165 162
     168 3 159 156 162 5 159 156 171 6
     156 162 165 7 156 162 168 7 141 138
     144 10 135 138 141 12 135 138 144 12
     132 129 135 14 126 123 129 17 123 129
     132 19 120 123 126 22 117 114 120 26
     117 114 162 27 114 162 165 7 114 162
     168 7 111 114 117 31 108 105 111 6
     108 105 156 5 105 156 159 5 102 96
     105 5 99 96 102 34 99 96 105 5
      96 105 108 5 93 96 99 6 93 96
     102 6 261 258 264 3 255 252 258 5
     255 252 267 6 252 258 261 7 252 258
     264 7 243 240 246 39 237 240 243 39
     231 228 234 10 225 228 231 12 225 228
     234 12 216 213 219 49 210 213 216 52
     207 204 210 26 207 204 258 27 204 258
     261 7 204 258 264 7 201 204 207 31
     198 195 201 6 198 195 252 5 195 252
     255 5 192 186 195 5 189 186 192 34
     189 186 195 5 186 195 198 5 183 186
     189 6 183 186 192 6 357 354 360 3
     351 348 354 5 351 348 363 6 348 354
     357 7 348 354 360 7 339 336 342 39
     333 336 339 39 327 324 330 10 321 324
     327 12 321 324 330 12 312 309 315 49
     306 309 312 52 303 300 306 26 303 300
     354 27 300 354 357 7 300 354 360 7
     297 300 303 31 294 291 297 6 294 291
     348 5 291 348 351 5 288 282 291 5
     285 282 288 34 285 282 291 5 282 291
     294 5 279 282 285 6 279 282 288 6
     447 444 450 3 441 438 444 5 441 438
     453 6 438 444 447 7 438 444 450 7
     423 420 426 10 417 420 423 12 417 420
     426 12 414 411 417 14 408 405 411 17
     405 411 414 19 402 405 408 22 399 396
     402 26 399 396 444 27 396 444 447 7
     396 444 450 7 393 396 399 31 390 387
     393 6 390 387 438 5 387 438 441 5
     384 378 387 5 381 378 384 34 381 378
     387 5 378 387 390 5 375 378 381 6
     375 378 384 6 546 543 549 3 540 537
     543 5 540 537 552 6 537 543 546 7
     537 543 549 7 525 522 528 10 519 522
     525 12 519 522 528 12 516 513 519 59
     507 513 516 64 498 495 501 49 492 495
     498 52 489 486 492 26 489 486 543 27
     486 543 546 7 486 543 549 7 483 486
     489 31 480 477 483 6 480 477 537 5
     477 537 540 5 474 468 477 5 471 468
     474 34 471 468 477 5 468 477 480 5
     465 468 471 6 465 468 474 6 642 639
     645 3 636 633 639 5 636 633 648 6
     633 639 642 7 633 639 645 7 624 621
     627 64 615 621 624 64 609 603 612 3
     606 603 609 3 606 603 612 3 600 603
     606 71 600 603 609 71 600 603 612 71
     597 594 600 17 591 594 597 22 588 585
     591 26 588 585 639 27 585 639 642 7
     585 639 645 7 582 585 588 31 579 576
     582 6 579 576 633 5 576 633 636 5
     573 567 576 5 570 567 573 34 570 567
     576 5 567 576 579 5 564 567 570 6
     564 567 573 6 738 735 741 3 732 729
     735 5 732 729 744 6 729 735 738 7
     729 735 741 7 720 717 723 64 711 717
     720 64 705 699 708 3 702 699 705 3
     702 699 708 3 696 699 702 71 696 699
     705 71 696 699 708 71 693 690 696 17
     687 690 693 22 684 681 687 26 684 681
     735 27 681 735 738 7 681 735 741 7
     678 681 684 31 675 672 678 6 675 672
     729 5 672 729 732 5 669 663 672 5
     666 663 669 34 666 663 672 5 663 672
     675 5 660 663 666 6 660 663 669 6
     837 834 840 3 831 828 834 5 831 828
     843 6 828 834 837 7 828 834 840 7
     816 813 819 10 810 813 816 12 810 813
     819 12 807 804 810 59 798 804 807 64
     789 786 792 49 783 786 789 52 780 777
     783 26 780 777 834 27 777 834 837 7
     777 834 840 7 774 777 780 31 771 768
     774 6 771 768 828 5 768 828 831 5
     765 759 768 5 762 759 765 34 762 759
     768 5 759 768 771 5 756 759 762 6
     756 759 765 6 936 933 939 3 930 927
     933 5 930 927 942 35 927 933 936 7
     927 933 939 7 927 942 945 37 915 912
     918 10 909 912 915 12 909 912 918 12
     906 903 909 59 897 903 906 64 888 885
     891 49 882 885 888 52 879 876 882 26
     879 876 933 27 876 933 936 7 876 933
     939 7 873 876 879 31 870 867 873 6
     870 867 927 5 867 927 930 5 864 858
     867 5 861 858 864 34 861 858 867 5
     858 867 870 5 855 858 861 6 855 858
     864 6 1023 1020 1026 3 1017 1014 1020 5
    1017 1014 1029 6 1014 1020 1023 7 1014 1020
    1026 7 999 996 1002 10 993 996 999 12
     993 996 1002 12 990 987 993 14 984 981
     987 17 981 987 990 19 978 981 984 22
     975 972 978 26 975 972 1020 27 972 1020
    1023 7 972 1020 1026 7 969 972 975 31
     966 963 969 6 966 963 1014 5 963 1014
    1017 5 960 954 963 5 957 954 960 34
     957 954 963 5 954 963 966 5 951 954
     957 35 951 954 960 35 948 951 954 37
    1113 1110 1116 3 1107 1104 1110 5 1107 1104
    1119 6 1104 1110 1113 7 1104 1110 1116 7
    1089 1086 1092 10 1083 1086 1089 12 1083 1086
    1092 12 1080 1077 1083 14 1074 1071 1077 17
    1071 1077 1080 19 1068 1071 1074 22 1065 1062
    1068 26 1065 1062 1110 27 1062 1110 1113 7
    1062 1110 1116 7 1059 1062 1065 31 1056 1053
    1059 6 1056 1053 1104 5 1053 1104 1107 5
    1050 1044 1053 5 1047 1044 1050 34 1047 1044
    1053 5 1044 1053 1056 5 1041 1044 1047 6
    1041 1044 1050 6 1209 1206 1212 3 1203 1200
    1206 5 1203 1200 1215 6 1200 1206 1209 7
    1200 1206 1212 7 1191 1188 1194 39 1185 1188
    1191 39 1179 1176 1182 10 1173 1176 1179 12
    1173 1176 1182 12 1164 1161 1167 49 1158 1161
    1164 52 1155 1152 1158 26 1155 1152 1206 27
    1152 1206 1209 7 1152 1206 1212 7 1149 1152
    1155 31 1146 1143 1149 6 1146 1143 1200 5
    1143 1200 1203 5 1140 1134 1143 5 1137 1134
    1140 34 1137 1134 1143 5 1134 1143 1146 5
    1131 1134 1137 6 1131 1134 1140 6 1305 1302
    1308 3 1299 1296 1302 5 1299 1296 1311 6
    1296 1302 1305 7 1296 1302 1308 7 1287 1284
    1290 39 1281 1284 1287 39 1275 1272 1278 10
    1269 1272 1275 12 1269 1272 1278 12 1260 1257
    1263 49 1254 1257 1260 52 1251 1248 1254 26
    1251 1248 1302 27 1248 1302 1305 7 1248 1302
    1308 7 1245 1248 1251 31 1242 1239 1245 6
    1242 1239 1296 5 1239 1296 1299 5 1236 1230
    1239 5 1233 1230 1236 34 1233 1230 1239 5
    1230 1239 1242 5 1227 1230 1233 6 1227 1230
    1236 6 1395 1392 1398 3 1389 1386 1392 5
    1389 1386 1401 6 1386 1392 1395 7 1386 1392
    1398 7 1371 1368 1374 10 1365 1368 1371 12
    1365 1368 1374 12 1362 1359 1365 14 1356 1353
    1359 17 1353 1359 1362 19 1350 1353 1356 22
    1347 1344 1350 26 1347 1344 1392 27 1344 1392
    1395 7 1344 1392 1398 7 1341 1344 1347 31
    1338 1335 1341 6 1338 1335 1386 5 1335 1386
    1389 5 1332 1326 1335 5 1329 1326 1332 34
    1329 1326 1335 5 1326 1335 1338 5 1323 1326
    1329 6 1323 1326 1332 6 1494 1491 1497 3
    1488 1485 1491 5 1488 1485 1500 6 1485 1491
    1494 7 1485 1491 1497 7 1473 1470 1476 10
    1467 1470 1473 12 1467 1470 1476 12 1464 1461
    1467 59 1455 1461 1464 64 1446 1443 1449 49
    1440 1443 1446 52 1437 1434 1440 26 1437 1434
    1491 27 1434 1491 1494 7 1434 1491 1497 7
    1431 1434 1437 31 1428 1425 1431 6 1428 1425
    1485 5 1425 1485 1488 5 1422 1416 1425 5
    1419 1416 1422 34 1419 1416 1425 5 1416 1425
    1428 5 1413 1416 1419 6 1413 1416 1422 6
    1590 1587 1593 3 1584 1581 1587 5 1584 1581
    1596 6 1581 1587 1590 7 1581 1587 1593 7
    1572 1569 1575 64 1563 1569 1572 64 1557 1551
    1560 3 1554 1551 1557 3 1554 1551 1560 3
    1548 1551 1554 71 1548 1551 1557 71 1548 1551
    1560 71 1545 1542 1548 17 1539 1542 1545 22
    1536 1533 1539 26 1536 1533 1587 27 1533 1587
    1590 7 1533 1587 1593 7 1530 1533 1536 31
    1527 1524 1530 6 1527 1524 1581 5 1524 1581
    1584 5 1521 1515 1524 5 1518 1515 1521 34
    1518 1515 1524 5 1515 1524 1527 5 1512 1515
    1518 6 1512 1515 1521 6 1686 1683 1689 3
    1680 1677 1683 5 1680 1677 1692 6 1677 1683
    1686 7 1677 1683 1689 7 1668 1665 1671 64
    1659 1665 1668 64 1653 1647 1656 3 1650 1647
    1653 3 1650 1647 1656 3 1644 1647 1650 71
    1644 1647 1653 71 1644 1647 1656 71 1641 1638
    1644 17 1635 1638 1641 22 1632 1629 1635 26
    1632 1629 1683 27 1629 1683 1686 7 1629 1683
    1689 7 1626 1629 1632 31 1623 1620 1626 6
    1623 1620 1677 5 1620 1677 1680 5 1617 1611
    1620 5 1614 1611 1617 34 1614 1611 1620 5
    1611 1620 1623 5 1608 1611 1614 6 1608 1611
    1617 6 1785 1782 1788 3 1779 1776 1782 5
    1779 1776 1791 6 1776 1782 1785 7 1776 1782
    1788 7 1764 1761 1767 10 1758 1761 1764 12
    1758 1761 1767 12 1755 1752 1758 59 1746 1752
