0 0 2 This is a remark line molecule.res MOL INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 C1 c3 M 3 2 1 1.540 111.208 180.000 0.000000 5 H2 hc E 4 3 2 1.093 180.000 90.000 0.000000 6 H3 hc E 4 3 2 1.092 71.034 -180.000 0.000000 7 H4 hc E 4 3 2 1.092 71.368 -62.123 0.000000 8 C5 c M 4 3 2 1.510 69.451 58.772 0.000000 9 O6 o E 8 4 3 1.217 123.530 -179.472 0.000000 10 O7 os M 8 4 3 1.353 112.253 0.581 0.000000 11 C8 c3 M 10 8 4 1.453 118.386 -177.590 0.000000 12 H9 h1 E 11 10 8 1.094 109.841 -56.694 0.000000 13 H10 h1 E 11 10 8 1.095 108.760 62.811 0.000000 14 C11 c3 M 11 10 8 1.543 108.757 -176.877 0.000000 15 O12 oh S 14 11 10 1.436 108.424 64.838 0.000000 16 H13 ho E 15 14 11 0.978 106.542 -75.542 0.000000 17 H14 h1 E 14 11 10 1.094 108.775 -53.517 0.000000 18 C15 c3 M 14 11 10 1.553 111.282 -173.186 0.000000 19 O16 oh S 18 14 11 1.439 108.807 63.334 0.000000 20 H17 ho E 19 18 14 0.979 107.588 -161.030 0.000000 21 H18 h1 E 18 14 11 1.094 108.111 -54.369 0.000000 22 C19 c3 M 18 14 11 1.560 112.258 -173.993 0.000000 23 H37 h1 E 22 18 14 1.095 107.605 68.012 0.000000 24 O38 os E 22 18 14 1.459 108.461 -48.463 0.000000 25 C20 c3 M 22 18 14 1.564 113.728 -171.773 0.000000 26 N21 n B 25 22 18 1.476 111.528 -72.294 0.000000 27 C22 c B 26 25 22 1.347 125.951 91.163 0.000000 28 C23 c3 3 27 26 25 1.512 114.722 175.257 0.000000 29 H24 hc E 28 27 26 1.091 110.509 -172.568 0.000000 30 H25 hc E 28 27 26 1.092 110.266 -52.670 0.000000 31 H26 hc E 28 27 26 1.092 110.241 67.027 0.000000 32 O27 o E 27 26 25 1.215 122.679 -4.978 0.000000 33 H28 hn E 26 25 22 1.009 116.326 -93.112 0.000000 34 H36 h1 E 25 22 18 1.094 108.900 47.982 0.000000 35 C29 c3 M 25 22 18 1.553 111.418 165.979 0.000000 36 O30 oh S 35 25 22 1.434 110.163 -166.889 0.000000 37 H31 ho E 36 35 25 0.985 107.826 79.755 0.000000 38 H35 h1 E 35 25 22 1.093 108.628 74.491 0.000000 39 C32 c3 M 35 25 22 1.543 112.270 -45.432 0.000000 40 H33 hc E 39 35 25 1.094 109.436 -62.840 0.000000 41 H34 hc E 39 35 25 1.091 110.519 -179.941 0.000000 42 C39 c3 M 39 35 25 1.548 110.027 56.409 0.000000 43 C40 c B 42 39 35 1.536 113.085 178.858 0.000000 44 O41 o E 43 42 39 1.217 119.782 -6.679 0.000000 45 O42 o E 43 42 39 1.215 118.610 176.724 0.000000 46 O43 os M 42 39 35 1.466 110.434 52.976 0.000000 47 C44 c3 M 46 42 39 1.452 120.456 75.467 0.000000 48 O45 oh S 47 46 42 1.428 113.066 -68.022 0.000000 49 H46 ho E 48 47 46 0.976 107.139 -177.794 0.000000 50 H47 h2 E 47 46 42 1.101 108.939 52.639 0.000000 51 C48 c3 M 47 46 42 1.546 108.372 172.338 0.000000 52 H61 h1 E 51 47 46 1.094 109.386 65.514 0.000000 53 O62 os E 51 47 46 1.452 107.502 -176.026 0.000000 54 C49 c3 M 51 47 46 1.549 112.559 -56.629 0.000000 55 O50 oh S 54 51 47 1.437 110.010 -54.214 0.000000 56 H51 ho E 55 54 51 0.977 107.299 -173.257 0.000000 57 H60 h1 E 54 51 