    1755 64 1737 1734 1740 49 1731 1734 1737 52
    1728 1725 1731 26 1728 1725 1782 27 1725 1782
    1785 7 1725 1782 1788 7 1722 1725 1728 31
    1719 1716 1722 6 1719 1716 1776 5 1716 1776
    1779 5 1713 1707 1716 5 1710 1707 1713 34
    1710 1707 1716 5 1707 1716 1719 5 1704 1707
    1710 6 1704 1707 1713 6 1884 1881 1887 3
    1878 1875 1881 5 1878 1875 1890 35 1875 1881
    1884 7 1875 1881 1887 7 1875 1890 1893 37
    1863 1860 1866 10 1857 1860 1863 12 1857 1860
    1866 12 1854 1851 1857 59 1845 1851 1854 64
    1836 1833 1839 49 1830 1833 1836 52 1827 1824
    1830 26 1827 1824 1881 27 1824 1881 1884 7
    1824 1881 1887 7 1821 1824 1827 31 1818 1815
    1821 6 1818 1815 1875 5 1815 1875 1878 5
    1812 1806 1815 5 1809 1806 1812 34 1809 1806
    1815 5 1806 1815 1818 5 1803 1806 1809 6
    1803 1806 1812 6
%FLAG ANGLES_WITHOUT_HYDROGEN
%FORMAT(10I8)
      81 84 87 1 81 84 90 1 81 84
      93 2 72 66 81 4 66 81 84 8
      57 60 63 9 48 45 57 11 45 57
      60 13 39 45 48 15 39 45 57 16
      33 30 60 18 33 39 45 20 30 24
      72 21 30 33 39 23 30 60 57 24
      30 60 63 25 24 30 33 28 24 30
      60 29 24 72 66 30 21 15 66 4
      21 24 30 32 21 24 72 4 15 21
      24 33 15 66 72 30 15 66 81 4
       6 15 21 4 6 15 66 30 3 6
      15 36 171 174 177 1 171 174 180 1
     171 174 183 2 162 156 171 4 156 171
     174 8 147 150 153 9 138 135 147 11
     135 147 150 13 129 135 138 15 129 135
     147 16 123 120 150 18 123 129 135 20
     120 114 162 21 120 123 129 23 120 150
     147 24 120 150 153 25 114 120 123 28
     114 120 150 29 114 162 156 30 111 105
     156 4 111 114 120 32 111 114 162 4
     105 111 114 33 105 156 162 30 105 156
     171 4 96 105 111 4 96 105 156 30
      93 96 105 4 90 84 93 1 87 84
      90 38 87 84 93 1 84 93 96 8
     267 270 273 1 267 270 276 1 267 270
     279 2 258 252 267 4 252 267 270 8
     240 246 249 40 237 240 246 41 228 225
     237 11 225 222 249 42 225 237 240 43
     222 225 228 44 222 225 237 45 222 249
     246 46 219 222 225 47 219 222 249 48
     213 210 249 50 213 219 222 51 210 204
     258 21 210 213 219 53 210 249 222 54
     210 249 246 55 204 210 213 56 204 210
     249 57 204 258 252 30 201 195 252 4
     201 204 210 32 201 204 258 4 195 201
     204 33 195 252 258 30 195 252 267 4
     186 195 201 4 186 195 252 30 183 186
     195 4 180 174 183 1 177 174 180 38
     177 174 183 1 174 183 186 8 363 366
     369 1 363 366 372 1 363 366 375 2
     354 348 363 4 348 363 366 8 336 342
     345 40 333 336 342 41 324 321 333 11
     321 318 345 42 321 333 336 43 318 321
     324 44 318 321 333 45 318 345 342 46
     315 318 321 47 315 318 345 48 309 306
     345 50 309 315 318 51 306 300 354 21
     306 309 315 53 306 345 318 54 306 345
     342 55 300 306 309 56 300 306 345 57
     300 354 348 30 297 291 348 4 297 300
     306 32 297 300 354 4 291 297 300 33
     291 348 354 30 291 348 363 4 282 291
     297 4 282 291 348 30 279 282 291 4
     276 270 279 1 273 270 276 38 273 270
     279 1 270 279 282 8 453 456 459 1
     453 456 462 1 453 456 465 2 444 438
     453 4 438 453 456 8 429 432 435 9
     420 417 429 11 417 429 432 13 411 417
     420 15 411 417 429 16 405 402 432 18
     405 411 417 20 402 396 444 21 402 405
     411 23 402 432 429 24 402 432 435 25
     396 402 405 28 396 402 432 29 396 444
     438 30 393 387 438 4 393 396 402 32
     393 396 444 4 387 393 396 33 387 438
     444 30 387 438 453 4 378 387 393 4
     378 387 438 30 375 378 387 4 372 366
     375 1 369 366 372 38 369 366 375 1
     366 375 378 8 552 555 558 1 552 555
     561 1 552 555 564 2 543 537 552 4
     537 552 555 8 522 519 531 11 519 531
     534 58 513 519 522 60 513 519 531 61
     510 507 513 62 507 504 534 63 507 513
     519 65 504 507 510 66 504 507 513 67
     504 534 531 46 501 504 507 68 501 504
     534 48 495 492 534 50 495 501 504 51
     492 486 543 21 492 495 501 53 492 534
     504 54 492 534 531 55 486 492 495 56
     486 492 534 57 486 543 537 30 483 477
     537 4 483 486 492 32 483 486 543 4
     477 483 486 33 477 537 543 30 477 537
     552 4 468 477 483 4 468 477 537 30
     465 468 477 4 462 456 465 1 459 456
     462 38 459 456 465 1 456 465 468 8
     648 651 654 1 648 651 657 1 648 651
     660 2 639 633 648 4 633 648 651 8
     621 627 630 62 618 615 621 62 615 621
     627 69 603 600 615 70 600 615 618 72
     600 615 621 73 594 591 627 18 594 600
     603 74 594 600 615 75 591 585 639 21
     591 594 600 23 591 627 621 76 591 627
     630 25 585 591 594 28 585 591 627 29
     585 639 633 30 582 576 633 4 582 585
     591 32 582 585 639 4 576 582 585 33
     576 633 639 30 576 633 648 4 567 576
     582 4 567 576 633 30 564 567 576 4
     561 555 564 1 558 555 561 38 558 555
     564 1 555 564 567 8 744 747 750 1
     744 747 753 1 744 747 756 2 735 729
     744 4 729 744 747 8 717 723 726 62
     714 711 717 62 711 717 723 69 699 696
     711 70 696 711 714 72 696 711 717 73
     690 687 723 18 690 696 699 74 690 696
     711 75 687 681 735 21 687 690 696 23
     687 723 717 76 687 723 726 25 681 687
     690 28 681 687 723 29 681 735 729 30
     678 672 729 4 678 681 687 32 678 681
     735 4 672 678 681 33 672 729 735 30
     672 729 744 4 663 672 678 4 663 672
     729 30 660 663 672 4 657 651 660 1
     654 651 657 38 654 651 660 1 651 660
     663 8 843 846 849 1 843 846 852 1
     843 846 855 2 834 828 843 4 828 843
     846 8 813 810 822 11 810 822 825 58
     804 810 813 60 804 810 822 61 801 798
     804 62 798 795 825 63 798 804 810 65
     795 798 801 66 795 798 804 67 795 825
     822 46 792 795 798 68 792 795 825 48
     786 783 825 50 786 792 795 51 783 777
     834 21 783 786 792 53 783 825 795 54
     783 825 822 55 777 783 786 56 777 783
     825 57 777 834 828 30 774 768 828 4
     774 777 783 32 774 777 834 4 768 774
     777 33 768 828 834 30 768 828 843 4
     759 768 774 4 759 768 828 30 756 759
     768 4 753 747 756 1 750 747 753 38
     750 747 756 1 747 756 759 8 933 927
     942 36 912 909 921 11 909 921 924 58
     903 909 912 60 903 909 921 61 900 897
     903 62 897 894 924 63 897 903 909 65
     894 897 900 66 894 897 903 67 894 924
     921 46 891 894 897 68 891 894 924 48
     885 882 924 50 885 891 894 51 882 876
     933 21 882 885 891 53 882 924 894 54
     882 924 921 55 876 882 885 56 876 882
     924 57 876 933 927 30 873 867 927 4
     873 876 882 32 873 876 933 4 867 873
     876 33 867 927 933 30 867 927 942 36
     858 867 873 4 858 867 927 30 855 858
     867 4 852 846 855 1 849 846 852 38
     849 846 855 1 846 855 858 8 1029 1032
    1035 1 1029 1032 1038 1 1029 1032 1041 2
    1020 1014 1029 4 1014 1029 1032 8 1005 1008
    1011 9 996 993 1005 11 993 1005 1008 13
     987 993 996 15 987 993 1005 16 981 978
    1008 18 981 987 993 20 978 972 1020 21
     978 981 987 23 978 1008 1005 24 978 1008
    1011 25 972 978 981 28 972 978 1008 29
     972 1020 1014 30 969 963 1014 4 969 972
     978 32 969 972 1020 4 963 969 972 33
     963 1014 1020 30 963 1014 1029 4 954 963
     969 4 954 963 1014 30 951 954 963 36
    1119 1122 1125 1 1119 1122 1128 1 1119 1122
    1131 2 1110 1104 1119 4 1104 1119 1122 8
    1095 1098 1101 9 1086 1083 1095 11 1083 1095
    1098 13 1077 1083 1086 15 1077 1083 1095 16
    1071 1068 1098 18 1071 1077 1083 20 1068 1062
    1110 21 1068 1071 1077 23 1068 1098 1095 24
    1068 1098 1101 25 1062 1068 1071 28 1062 1068
    1098 29 1062 1110 1104 30 1059 1053 1104 4
    1059 1062 1068 32 1059 1062 1110 4 1053 1059
    1062 33 1053 1104 1110 30 1053 1104 1119 4
    1044 1053 1059 4 1044 1053 1104 30 1041 1044
    1053 4 1038 1032 1041 1 1035 1032 1038 38
    1035 1032 1041 1 1032 1041 1044 8 1215 1218
    1221 1 1215 1218 1224 1 1215 1218 1227 2
    1206 1200 1215 4 1200 1215 1218 8 1188 1194
    1197 40 1185 1188 1194 41 1176 1173 1185 11
    1173 1170 1197 42 1173 1185 1188 43 1170 1173
    1176 44 1170 1173 1185 45 1170 1197 1194 46
    1167 1170 1173 47 1167 1170 1197 48 1161 1158
    1197 50 1161 1167 1170 51 1158 1152 1206 21
    1158 1161 1167 53 1158 1197 1170 54 1158 1197
    1194 55 1152 1158 1161 56 1152 1158 1197 57
    1152 1206 1200 30 1149 1143 1200 4 1149 1152