47 1.094 109.403 65.377 0.000000 58 C52 c3 M 54 51 47 1.549 109.488 -175.724 0.000000 59 O53 oh S 58 54 51 1.436 109.372 177.372 0.000000 60 H54 ho E 59 58 54 0.977 107.799 177.727 0.000000 61 H59 h1 E 58 54 51 1.093 108.378 -64.311 0.000000 62 C55 c3 M 58 54 51 1.547 111.778 54.893 0.000000 63 O56 oh S 62 58 54 1.436 108.758 -170.088 0.000000 64 H57 ho E 63 62 58 0.976 107.621 -169.278 0.000000 65 H58 h1 E 62 58 54 1.094 109.179 69.920 0.000000 66 C63 c3 M 62 58 54 1.549 111.147 -50.680 0.000000 67 H64 h2 E 66 62 58 1.102 111.026 -71.088 0.000000 68 O65 os M 66 62 58 1.451 107.795 169.580 0.000000 69 C66 c3 M 68 66 62 1.455 119.157 -164.593 0.000000 70 H80 h1 E 69 68 66 1.094 110.836 -12.578 0.000000 71 C81 c3 3 69 68 66 1.554 108.556 108.402 0.000000 72 O82 oh S 71 69 68 1.434 109.852 -70.587 0.000000 73 H83 ho E 72 71 69 0.979 107.197 39.557 0.000000 74 H84 h1 E 71 69 68 1.094 108.458 48.551 0.000000 75 C85 c3 B 71 69 68 1.551 111.485 168.105 0.000000 76 N86 n B 75 71 69 1.478 111.070 -177.777 0.000000 77 C87 c B 76 75 71 1.354 124.751 -144.406 0.000000 78 O88 o E 77 76 75 1.213 123.171 -0.333 0.000000 79 C89 c3 3 77 76 75 1.512 114.512 179.440 0.000000 80 H90 hc E 79 77 76 1.092 110.593 178.877 0.000000 81 H91 hc E 79 77 76 1.092 110.135 -61.169 0.000000 82 H92 hc E 79 77 76 1.091 110.313 58.485 0.000000 83 H93 hn E 76 75 71 1.008 116.998 35.382 0.000000 84 H94 h1 E 75 71 69 1.094 108.417 62.792 0.000000 85 C67 c3 M 69 68 66 1.550 106.571 -131.318 0.000000 86 C68 c3 3 85 69 68 1.546 110.511 70.756 0.000000 87 O69 os S 86 85 69 1.450 109.907 -166.502 0.000000 88 C70 c B 87 86 85 1.354 119.166 177.720 0.000000 89 O71 o E 88 87 86 1.216 124.277 2.046 0.000000 90 C72 c3 3 88 87 86 1.510 112.246 -177.914 0.000000 91 H73 hc E 90 88 87 1.093 110.689 -178.389 0.000000 92 H74 hc E 90 88 87 1.093 110.090 -58.010 0.000000 93 H75 hc E 90 88 87 1.093 109.946 61.263 0.000000 94 H76 h1 E 86 85 69 1.094 110.017 72.378 0.000000 95 H77 h1 E 86 85 69 1.093 109.688 -47.756 0.000000 96 H79 h1 E 85 69 68 1.094 109.355 -49.579 0.000000 97 O78 os M 85 69 68 1.452 109.509 -168.701 0.000000 98 C95 c3 M 97 85 69 1.447 115.194 58.861 0.000000 99 H96 h2 E 98 97 85 1.099 108.933 56.090 0.000000 100 O97 os M 98 97 85 1.447 109.869 175.741 0.000000 101 C98 c3 M 100 98 97 1.456 117.617 -71.962 0.000000 102 H122 h1 E 101 100 98 1.094 109.285 37.167 0.000000 103 C123 c3 B 101 100 98 1.553 110.875 -84.064 0.000000 104 O124 oh S 103 101 100 1.433 109.895 72.882 0.000000 105 H125 ho E 104 103 101 0.977 107.626 179.205 0.000000 106 H126 h1 E 103 101 100 1.094 108.777 -47.485 0.000000 107 C99 c3 M 101 100 98 1.545 106.926 154.615 0.000000 108 O100 oh S 107 101 100 1.436 110.676 53.465 0.000000 109 H101 ho E 108 107 101 0.978 107.060 -50.344 0.000000 110 H121 h1 E 107 101 100 1.093 108.389 -65.726 