    1158 32 1149 1152 1206 4 1143 1149 1152 33
    1143 1200 1206 30 1143 1200 1215 4 1134 1143
    1149 4 1134 1143 1200 30 1131 1134 1143 4
    1128 1122 1131 1 1125 1122 1128 38 1125 1122
    1131 1 1122 1131 1134 8 1311 1314 1317 1
    1311 1314 1320 1 1311 1314 1323 2 1302 1296
    1311 4 1296 1311 1314 8 1284 1290 1293 40
    1281 1284 1290 41 1272 1269 1281 11 1269 1266
    1293 42 1269 1281 1284 43 1266 1269 1272 44
    1266 1269 1281 45 1266 1293 1290 46 1263 1266
    1269 47 1263 1266 1293 48 1257 1254 1293 50
    1257 1263 1266 51 1254 1248 1302 21 1254 1257
    1263 53 1254 1293 1266 54 1254 1293 1290 55
    1248 1254 1257 56 1248 1254 1293 57 1248 1302
    1296 30 1245 1239 1296 4 1245 1248 1254 32
    1245 1248 1302 4 1239 1245 1248 33 1239 1296
    1302 30 1239 1296 1311 4 1230 1239 1245 4
    1230 1239 1296 30 1227 1230 1239 4 1224 1218
    1227 1 1221 1218 1224 38 1221 1218 1227 1
    1218 1227 1230 8 1401 1404 1407 1 1401 1404
    1410 1 1401 1404 1413 2 1392 1386 1401 4
    1386 1401 1404 8 1377 1380 1383 9 1368 1365
    1377 11 1365 1377 1380 13 1359 1365 1368 15
    1359 1365 1377 16 1353 1350 1380 18 1353 1359
    1365 20 1350 1344 1392 21 1350 1353 1359 23
    1350 1380 1377 24 1350 1380 1383 25 1344 1350
    1353 28 1344 1350 1380 29 1344 1392 1386 30
    1341 1335 1386 4 1341 1344 1350 32 1341 1344
    1392 4 1335 1341 1344 33 1335 1386 1392 30
    1335 1386 1401 4 1326 1335 1341 4 1326 1335
    1386 30 1323 1326 1335 4 1320 1314 1323 1
    1317 1314 1320 38 1317 1314 1323 1 1314 1323
    1326 8 1500 1503 1506 1 1500 1503 1509 1
    1500 1503 1512 2 1491 1485 1500 4 1485 1500
    1503 8 1470 1467 1479 11 1467 1479 1482 58
    1461 1467 1470 60 1461 1467 1479 61 1458 1455
    1461 62 1455 1452 1482 63 1455 1461 1467 65
    1452 1455 1458 66 1452 1455 1461 67 1452 1482
    1479 46 1449 1452 1455 68 1449 1452 1482 48
    1443 1440 1482 50 1443 1449 1452 51 1440 1434
    1491 21 1440 1443 1449 53 1440 1482 1452 54
    1440 1482 1479 55 1434 1440 1443 56 1434 1440
    1482 57 1434 1491 1485 30 1431 1425 1485 4
    1431 1434 1440 32 1431 1434 1491 4 1425 1431
    1434 33 1425 1485 1491 30 1425 1485 1500 4
    1416 1425 1431 4 1416 1425 1485 30 1413 1416
    1425 4 1410 1404 1413 1 1407 1404 1410 38
    1407 1404 1413 1 1404 1413 1416 8 1596 1599
    1602 1 1596 1599 1605 1 1596 1599 1608 2
    1587 1581 1596 4 1581 1596 1599 8 1569 1575
    1578 62 1566 1563 1569 62 1563 1569 1575 69
    1551 1548 1563 70 1548 1563 1566 72 1548 1563
    1569 73 1542 1539 1575 18 1542 1548 1551 74
    1542 1548 1563 75 1539 1533 1587 21 1539 1542
    1548 23 1539 1575 1569 76 1539 1575 1578 25
    1533 1539 1542 28 1533 1539 1575 29 1533 1587
    1581 30 1530 1524 1581 4 1530 1533 1539 32
    1530 1533 1587 4 1524 1530 1533 33 1524 1581
    1587 30 1524 1581 1596 4 1515 1524 1530 4
    1515 1524 1581 30 1512 1515 1524 4 1509 1503
    1512 1 1506 1503 1509 38 1506 1503 1512 1
    1503 1512 1515 8 1692 1695 1698 1 1692 1695
    1701 1 1692 1695 1704 2 1683 1677 1692 4
    1677 1692 1695 8 1665 1671 1674 62 1662 1659
    1665 62 1659 1665 1671 69 1647 1644 1659 70
    1644 1659 1662 72 1644 1659 1665 73 1638 1635
    1671 18 1638 1644 1647 74 1638 1644 1659 75
    1635 1629 1683 21 1635 1638 1644 23 1635 1671
    1665 76 1635 1671 1674 25 1629 1635 1638 28
    1629 1635 1671 29 1629 1683 1677 30 1626 1620
    1677 4 1626 1629 1635 32 1626 1629 1683 4
    1620 1626 1629 33 1620 1677 1683 30 1620 1677
    1692 4 1611 1620 1626 4 1611 1620 1677 30
    1608 1611 1620 4 1605 1599 1608 1 1602 1599
    1605 38 1602 1599 1608 1 1599 1608 1611 8
    1791 1794 1797 1 1791 1794 1800 1 1791 1794
    1803 2 1782 1776 1791 4 1776 1791 1794 8
    1761 1758 1770 11 1758 1770 1773 58 1752 1758
    1761 60 1752 1758 1770 61 1749 1746 1752 62
    1746 1743 1773 63 1746 1752 1758 65 1743 1746
    1749 66 1743 1746 1752 67 1743 1773 1770 46
    1740 1743 1746 68 1740 1743 1773 48 1734 1731
    1773 50 1734 1740 1743 51 1731 1725 1782 21
    1731 1734 1740 53 1731 1773 1743 54 1731 1773
    1770 55 1725 1731 1734 56 1725 1731 1773 57
    1725 1782 1776 30 1722 1716 1776 4 1722 1725
    1731 32 1722 1725 1782 4 1716 1722 1725 33
    1716 1776 1782 30 1716 1776 1791 4 1707 1716
    1722 4 1707 1716 1776 30 1704 1707 1716 4
    1701 1695 1704 1 1698 1695 1701 38 1698 1695
    1704 1 1695 1704 1707 8 1881 1875 1890 36
    1860 1857 1869 11 1857 1869 1872 58 1851 1857
    1860 60 1851 1857 1869 61 1848 1845 1851 62
    1845 1842 1872 63 1845 1851 1857 65 1842 1845
    1848 66 1842 1845 1851 67 1842 1872 1869 46
    1839 1842 1845 68 1839 1842 1872 48 1833 1830
    1872 50 1833 1839 1842 51 1830 1824 1881 21
    1830 1833 1839 53 1830 1872 1842 54 1830 1872
    1869 55 1824 1830 1833 56 1824 1830 1872 57
    1824 1881 1875 30 1821 1815 1875 4 1821 1824
    1830 32 1821 1824 1881 4 1815 1821 1824 33
    1815 1875 1881 30 1815 1875 1890 36 1806 1815
    1821 4 1806 1815 1875 30 1803 1806 1815 4
    1800 1794 1803 1 1797 1794 1800 38 1797 1794
    1803 1 1794 1803 1806 8
%FLAG DIHEDRALS_INC_HYDROGEN
%FORMAT(10I8)
      78 72 66 81 3 75 72 66 81 3
      69 66 72 75 5 69 66 72 78 5
      69 66 81 84 4 54 48 45 57 7
      51 48 45 57 7 42 39 45 48 10
      42 39 45 57 10 39 45 48 51 7
      39 45 48 54 7 36 33 30 60 11
      36 33 39 42 12 36 33 39 45 12
      30 24 72 75 5 30 24 72 78 5
      30 33 39 42 12 27 24 30 33 6
      27 24 30 60 6 27 24 72 66 5
      27 24 72 75 5 27 24 72 78 5
      24 30 33 36 11 24 72 66 69 5
      21 15 66 69 3 21 24 72 75 3
      21 24 -72 75 5 21 24 72 78 3
      21 24 -72 78 5 18 15 21 24 4
      18 15 66 69 5 18 15 66 72 5
      18 15 66 81 3 15 21 24 27 4
      15 66 72 75 23 15 66 72 78 23
      12 6 15 18 5 12 6 15 21 3
      12 6 15 66 5 9 6 15 18 5
       9 6 15 21 3 9 6 15 66 5
       6 15 66 69 5 3 6 15 18 3
       0 3 6 9 24 0 3 6 12 24
       0 3 6 15 3 0 3 -6 15 23
     168 162 156 171 3 168 162 -156 171 5
     165 162 156 171 3 165 162 -156 171 5
     159 156 162 165 5 159 156 162 168 5
     159 156 171 174 4 144 138 135 147 7
     141 138 135 147 7 132 129 135 138 10
     132 129 135 147 10 129 135 138 141 7
     129 135 138 144 7 126 123 120 150 11
     126 123 129 132 12 126 123 129 135 12
     120 114 162 165 5 120 114 162 168 5
     120 123 129 132 12 117 114 120 123 6
     117 114 120 150 6 117 114 162 156 5
     117 114 162 165 5 117 114 162 168 5
     114 120 123 126 11 114 162 156 159 5
     111 105 156 159 3 111 114 162 165 3
     111 114 -162 165 5 111 114 162 168 3
     111 114 -162 168 5 108 105 111 114 4
     108 105 156 159 5 108 105 156 162 5
     108 105 156 171 3 105 111 114 117 4
     105 156 162 165 23 105 156 162 168 23
     102 96 105 108 5 102 96 105 111 3
     102 96 105 156 5 99 96 105 108 5
      99 96 105 111 3 99 96 105 156 5
      96 105 156 159 5 93 96 105 108 3
      84 93 96 99 4 84 93 96 102 4
     264 258 252 267 3 264 258 -252 267 5
     261 258 252 267 3 261 258 -252 267 5
     255 252 258 261 5 255 252 258 264 5
     255 252 267 270 4 243 240 246 249 25
     234 228 225 237 7 231 228 225 237 7
     225 237 240 243 25 222 225 228 231 7
     222 225 228 234 7 216 213 210 249 29
     216 213 219 222 30 210 204 258 261 5
     210 204 258 264 5 207 204 210 213 6
     207 204 210 249 6 207 204 258 252 5
     207 204 258 261 5 207 204 258 264 5
     204 210 213 216 29 204 258 252 255 5
     201 195 252 255 3 201 204 258 261 3
     201 204 -258 261 5 201 204 258 264 3
     201 204 -258 264 5 198 195 201 204 4
     198 195 252 255 5 198 195 252 258 5
     198 195 252 267 3 195 201 204 207 4
     195 252 258 261 23 195 252 258 264 23
     192 186 195 198 5 192 186 195 201 3
     192 186 195 252 5 189 186 195 198 5
     189 186 195 201 3 189 186 195 252 5
     186 195 252 255 5 183 186 195 198 3
     174 183 186 189 4 174 183 186 192 4
     360 354 348 363 3 360 354 -348 363 5
     357 354 348 363 3 357 354 -348 363 5
     351 348 354 357 5 351 348 354 360 5
     351 348 363 366 4 339 336 342 345 25
     330 324 321 333 7 327 324 321 333 7
     321 333 336 339 25 318 321 324 327 7
     318 321 324 330 7 312 309 306 345 29
     312 309 315 318 30 306 300 354 357 5
     306 300 354 360 5 303 300 306 309 6
     303 300 306 345 6 303 300 354 348 5
     303 300 354 357 5 303 300 354 360 5
     300 306 309 312 29 300 354 348 351 5
     297 291 348 351 3 297 300 354 357 3
     297 300 -354 357 5 297 300 354 360 3
     297 300 -354 360 5 294 291 297 300 4
     294 291 348 351 5 294 291 348 354 5
     294 291 348 363 3 291 297 300 303 4
     291 348 354 357 23 291 348 354 360 23
     288 282 291 294 5 288 282 291 297 3
     288 282 291 348 5 285 282 291 294 5
     285 282 291 297 3 285 282 291 348 5
     282 291 348 351 5 279 282 291 294 3
     270 279 282 285 4 270 279 282 288 4
     450 444 438 453 3 450 444 -438 453 5
     447 444 438 453 3 447 444 -438 453 5
     441 438 444 447 5 441 438 444 450 5
     441 438 453 456 4 426 420 417 429 7
     423 420 417 429 7 414 411 417 420 10
     414 411 417 429 10 411 417 420 423 7
     411 417 420 426 7 408 405 402 432 11
     408 405 411 414 12 408 405 411 417 12
     402 396 444 447 5 402 396 444 450 5
     402 405 411 414 12 399 396 402 405 6
     399 396 402 432 6 399 396 444 438 5
     399 396 444 447 5 399 396 444 450 5
     396 402 405 408 11 396 444 438 441 5
     393 387 438 441 3 393 396 444 447 3
     393 396 -444 447 5 393 396 444 450 3
     393 396 -444 450 5 390 387 393 396 4
     390 387 438 441 5 390 387 438 444 5
     390 387 438 453 3 387 393 396 399 4
     387 438 444 447 23 387 438 444 450 23
     384 378 387 390 5 384 378 387 393 3
     384 378 387 438 5 381 378 387 390 5
     381 378 387 393 3 381 378 387 438 5
     378 387 438 441 5 375 378 387 390 3
     366 375 378 381 4 366 375 378 384 4
     549 543 537 552 3 549 543 -537 552 5
     546 543 537 552 3 546 543 -537 552 5
     540 537 543 546 5 540 537 543 549 5
     540 537 552 555 4 528 522 519 531 7
     525 522 519 531 7 516 513 519 522 32
     516 513 519 531 32 513 519 522 525 7
     513 519 522 528 7 510 507 513 516 34
     504 507 513 516 34 498 495 492 534 29
     498 495 501 504 30 492 486 543 546 5
     492 486 543 549 5 489 486 492 495 6
     489 486 492 534 6 489 486 543 537 5
     489 486 543 546 5 489 486 543 549 5
     486 492 495 498 29 486 543 537 540 5
     483 477 537 540 3 483 486 543 546 3
     483 486 -543 546 5 483 486 543 549 3
     483 486 -543 549 5 480 477 483 486 4
     480 477 537 540 5 480 477 537 543 5
     480 477 537 552 3 477 483 486 489 4
     477 537 543 546 23 477 537 543 549 23
     474 468 477 480 5 474 468 477 483 3
     474 468 477 537 5 471 468 477 480 5
     471 468 477 483 3 471 468 477 537 5
     468 477 537 540 5 465 468 477 480 3
     456 465 468 471 4 456 465 468 474 4
     645 639 633 648 3 645 639 -633 648 5
     642 639 633 648 3 642 639 -633 648 5
     636 633 639 642 5 636 633 639 645 5
     636 633 648 651 4 624 621 627 630 34
     618 615 621 624 34 612 603 600 615 35
     609 603 600 615 35 606 603 600 615 35
     600 615 621 624 34 597 594 591 627 11
     597 594 600 603 12 597 594 600 615 12
     594 600 603 606 37 594 600 -603 606 38
     594 600 603 609 37 594 600 -603 609 38
     594 600 603 612 37 594 600 -603 612 38
     591 585 639 642 5 591 585 639 645 5
     591 627 621 624 34 588 585 591 594 6
     588 585 591 627 6 588 585 639 633 5
     588 585 639 642 5 588 585 639 645 5
     585 591 594 597 11 585 639 633 636 5
     582 576 633 636 3 582 585 639 642 3
     582 585 -639 642 5 582 585 639 645 3
     582 585 -639 645 5 579 576 582 585 4
     579 576 633 636 5 579 576 633 639 5
     579 576 633 648 3 576 582 585 588 4
     576 633 639 642 23 576 633 639 645 23
     573 567 576 579 5 573 567 576 582 3
     573 567 576 633 5 570 567 576 579 5
     570 567 576 582 3 570 567 576 633 5
     567 576 633 636 5 564 567 576 579 3
     555 564 567 570 4 555 564 567 573 4
     741 735 729 744 3 741 735 -729 744 5
     738 735 729 744 3 738 735 -729 744 5
     732 729 735 738 5 732 729 735 741 5
     732 729 744 747 4 720 717 723 726 34
     714 711 717 720 34 708 699 696 711 35
     705 699 696 711 35 702 699 696 711 35
     696 711 717 720 34 693 690 687 723 11
     693 690 696 699 12 693 690 696 711 12
     690 696 699 702 37 690 696 -699 702 38
     690 696 699 705 37 690 696 -699 705 38
     690 696 699 708 37 690 696 -699 708 38
     687 681 735 738 5 687 681 735 741 5
     687 723 717 720 34 684 681 687 690 6
     684 681 687 723 6 684 681 735 729 5
     684 681 735 738 5 684 681 735 741 5
     681 687 690 693 11 681 735 729 732 5
     678 672 729 732 3 678 681 735 738 3
     678 681 -735 738 5 678 681 735 741 3
     678 681 -735 741 5 675 672 678 681 4
     675 672 729 732 5 675 672 729 735 5
     675 672 729 744 3 672 678 681 684 4
     672 729 735 738 23 672 729 735 741 23
     669 663 672 675 5 669 663 672 678 3
     669 663 672 729 5 666 663 672 675 5
     666 663 672 678 3 666 663 672 729 5
     663 672 729 732 5 660 663 672 675 3
     651 660 663 666 4 651 660 663 669 4
     840 834 828 843 3 840 834 -828 843 5
     837 834 828 843 3 837 834 -828 843 5
     831 828 834 837 5 831 828 834 840 5
     831 828 843 846 4 819 813 810 822 7
     816 813 810 822 7 807 804 810 813 32
     807 804 810 822 32 804 810 813 816 7
     804 810 813 819 7 801 798 804 807 34
     795 798 804 807 34 789 786 783 825 29
     789 786 792 795 30 783 777 834 837 5
     783 777 834 840 5 780 777 783 786 6
     780 777 783 825 6 780 777 834 828 5
     780 777 834 837 5 780 777 834 840 5
     777 783 786 789 29 777 834 828 831 5
     774 768 828 831 3 774 777 834 837 3
     774 777 -834 837 5 774 777 834 840 3
     774 777 -834 840 5 771 768 774 777 4
     771 768 828 831 5 771 768 828 834 5
     771 768 828 843 3 768 774 777 780 4
     768 828 834 837 23 768 828 834 840 23
     765 759 768 771 5 765 759 768 774 3
     765 759 768 828 5 762 759 768 771 5
     762 759 768 774 3 762 759 768 828 5
     759 768 828 831 5 756 759 768 771 3
     747 756 759 762 4 747 756 759 765 4
     939 933 927 942 3 936 933 927 942 3
     933 927 942 945 3 933 927 -942 945 23
     930 927 933 936 5 930 927 933 939 5
     930 927 942 945 24 918 912 909 921 7
     915 912 909 921 7 906 903 909 912 32
     906 903 909 921 32 903 909 912 915 7
     903 909 912 918 7 900 897 903 906 34
     894 897 903 906 34 888 885 882 924 29
     888 885 891 894 30 882 876 933 936 5
     882 876 933 939 5 879 876 882 885 6
     879 876 882 924 6 879 876 933 927 5
     879 876 933 936 5 879 876 933 939 5
     876 882 885 888 29 876 933 927 930 5
     873 867 927 930 3 873 876 933 936 3
     873 876 -933 936 5 873 876 933 939 3
     873 876 -933 939 5 870 867 873 876 4
     870 867 927 930 5 870 867 927 933 5
     870 867 927 942 3 867 873 876 879 4
     867 927 933 936 23 867 927 933 939 23
     867 927 942 945 3 867 927 -942 945 23
     864 858 867 870 5 864 858 867 873 3
     864 858 867 927 5 861 858 867 870 5
     861 858 867 873 3 861 858 867 927 5
     858 867 927 930 5 855 858 867 870 3
     846 855 858 861 4 846 855 858 864 4
    1026 1020 1014 1029 3 1026 1020 -1014 1029 5
    1023 1020 1014 1029 3 1023 1020 -1014 1029 5
    1017 1014 1020 1023 5 1017 1014 1020 1026 5
    1017 1014 1029 1032 4 1002 996 993 1005 7
     999 996 993 1005 7 990 987 993 996 10
     990 987 993 1005 10 987 993 996 999 7
     987 993 996 1002 7 984 981 978 1008 11
     984 981 987 990 12 984 981 987 993 12
     978 972 1020 1023 5 978 972 1020 1026 5
     978 981 987 990 12 975 972 978 981 6
     975 972 978 1008 6 975 972 1020 1014 5
     975 972 1020 1023 5 975 972 1020 1026 5
     972 978 981 984 11 972 1020 1014 1017 5
     969 963 1014 1017 3 969 972 1020 1023 3
     969 972 -1020 1023 5 969 972 1020 1026 3
     969 972 -1020 1026 5 966 963 969 972 4
     966 963 1014 1017 5 966 963 1014 1020 5
     966 963 1014 1029 3 963 969 972 975 4
     963 1014 1020 1023 23 963 1014 1020 1026 23
     960 954 963 966 5 960 954 963 969 3
     960 954 963 1014 5 957 954 963 966 5
     957 954 963 969 3 957 954 963 1014 5
     954 963 1014 1017 5 951 954 963 966 3
     948 951 954 957 24 948 951 954 960 24
     948 951 954 963 3 948 951 -954 963 23
    1116 1110 1104 1119 3 1116 1110 -1104 1119 5
    1113 1110 1104 1119 3 1113 1110 -1104 1119 5
    1107 1104 1110 1113 5 1107 1104 1110 1116 5
    1107 1104 1119 1122 4 1092 1086 1083 1095 7
    1089 1086 1083 1095 7 1080 1077 1083 1086 10
    1080 1077 1083 1095 10 1077 1083 1086 1089 7
    1077 1083 1086 1092 7 1074 1071 1068 1098 11
    1074 1071 1077 1080 12 1074 1071 1077 1083 12
    1068 1062 1110 1113 5 1068 1062 1110 1116 5
    1068 1071 1077 1080 12 1065 1062 1068 1071 6
    1065 1062 1068 1098 6 1065 1062 1110 1104 5
    1065 1062 1110 1113 5 1065 1062 1110 1116 5
    1062 1068 1071 1074 11 1062 1110 1104 1107 5
    1059 1053 1104 1107 3 1059 1062 1110 1113 3
    1059 1062 -1110 1113 5 1059 1062 1110 1116 3
    1059 1062 -1110 1116 5 1056 1053 1059 1062 4
    1056 1053 1104 1107 5 1056 1053 1104 1110 5
    1056 1053 1104 1119 3 1053 1059 1062 1065 4
    1053 1104 1110 1113 23 1053 1104 1110 1116 23
    1050 1044 1053 1056 5 1050 1044 1053 1059 3
    1050 1044 1053 1104 5 1047 1044 1053 1056 5
    1047 1044 1053 1059 3 1047 1044 1053 1104 5
    1044 1053 1104 1107 5 1041 1044 1053 1056 3
    1032 1041 1044 1047 4 1032 1041 1044 1050 4
    1212 1206 1200 1215 3 1212 1206 -1200 1215 5
    1209 1206 1200 1215 3 1209 1206 -1200 1215 5
    1203 1200 1206 1209 5 1203 1200 1206 1212 5
    1203 1200 1215 1218 4 1191 1188 1194 1197 25
    1182 1176 1173 1185 7 1179 1176 1173 1185 7
    1173 1185 1188 1191 25 1170 1173 1176 1179 7
    1170 1173 1176 1182 7 1164 1161 1158 1197 29
    1164 1161 1167 1170 30 1158 1152 1206 1209 5
    1158 1152 1206 1212 5 1155 1152 1158 1161 6
    1155 1152 1158 1197 6 1155 1152 1206 1200 5
    1155 1152 1206 1209 5 1155 1152 1206 1212 5
    1152 1158 1161 1164 29 1152 1206 1200 1203 5
    1149 1143 1200 1203 3 1149 1152 1206 1209 3
    1149 1152 -1206 1209 5 1149 1152 1206 1212 3
    1149 1152 -1206 1212 5 1146 1143 1149 1152 4
    1146 1143 1200 1203 5 1146 1143 1200 1206 5
    1146 1143 1200 1215 3 1143 1149 1152 1155 4
    1143 1200 1206 1209 23 1143 1200 1206 1212 23
    1140 1134 1143 1146 5 1140 1134 1143 1149 3
    1140 1134 1143 1200 5 1137 1134 1143 1146 5
    1137 1134 1143 1149 3 1137 1134 1143 1200 5
    1134 1143 1200 1203 5 1131 1134 1143 1146 3
    1122 1131 1134 1137 4 1122 1131 1134 1140 4
    1308 1302 1296 1311 3 1308 1302 -1296 1311 5
    1305 1302 1296 1311 3 1305 1302 -1296 1311 5
    1299 1296 1302 1305 5 1299 1296 1302 1308 5
    1299 1296 1311 1314 4 1287 1284 1290 1293 25
    1278 1272 1269 1281 7 1275 1272 1269 1281 7
    1269 1281 1284 1287 25 1266 1269 1272 1275 7
    1266 1269 1272 1278 7 1260 1257 1254 1293 29
    1260 1257 1263 1266 30 1254 1248 1302 1305 5
    1254 1248 1302 1308 5 1251 1248 1254 1257 6
    1251 1248 1254 1293 6 1251 1248 1302 1296 5
    1251 1248 1302 1305 5 1251 1248 1302 1308 5
    1248 1254 1257 1260 29 1248 1302 1296 1299 5
    1245 1239 1296 1299 3 1245 1248 1302 1305 3
    1245 1248 -1302 1305 5 1245 1248 1302 1308 3
    1245 1248 -1302 1308 5 1242 1239 1245 1248 4
    1242 1239 1296 1299 5 1242 1239 1296 1302 5
    1242 1239 1296 1311 3 1239 1245 1248 1251 4
    1239 1296 1302 1305 23 1239 1296 1302 1308 23
    1236 1230 1239 1242 5 1236 1230 1239 1245 3
    1236 1230 1239 1296 5 1233 1230 1239 1242 5
    1233 1230 1239 1245 3 1233 1230 1239 1296 5
    1230 1239 1296 1299 5 1227 1230 1239 1242 3
    1218 1227 1230 1233 4 1218 1227 1230 1236 4
    1398 1392 1386 1401 3 1398 1392 -1386 1401 5
    1395 1392 1386 1401 3 1395 1392 -1386 1401 5
    1389 1386 1392 1395 5 1389 1386 1392 1398 5
    1389 1386 1401 1404 4 1374 1368 1365 1377 7
    1371 1368 1365 1377 7 1362 1359 1365 1368 10
    1362 1359 1365 1377 10 1359 1365 1368 1371 7
    1359 1365 1368 1374 7 1356 1353 1350 1380 11
    1356 1353 1359 1362 12 1356 1353 1359 1365 12
    1350 1344 1392 1395 5 1350 1344 1392 1398 5
    1350 1353 1359 1362 12 1347 1344 1350 1353 6
    1347 1344 1350 1380 6 1347 1344 1392 1386 5
    1347 1344 1392 1395 5 1347 1344 1392 1398 5
    1344 1350 1353 1356 11 1344 1392 1386 1389 5
    1341 1335 1386 1389 3 1341 1344 1392 1395 3
    1341 1344 -1392 1395 5 1341 1344 1392 1398 3
    1341 1344 -1392 1398 5 1338 1335 1341 1344 4
    1338 1335 1386 1389 5 1338 1335 1386 1392 5
    1338 1335 1386 1401 3 1335 1341 1344 1347 4
    1335 1386 1392 1395 23 1335 1386 1392 1398 23
    1332 1326 1335 1338 5 1332 1326 1335 1341 3
    1332 1326 1335 1386 5 1329 1326 1335 1338 5
    1329 1326 1335 1341 3 1329 1326 1335 1386 5
    1326 1335 1386 1389 5 1323 1326 1335 1338 3
    1314 1323 1326 1329 4 1314 1323 1326 1332 4
    1497 1491 1485 1500 3 1497 1491 -1485 1500 5
    1494 1491 1485 1500 3 1494 1491 -1485 1500 5
    1488 1485 1491 1494 5 1488 1485 1491 1497 5
    1488 1485 1500 1503 4 1476 1470 1467 1479 7
    1473 1470 1467 1479 7 1464 1461 1467 1470 32
    1464 1461 1467 1479 32 1461 1467 1470 1473 7
    1461 1467 1470 1476 7 1458 1455 1461 1464 34
    1452 1455 1461 1464 34 1446 1443 1440 1482 29
    1446 1443 1449 1452 30 1440 1434 1491 1494 5
    1440 1434 1491 1497 5 1437 1434 1440 1443 6
    1437 1434 1440 1482 6 1437 1434 1491 1485 5
    1437 1434 1491 1494 5 1437 1434 1491 1497 5
    1434 1440 1443 1446 29 1434 1491 1485 1488 5
    1431 1425 1485 1488 3 1431 1434 1491 1494 3
    1431 1434 -1491 1494 5 1431 1434 1491 1497 3
    1431 1434 -1491 1497 5 1428 1425 1431 1434 4
    1428 1425 1485 1488 5 1428 1425 1485 1491 5
    1428 1425 1485 1500 3 1425 1431 1434 1437 4
    1425 1485 1491 1494 23 1425 1485 1491 1497 23
    1422 1416 1425 1428 5 1422 1416 1425 1431 3
    1422 1416 1425 1485 5 1419 1416 1425 1428 5
    1419 1416 1425 1431 3 1419 1416 1425 1485 5
    1416 1425 1485 1488 5 1413 1416 1425 1428 3
    1404 1413 1416 1419 4 1404 1413 1416 1422 4
    1593 1587 1581 1596 3 1593 1587 -1581 1596 5
    1590 1587 1581 1596 3 1590 1587 -1581 1596 5
    1584 1581 1587 1590 5 1584 1581 1587 1593 5
    1584 1581 1596 1599 4 1572 1569 1575 1578 34
    1566 1563 1569 1572 34 1560 1551 1548 1563 35
    1557 1551 1548 1563 35 1554 1551 1548 1563 35
    1548 1563 1569 1572 34 1545 1542 1539 1575 11
    1545 1542 1548 1551 12 1545 1542 1548 1563 12
    1542 1548 1551 1554 37 1542 1548 -1551 1554 38
    1542 1548 1551 1557 37 1542 1548 -1551 1557 38
    1542 1548 1551 1560 37 1542 1548 -1551 1560 38
    1539 1533 1587 1590 5 1539 1533 1587 1593 5
    1539 1575 1569 1572 34 1536 1533 1539 1542 6
    1536 1533 1539 1575 6 1536 1533 1587 1581 5
    1536 1533 1587 1590 5 1536 1533 1587 1593 5
    1533 1539 1542 1545 11 1533 1587 1581 1584 5
    1530 1524 1581 1584 3 1530 1533 1587 1590 3
    1530 1533 -1587 1590 5 1530 1533 1587 1593 3
    1530 1533 -1587 1593 5 1527 1524 1530 1533 4
    1527 1524 1581 1584 5 1527 1524 1581 1587 5
    1527 1524 1581 1596 3 1524 1530 1533 1536 4
    1524 1581 1587 1590 23 1524 1581 1587 1593 23
    1521 1515 1524 1527 5 1521 1515 1524 1530 3
    1521 1515 1524 1581 5 1518 1515 1524 1527 5
    1518 1515 1524 1530 3 1518 1515 1524 1581 5
    1515 1524 1581 1584 5 1512 1515 1524 1527 3
    1503 1512 1515 1518 4 1503 1512 1515 1521 4
    1689 1683 1677 1692 3 1689 1683 -1677 1692 5
    1686 1683 1677 1692 3 1686 1683 -1677 1692 5
    1680 1677 1683 1686 5 1680 1677 1683 1689 5
    1680 1677 1692 1695 4 1668 1665 1671 1674 34
    1662 1659 1665 1668 34 1656 1647 1644 1659 35
    1653 1647 1644 1659 35 1650 1647 1644 1659 35
    1644 1659 1665 1668 34 1641 1638 1635 1671 11
    1641 1638 1644 1647 12 1641 1638 1644 1659 12
    1638 1644 1647 1650 37 1638 1644 -1647 1650 38
    1638 1644 1647 1653 37 1638 1644 -1647 1653 38
    1638 1644 1647 1656 37 1638 1644 -1647 1656 38
    1635 1629 1683 1686 5 1635 1629 1683 1689 5
    1635 1671 1665 1668 34 1632 1629 1635 1638 6
    1632 1629 1635 1671 6 1632 1629 1683 1677 5
    1632 1629 1683 1686 5 1632 1629 1683 1689 5
    1629 1635 1638 1641 11 1629 1683 1677 1680 5
    1626 1620 1677 1680 3 1626 1629 1683 1686 3
    1626 1629 -1683 1686 5 1626 1629 1683 1689 3
    1626 1629 -1683 1689 5 1623 1620 1626 1629 4
    1623 1620 1677 1680 5 1623 1620 1677 1683 5
    1623 1620 1677 1692 3 1620 1626 1629 1632 4
    1620 1677 1683 1686 23 1620 1677 1683 1689 23
    1617 1611 1620 1623 5 1617 1611 1620 1626 3
    1617 1611 1620 1677 5 1614 1611 1620 1623 5
    1614 1611 1620 1626 3 1614 1611 1620 1677 5
    1611 1620 1677 1680 5 1608 1611 1620 1623 3
    1599 1608 1611 1614 4 1599 1608 1611 1617 4
    1788 1782 1776 1791 3 1788 1782 -1776 1791 5
    1785 1782 1776 1791 3 1785 1782 -1776 1791 5
    1779 1776 1782 1785 5 1779 1776 1782 1788 5
    1779 1776 1791 1794 4 1767 1761 1758 1770 7
    1764 1761 1758 1770 7 1755 1752 1758 1761 32
    1755 1752 1758 1770 32 1752 1758 1761 1764 7
    1752 1758 1761 1767 7 1749 1746 1752 1755 34
    1743 1746 1752 1755 34 1737 1734 1731 1773 29
    1737 1734 1740 1743 30 1731 1725 1782 1785 5
    1731 1725 1782 1788 5 1728 1725 1731 1734 6
    1728 1725 1731 1773 6 1728 1725 1782 1776 5
    1728 1725 1782 1785 5 1728 1725 1782 1788 5
    1725 1731 1734 1737 29 1725 1782 1776 1779 5
    1722 1716 1776 1779 3 1722 1725 1782 1785 3
    1722 1725 -1782 1785 5 1722 1725 1782 1788 3
    1722 1725 -1782 1788 5 1719 1716 1722 1725 4
    1719 1716 1776 1779 5 1719 1716 1776 1782 5
    1719 1716 1776 1791 3 1716 1722 1725 1728 4
    1716 1776 1782 1785 23 1716 1776 1782 1788 23
    1713 1707 1716 1719 5 1713 1707 1716 1722 3
    1713 1707 1716 1776 5 1710 1707 1716 1719 5
    1710 1707 1716 1722 3 1710 1707 1716 1776 5
    1707 1716 1776 1779 5 1704 1707 1716 1719 3
    1695 1704 1707 1710 4 1695 1704 1707 1713 4
    1887 1881 1875 1890 3 1884 1881 1875 1890 3
    1881 1875 1890 1893 3 1881 1875 -1890 1893 23
    1878 1875 1881 1884 5 1878 1875 1881 1887 5
    1878 1875 1890 1893 24 1866 1860 1857 1869 7
    1863 1860 1857 1869 7 1854 1851 1857 1860 32
    1854 1851 1857 1869 32 1851 1857 1860 1863 7
    1851 1857 1860 1866 7 1848 1845 1851 1854 34
    1842 1845 1851 1854 34 1836 1833 1830 1872 29
    1836 1833 1839 1842 30 1830 1824 1881 1884 5
    1830 1824 1881 1887 5 1827 1824 1830 1833 6
    1827 1824 1830 1872 6 1827 1824 1881 1875 5
    1827 1824 1881 1884 5 1827 1824 1881 1887 5
    1824 1830 1833 1836 29 1824 1881 1875 1878 5
    1821 1815 1875 1878 3 1821 1824 1881 1884 3
    1821 1824 -1881 1884 5 1821 1824 1881 1887 3
    1821 1824 -1881 1887 5 1818 1815 1821 1824 4
    1818 1815 1875 1878 5 1818 1815 1875 1881 5
    1818 1815 1875 1890 3 1815 1821 1824 1827 4
    1815 1875 1881 1884 23 1815 1875 1881 1887 23
    1815 1875 1890 1893 3 1815 1875 -1890 1893 23
    1812 1806 1815 1818 5 1812 1806 1815 1821 3
    1812 1806 1815 1875 5 1809 1806 1815 1818 5
    1809 1806 1815 1821 3 1809 1806 1815 1875 5
    1806 1815 1875 1878 5 1803 1806 1815 1818 3
    1794 1803 1806 1809 4 1794 1803 1806 1812 4
      45 51 -48 -54 41 33 45 -39 -42 42
      30 39 -33 -36 42 135 141 -138 -144 41
     123 135 -129 -132 42 120 129 -123 -126 42
     237 246 -240 -243 42 225 231 -228 -234 41
     210 219 -213 -216 42 333 342 -336 -339 42
     321 327 -324 -330 41 306 315 -309 -312 42
     417 423 -420 -426 41 405 417 -411 -414 42
     402 411 -405 -408 42 519 525 -522 -528 41
     507 519 -513 -516 41 492 501 -495 -498 42
     615 627 -621 -624 41 591 600 -594 -597 42
     711 723 -717 -720 41 687 696 -690 -693 42
     810 816 -813 -819 41 798 810 -804 -807 41
     783 792 -786 -789 42 909 915 -912 -918 41
     897 909 -903 -906 41 882 891 -885 -888 42
     993 999 -996 -1002 41 981 993 -987 -990 42
     978 987 -981 -984 42 1083 1089 -1086 -1092 41
    1071 1083 -1077 -1080 42 1068 1077 -1071 -1074 42
    1185 1194 -1188 -1191 42 1173 1179 -1176 -1182 41
    1158 1167 -1161 -1164 42 1281 1290 -1284 -1287 42
    1269 1275 -1272 -1278 41 1254 1263 -1257 -1260 42
    1365 1371 -1368 -1374 41 1353 1365 -1359 -1362 42
    1350 1359 -1353 -1356 42 1467 1473 -1470 -1476 41
    1455 1467 -1461 -1464 41 1440 1449 -1443 -1446 42
    1563 1575 -1569 -1572 41 1539 1548 -1542 -1545 42
    1659 1671 -1665 -1668 41 1635 1644 -1638 -1641 42
    1758 1764 -1761 -1767 41 1746 1758 -1752 -1755 41
    1731 1740 -1734 -1737 42 1857 1863 -1860 -1866 41
    1845 1857 -1851 -1854 41 1830 1839 -1833 -1836 42
%FLAG DIHEDRALS_WITHOUT_HYDROGEN
%FORMAT(10I8)
      81 84 93 96 1 81 84 -93 96 2
      72 66 81 84 4 66 81 84 87 2
      66 81 84 90 2 66 81 84 93 1
      66 81 -84 93 2 60 30 24 72 6
      48 45 57 60 8 45 57 60 63 9
      39 33 30 60 11 39 45 -57 60 8
      33 30 24 72 6 33 30 60 57 13
      33 30 60 63 13 33 39 45 48 10
      33 39 -45 57 10 30 24 72 66 5
      30 33 39 45 12 30 60 -57 45 9
      24 21 -15 66 14 24 21 -15 66 15
      24 30 33 39 11 24 30 60 57 13
      24 30 60 63 13 24 72 66 81 5
      21 15 -66 72 5 21 15 66 81 16
      21 15 -66 81 17 21 24 30 33 18
      21 24 -30 33 6 21 24 30 60 6
      21 24 -72 66 5 15 21 24 30 19
      15 21 -24 30 15 15 21 -24 72 14
      15 21 -24 72 15 15 66 -72 24 20
      15 66 -72 24 21 15 66 -72 24 22
      15 66 81 84 4 6 15 21 24 14
       6 15 -21 24 15 6 15 66 72 20
       6 15 -66 72 21 6 15 -66 72 22
       6 15 66 81 5 3 6 15 21 16
       3 6 -15 21 17 3 6 15 66 5
     171 174 183 186 1 171 174 -183 186 2
     162 156 171 174 4 156 171 174 177 2
     156 171 174 180 2 156 171 174 183 1
     156 171 -174 183 2 150 120 114 162 6
     138 135 147 150 8 135 147 150 153 9
     129 123 120 150 11 129 135 -147 150 8
     123 120 114 162 6 123 120 150 147 13
     123 120 150 153 13 123 129 135 138 10
     123 129 -135 147 10 120 114 162 156 5
     120 123 129 135 12 120 150 -147 135 9
     114 111 -105 156 14 114 111 -105 156 15
     114 120 123 129 11 114 120 150 147 13
     114 120 150 153 13 114 162 156 171 5
     111 105 -156 162 5 111 105 156 171 16
     111 105 -156 171 17 111 114 120 123 18
     111 114 -120 123 6 111 114 120 150 6
     111 114 -162 156 5 105 111 114 120 19
     105 111 -114 120 15 105 111 -114 162 14
     105 111 -114 162 15 105 156 -162 114 20
     105 156 -162 114 21 105 156 -162 114 22
     105 156 171 174 4 96 105 111 114 14
      96 105 -111 114 15 96 105 156 162 20
      96 105 -156 162 21 96 105 -156 162 22
      96 105 156 171 5 93 96 105 111 16
      93 96 -105 111 17 93 96 105 156 5
      90 84 93 96 2 87 84 93 96 2
      84 93 96 105 4 267 270 279 282 1
     267 270 -279 282 2 258 252 267 270 4
     252 267 270 273 2 252 267 270 276 2
     252 267 270 279 1 252 267 -270 279 2
     249 210 204 258 6 237 225 222 249 26
     237 240 -246 249 25 228 225 222 249 26
     228 225 237 240 8 225 222 249 246 27
     225 237 -240 246 25 222 225 237 240 8
     222 249 -246 240 28 219 213 -210 249 29
     219 222 225 228 26 219 222 225 237 26
     219 222 249 246 27 213 210 204 258 6
     213 210 -249 222 31 213 210 249 246 31
     213 219 222 225 10 213 219 -222 249 10
     210 204 258 252 5 210 213 -219 222 30
     210 249 -222 219 27 210 249 222 225 27
     210 249 246 240 28 204 201 -195 252 14
     204 201 -195 252 15 204 210 213 219 29
     204 210 249 222 31 204 210 249 246 31
     204 258 252 267 5 201 195 -252 258 5
     201 195 252 267 16 201 195 -252 267 17
     201 204 210 213 18 201 204 -210 213 6
     201 204 210 249 6 201 204 -258 252 5
     195 201 204 210 19 195 201 -204 210 15
     195 201 -204 258 14 195 201 -204 258 15
     195 252 -258 204 20 195 252 -258 204 21
     195 252 -258 204 22 195 252 267 270 4
     186 195 201 204 14 186 195 -201 204 15
     186 195 252 258 20 186 195 -252 258 21
     186 195 -252 258 22 186 195 252 267 5
     183 186 195 201 16 183 186 -195 201 17
     183 186 195 252 5 180 174 183 186 2
     177 174 183 186 2 174 183 186 195 4
     363 366 375 378 1 363 366 -375 378 2
     354 348 363 366 4 348 363 366 369 2
     348 363 366 372 2 348 363 366 375 1
     348 363 -366 375 2 345 306 300 354 6
     333 321 318 345 26 333 336 -342 345 25
     324 321 318 345 26 324 321 333 336 8
     321 318 345 342 27 321 333 -336 342 25
     318 321 333 336 8 318 345 -342 336 28
     315 309 -306 345 29 315 318 321 324 26
     315 318 321 333 26 315 318 345 342 27
     309 306 300 354 6 309 306 -345 318 31
     309 306 345 342 31 309 315 318 321 10
     309 315 -318 345 10 306 300 354 348 5
     306 309 -315 318 30 306 345 -318 315 27
     306 345 318 321 27 306 345 342 336 28
     300 297 -291 348 14 300 297 -291 348 15
     300 306 309 315 29 300 306 345 318 31
     300 306 345 342 31 300 354 348 363 5
     297 291 -348 354 5 297 291 348 363 16
     297 291 -348 363 17 297 300 306 309 18
     297 300 -306 309 6 297 300 306 345 6
     297 300 -354 348 5 291 297 300 306 19
     291 297 -300 306 15 291 297 -300 354 14
     291 297 -300 354 15 291 348 -354 300 20
     291 348 -354 300 21 291 348 -354 300 22
     291 348 363 366 4 282 291 297 300 14
     282 291 -297 300 15 282 291 348 354 20
     282 291 -348 354 21 282 291 -348 354 22
     282 291 348 363 5 279 282 291 297 16
     279 282 -291 297 17 279 282 291 348 5
     276 270 279 282 2 273 270 279 282 2
     270 279 282 291 4 453 456 465 468 1
     453 456 -465 468 2 444 438 453 456 4
     438 453 456 459 2 438 453 456 462 2
     438 453 456 465 1 438 453 -456 465 2
     432 402 396 444 6 420 417 429 432 8
     417 429 432 435 9 411 405 402 432 11
     411 417 -429 432 8 405 402 396 444 6
     405 402 432 429 13 405 402 432 435 13
     405 411 417 420 10 405 411 -417 429 10
     402 396 444 438 5 402 405 411 417 12
     402 432 -429 417 9 396 393 -387 438 14
     396 393 -387 438 15 396 402 405 411 11
     396 402 432 429 13 396 402 432 435 13
     396 444 438 453 5 393 387 -438 444 5
     393 387 438 453 16 393 387 -438 453 17
     393 396 402 405 18 393 396 -402 405 6
     393 396 402 432 6 393 396 -444 438 5
     387 393 396 402 19 387 393 -396 402 15
     387 393 -396 444 14 387 393 -396 444 15
     387 438 -444 396 20 387 438 -444 396 21
     387 438 -444 396 22 387 438 453 456 4
     378 387 393 396 14 378 387 -393 396 15
     378 387 438 444 20 378 387 -438 444 21
     378 387 -438 444 22 378 387 438 453 5
     375 378 387 393 16 375 378 -387 393 17
     375 378 387 438 5 372 366 375 378 2
     369 366 375 378 2 366 375 378 387 4
     552 555 564 567 1 552 555 -564 567 2
     543 537 552 555 4 537 552 555 558 2
     537 552 555 561 2 537 552 555 564 1
     537 552 -555 564 2 534 492 486 543 6
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     513 519 -531 534 8 510 507 504 534 33
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     648 651 -660 663 2 639 633 648 651 4
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     633 648 651 660 1 633 648 -651 660 2
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    1119 1122 -1131 1134 2 1110 1104 1119 1122 4
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    1173 1170 1197 1194 27 1173 1185 -1188 1194 25
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    1167 1161 -1158 1197 29 1167 1170 1173 1176 26
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    1161 1158 1197 1194 31 1161 1167 1170 1173 10
    1161 1167 -1170 1197 10 1158 1152 1206 1200 5
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    1149 1143 -1200 1215 17 1149 1152 1158 1161 18
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    1143 1149 -1152 1206 15 1143 1200 -1206 1152 20
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    1134 1143 1200 1215 5 1131 1134 1143 1149 16
    1131 1134 -1143 1149 17 1131 1134 1143 1200 5
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    1122 1131 1134 1143 4 1311 1314 1323 1326 1
    1311 1314 -1323 1326 2 1302 1296 1311 1314 4
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    1263 1266 1269 1272 26 1263 1266 1269 1281 26
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    1257 1263 1266 1269 10 1257 1263 -1266 1293 10
    1254 1248 1302 1296 5 1254 1257 -1263 1266 30
    1254 1293 -1266 1263 27 1254 1293 1266 1269 27
    1254 1293 1290 1284 28 1248 1245 -1239 1296 14
    1248 1245 -1239 1296 15 1248 1254 1257 1263 29
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    1245 1239 1296 1311 16 1245 1239 -1296 1311 17
    1245 1248 1254 1257 18 1245 1248 -1254 1257 6
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    1239 1245 1248 1254 19 1239 1245 -1248 1254 15
    1239 1245 -1248 1302 14 1239 1245 -1248 1302 15
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    1239 1296 -1302 1248 22 1239 1296 1311 1314 4
    1230 1239 1245 1248 14 1230 1239 -1245 1248 15
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    1230 1239 -1296 1302 22 1230 1239 1296 1311 5
    1227 1230 1239 1245 16 1227 1230 -1239 1245 17
    1227 1230 1239 1296 5 1224 1218 1227 1230 2
    1221 1218 1227 1230 2 1218 1227 1230 1239 4
    1401 1404 1413 1416 1 1401 1404 -1413 1416 2
    1392 1386 1401 1404 4 1386 1401 1404 1407 2
    1386 1401 1404 1410 2 1386 1401 1404 1413 1
    1386 1401 -1404 1413 2 1380 1350 1344 1392 6
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    1353 1350 1380 1383 13 1353 1359 1365 1368 10
    1353 1359 -1365 1377 10 1350 1344 1392 1386 5
    1350 1353 1359 1365 12 1350 1380 -1377 1365 9
    1344 1341 -1335 1386 14 1344 1341 -1335 1386 15
    1344 1350 1353 1359 11 1344 1350 1380 1377 13
    1344 1350 1380 1383 13 1344 1392 1386 1401 5
    1341 1335 -1386 1392 5 1341 1335 1386 1401 16
    1341 1335 -1386 1401 17 1341 1344 1350 1353 18
    1341 1344 -1350 1353 6 1341 1344 1350 1380 6
    1341 1344 -1392 1386 5 1335 1341 1344 1350 19
    1335 1341 -1344 1350 15 1335 1341 -1344 1392 14
    1335 1341 -1344 1392 15 1335 1386 -1392 1344 20
    1335 1386 -1392 1344 21 1335 1386 -1392 1344 22
    1335 1386 1401 1404 4 1326 1335 1341 1344 14
    1326 1335 -1341 1344 15 1326 1335 1386 1392 20
    1326 1335 -1386 1392 21 1326 1335 -1386 1392 22
    1326 1335 1386 1401 5 1323 1326 1335 1341 16
    1323 1326 -1335 1341 17 1323 1326 1335 1386 5
    1320 1314 1323 1326 2 1317 1314 1323 1326 2
    1314 1323 1326 1335 4 1500 1503 1512 1515 1
    1500 1503 -1512 1515 2 1491 1485 1500 1503 4
    1485 1500 1503 1506 2 1485 1500 1503 1509 2
    1485 1500 1503 1512 1 1485 1500 -1503 1512 2
    1482 1440 1434 1491 6 1470 1467 1479 1482 8
    1461 1455 1452 1482 33 1461 1467 -1479 1482 8
    1458 1455 1452 1482 33 1458 1455 1461 1467 34
    1455 1452 1482 1479 27 1455 1461 1467 1470 32
    1455 1461 -1467 1479 32 1452 1455 1461 1467 34
    1452 1482 -1479 1467 28 1449 1443 -1440 1482 29
    1449 1452 1455 1458 33 1449 1452 1455 1461 33
    1449 1452 1482 1479 27 1443 1440 1434 1491 6
    1443 1440 -1482 1452 31 1443 1440 1482 1479 31
    1443 1449 1452 1455 10 1443 1449 -1452 1482 10
    1440 1434 1491 1485 5 1440 1443 -1449 1452 30
    1440 1482 -1452 1449 27 1440 1482 1452 1455 27
    1440 1482 1479 1467 28 1434 1431 -1425 1485 14
    1434 1431 -1425 1485 15 1434 1440 1443 1449 29
    1434 1440 1482 1452 31 1434 1440 1482 1479 31
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    1431 1425 1485 1500 16 1431 1425 -1485 1500 17
    1431 1434 1440 1443 18 1431 1434 -1440 1443 6
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    1425 1431 1434 1440 19 1425 1431 -1434 1440 15
    1425 1431 -1434 1491 14 1425 1431 -1434 1491 15
    1425 1485 -1491 1434 20 1425 1485 -1491 1434 21
    1425 1485 -1491 1434 22 1425 1485 1500 1503 4
    1416 1425 1431 1434 14 1416 1425 -1431 1434 15
    1416 1425 1485 1491 20 1416 1425 -1485 1491 21
    1416 1425 -1485 1491 22 1416 1425 1485 1500 5
    1413 1416 1425 1431 16 1413 1416 -1425 1431 17
    1413 1416 1425 1485 5 1410 1404 1413 1416 2
    1407 1404 1413 1416 2 1404 1413 1416 1425 4
    1596 1599 1608 1611 1 1596 1599 -1608 1611 2
    1587 1581 1596 1599 4 1581 1596 1599 1602 2
    1581 1596 1599 1605 2 1581 1596 1599 1608 1
    1581 1596 -1599 1608 2 1575 1539 1533 1587 6
    1566 1563 1569 1575 34 1563 1569 1575 1578 34
    1551 1548 1563 1566 36 1551 1548 1563 1569 36
    1548 1542 1539 1575 11 1548 1563 -1569 1575 34
    1542 1539 1533 1587 6 1542 1539 1575 1569 13
    1542 1539 1575 1578 13 1542 1548 1563 1566 36
    1542 1548 -1563 1566 39 1542 1548 -1563 1569 36
    1539 1533 1587 1581 5 1539 1542 1548 1551 12
    1539 1542 1548 1563 12 1539 1575 -1569 1563 34
    1533 1530 -1524 1581 14 1533 1530 -1524 1581 15
    1533 1539 1542 1548 11 1533 1539 1575 1569 13
    1533 1539 1575 1578 13 1533 1587 1581 1596 5
    1530 1524 -1581 1587 5 1530 1524 1581 1596 16
    1530 1524 -1581 1596 17 1530 1533 1539 1542 18
    1530 1533 -1539 1542 6 1530 1533 1539 1575 6
    1530 1533 -1587 1581 5 1524 1530 1533 1539 19
    1524 1530 -1533 1539 15 1524 1530 -1533 1587 14
    1524 1530 -1533 1587 15 1524 1581 -1587 1533 20
    1524 1581 -1587 1533 21 1524 1581 -1587 1533 22
    1524 1581 1596 1599 4 1515 1524 1530 1533 14
    1515 1524 -1530 1533 15 1515 1524 1581 1587 20
    1515 1524 -1581 1587 21 1515 1524 -1581 1587 22
    1515 1524 1581 1596 5 1512 1515 1524 1530 16
    1512 1515 -1524 1530 17 1512 1515 1524 1581 5
    1509 1503 1512 1515 2 1506 1503 1512 1515 2
    1503 1512 1515 1524 4 1692 1695 1704 1707 1
    1692 1695 -1704 1707 2 1683 1677 1692 1695 4
    1677 1692 1695 1698 2 1677 1692 1695 1701 2
    1677 1692 1695 1704 1 1677 1692 -1695 1704 2
    1671 1635 1629 1683 6 1662 1659 1665 1671 34
    1659 1665 1671 1674 34 1647 1644 1659 1662 36
    1647 1644 1659 1665 36 1644 1638 1635 1671 11
    1644 1659 -1665 1671 34 1638 1635 1629 1683 6
    1638 1635 1671 1665 13 1638 1635 1671 1674 13
    1638 1644 1659 1662 36 1638 1644 -1659 1662 39
    1638 1644 -1659 1665 36 1635 1629 1683 1677 5
    1635 1638 1644 1647 12 1635 1638 1644 1659 12
    1635 1671 -1665 1659 34 1629 1626 -1620 1677 14
    1629 1626 -1620 1677 15 1629 1635 1638 1644 11
    1629 1635 1671 1665 13 1629 1635 1671 1674 13
    1629 1683 1677 1692 5 1626 1620 -1677 1683 5
    1626 1620 1677 1692 16 1626 1620 -1677 1692 17
    1626 1629 1635 1638 18 1626 1629 -1635 1638 6
    1626 1629 1635 1671 6 1626 1629 -1683 1677 5
    1620 1626 1629 1635 19 1620 1626 -1629 1635 15
    1620 1626 -1629 1683 14 1620 1626 -1629 1683 15
    1620 1677 -1683 1629 20 1620 1677 -1683 1629 21
    1620 1677 -1683 1629 22 1620 1677 1692 1695 4
    1611 1620 1626 1629 14 1611 1620 -1626 1629 15
    1611 1620 1677 1683 20 1611 1620 -1677 1683 21
    1611 1620 -1677 1683 22 1611 1620 1677 1692 5
    1608 1611 1620 1626 16 1608 1611 -1620 1626 17
    1608 1611 1620 1677 5 1605 1599 1608 1611 2
    1602 1599 1608 1611 2 1599 1608 1611 1620 4
    1791 1794 1803 1806 1 1791 1794 -1803 1806 2
    1782 1776 1791 1794 4 1776 1791 1794 1797 2
    1776 1791 1794 1800 2 1776 1791 1794 1803 1
    1776 1791 -1794 1803 2 1773 1731 1725 1782 6
    1761 1758 1770 1773 8 1752 1746 1743 1773 33
    1752 1758 -1770 1773 8 1749 1746 1743 1773 33
    1749 1746 1752 1758 34 1746 1743 1773 1770 27
    1746 1752 1758 1761 32 1746 1752 -1758 1770 32
    1743 1746 1752 1758 34 1743 1773 -1770 1758 28
    1740 1734 -1731 1773 29 1740 1743 1746 1749 33
    1740 1743 1746 1752 33 1740 1743 1773 1770 27
    1734 1731 1725 1782 6 1734 1731 -1773 1743 31
    1734 1731 1773 1770 31 1734 1740 1743 1746 10
    1734 1740 -1743 1773 10 1731 1725 1782 1776 5
    1731 1734 -1740 1743 30 1731 1773 -1743 1740 27
    1731 1773 1743 1746 27 1731 1773 1770 1758 28
    1725 1722 -1716 1776 14 1725 1722 -1716 1776 15
    1725 1731 1734 1740 29 1725 1731 1773 1743 31
    1725 1731 1773 1770 31 1725 1782 1776 1791 5
    1722 1716 -1776 1782 5 1722 1716 1776 1791 16
    1722 1716 -1776 1791 17 1722 1725 1731 1734 18
    1722 1725 -1731 1734 6 1722 1725 1731 1773 6
    1722 1725 -1782 1776 5 1716 1722 1725 1731 19
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    1716 1776 -1782 1725 21 1716 1776 -1782 1725 22
    1716 1776 1791 1794 4 1707 1716 1722 1725 14
    1707 1716 -1722 1725 15 1707 1716 1776 1782 20
    1707 1716 -1776 1782 21 1707 1716 -1776 1782 22
    1707 1716 1776 1791 5 1704 1707 1716 1722 16
    1704 1707 -1716 1722 17 1704 1707 1716 1776 5
    1701 1695 1704 1707 2 1698 1695 1704 1707 2
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    1839 1842 1845 1851 33 1839 1842 1872 1869 27
    1833 1830 1824 1881 6 1833 1830 -1872 1842 31
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    1833 1839 -1842 1872 10 1830 1824 1881 1875 5
    1830 1833 -1839 1842 30 1830 1872 -1842 1839 27
    1830 1872 1842 1845 27 1830 1872 1869 1857 28
    1824 1821 -1815 1875 14 1824 1821 -1815 1875 15
    1824 1830 1833 1839 29 1824 1830 1872 1842 31
    1824 1830 1872 1869 31 1824 1881 1875 1890 5
    1821 1815 -1875 1881 5 1821 1815 1875 1890 16
    1821 1815 -1875 1890 17 1821 1824 1830 1833 18
    1821 1824 -1830 1833 6 1821 1824 1830 1872 6
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    1815 1875 -1881 1824 21 1815 1875 -1881 1824 22
    1806 1815 1821 1824 14 1806 1815 -1821 1824 15
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    1806 1815 -1875 1881 22 1806 1815 1875 1890 5
    1803 1806 1815 1821 16 1803 1806 -1815 1821 17
    1803 1806 1815 1875 5 1800 1794 1803 1806 2
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      30 57 -60 -63 40 57 39 -45 -48 42
      33 60 -30 -24 41 120 147 -150 -153 40
     129 138 -135 -147 42 150 123 -120 -114 41
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     813 804 -810 -822 42 795 804 -798 -801 40
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       8 23 4 5 6 7 8 9 23 24
      25 28 5 6 7 8 23 6 7 8
      23 7 8 9 10 11 23 24 25 26
      27 28 29 8 9 23 24 25 28 9
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%FLAG HBOND_ACOEF
%FORMAT(5E16.8)

%FLAG HBOND_BCOEF
%FORMAT(5E16.8)

%FLAG HBCUT
%FORMAT(5E16.8)

%FLAG AMBER_ATOM_TYPE
%FORMAT(20a4)
HO OH CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC
C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2
N* CM H4 CM HA CA N2 H H NC C O CT H1 CT HC HC OS P O2
O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC
CQ H5 NC CB CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS
CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC
HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA
N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT
H1 OS CT H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT
H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4
CM CT HC HC HC C O NA H C O CT H1 CT HC HC OS P O2 O2
OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA
H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT
H2 N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC
HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5 NB CB C
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H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC C O CT H1
CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM
HA CA N2 H H NC C O CT H1 CT HC HC OS P O2 O2 OS CT H1
H1 CT H1 OS CT H2 N* CK H5 NB CB CA N2 H H NC CQ H5 NC CB
CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK
H5 NB CB CA N2 H H NC CQ H5 NC CB CT H1 CT HC HC OS P O2
O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM HA CA N2 H H NC
C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2
N* CK H5 NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC
OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CM H4 CM CT HC HC
HC C O NA H C O CT H1 CT HC HC OS P O2 O2 OS CT H1 H1
CT H1 OS CT H2 N* CM H4 CM CT HC HC HC C O NA H C O CT
H1 CT HC HC OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 N* CK H5
NB CB C O NA H CA N2 H H NC CB CT H1 CT HC HC OS P O2
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%FORMAT(20a4)
M M M E E M E S 3 E B S E S E B B E E S
B E M E B E E M M E E M M E E M E S 3 E
B S E S E B B E E S B E M E B E E M M E
E M M E E M E S 3 E B S E E B B B E E S
S E E B M E B E E M M E E M M E E M E S
3 E B S E E B B B E E S S E E B M E B E
E M M E E M M E E M E S 3 E B S E S E B
B E E S B E M E B E E M M E E M M E E M
E S 3 E B S E E B B E B E S B E E E B M
E B E E M M E E M M E E M E S 3 E B S E
S 3 E E E B E B E B E M E B E E M M E E
M M E E M E S 3 E B S E S 3 E E E B E B
E B E M E B E E M M E E M M E E M E S 3
E B S E E B B E B E S B E E E B M E B E
E M M E E M M E E M E S 3 E B S E E B B
E B E S B E E E B M E B E E M M M M M E
E M E S 3 E B S E S E B B E E S B E M E
B E E M M E E M M E E M E S 3 E B S E S
E B B E E S B E M E B E E M M E E M M E
E M E S 3 E B S E E B B B E E S S E E B
M E B E E M M E E M M E E M E S 3 E B S
E E B B B E E S S E E B M E B E E M M E
E M M E E M E S 3 E B S E S E B B E E S
B E M E B E E M M E E M M E E M E S 3 E
B S E E B B E B E S B E E E B M E B E E
M M E E M M E E M E S 3 E B S E S 3 E E
E B E B E B E M E B E E M M E E M M E E
M E S 3 E B S E S 3 E E E B E B E B E M
E B E E M M E E M M E E M E S 3 E B S E
E B B E B E S B E E E B M E B E E M M E
E M M E E M E S 3 E B S E E B B E B E S
B E E E B M E B E E M M
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  7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01

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