0.000000 111 C102 c3 M 107 101 100 1.546 109.699 175.309 0.000000 112 C103 c3 3 111 107 101 1.547 112.033 -179.776 0.000000 113 O104 os S 112 111 107 1.450 110.825 -141.401 0.000000 114 P105 p5 3 113 112 111 1.609 119.406 75.139 0.000000 115 O106 o E 114 113 112 1.481 112.196 39.380 0.000000 116 O107 o E 114 113 112 1.481 112.734 -88.146 0.000000 117 C108 c3 3 114 113 112 1.816 102.159 155.288 0.000000 118 C109 c3 3 117 114 113 1.541 114.233 -66.082 0.000000 119 N110 n3 B 118 117 114 1.474 110.381 -175.473 0.000000 120 H111 hn E 119 118 117 1.020 110.075 -59.319 0.000000 121 H112 hn E 119 118 117 1.021 110.133 -177.097 0.000000 122 H113 h1 E 118 117 114 1.093 109.558 -55.278 0.000000 123 H114 h1 E 118 117 114 1.094 109.548 63.960 0.000000 124 H115 hc E 117 114 113 1.092 107.957 172.177 0.000000 125 H116 hc E 117 114 113 1.090 108.598 56.299 0.000000 126 H117 h1 E 112 111 107 1.095 110.561 -20.653 0.000000 127 H118 h1 E 112 111 107 1.094 109.331 98.310 0.000000 128 H120 h1 E 111 107 101 1.092 108.325 59.024 0.000000 129 O119 os M 111 107 101 1.452 109.240 -58.495 0.000000 130 C127 c3 M 129 111 107 1.450 115.781 60.769 0.000000 131 H128 h2 E 130 129 111 1.100 107.984 66.559 0.000000 132 O129 os M 130 129 111 1.452 111.687 -174.023 0.000000 133 C130 c3 M 132 130 129 1.457 122.334 -35.178 0.000000 134 H141 h1 E 133 132 130 1.094 110.238 48.908 0.000000 135 C142 c3 3 133 132 130 1.547 104.289 165.862 0.000000 136 O143 oh S 135 133 132 1.432 108.597 -71.082 0.000000 137 H144 ho E 136 135 133 0.976 107.619 57.549 0.000000 138 H145 h1 E 135 133 132 1.095 108.646 47.716 0.000000 139 C146 c3 3 135 133 132 1.546 112.636 167.668 0.000000 140 C147 c3 3 139 135 133 1.547 110.902 -172.602 0.000000 141 O148 oh S 140 139 135 1.434 110.806 -175.156 0.000000 142 H149 ho E 141 140 139 0.977 107.100 -65.257 0.000000 143 H150 h1 E 140 139 135 1.092 109.865 63.125 0.000000 144 H151 h1 E 140 139 135 1.094 109.185 -55.751 0.000000 145 H152 h1 E 139 135 133 1.091 110.056 65.947 0.000000 146 O153 os E 139 135 133 1.448 108.135 -53.427 0.000000 147 C131 c3 M 133 132 130 1.556 110.858 -73.263 0.000000 148 N132 n B 147 133 132 1.474 111.720 74.245 0.000000 149 C133 c B 148 147 133 1.349 124.962 -117.585 0.000000 150 C134 c3 3 149 148 147 1.509 114.726 -175.671 0.000000 151 H135 hc E 150 149 148 1.092 110.550 -165.942 0.000000 152 H136 hc E 150 149 148 1.090 110.275 -45.762 0.000000 153 H137 hc E 150 149 148 1.091 110.012 73.703 0.000000 154 O138 o E 149 148 147 1.214 122.633 4.261 0.000000 155 H139 hn E 148 147 133 1.008 116.818 64.615 0.000000 156 H140 h1 E 147 133 132 1.093 107.122 -45.422 0.000000 157 C154 c3 M 147 133 132 1.551 111.646 -162.034 0.000000 158 H155 h2 E 157 147 133 1.100 111.603 -69.166 0.000000 159 O156 os M 157 147 133 1.449 109.585 168.892 0.000000 160 C157 c3 M 159 157 147 1.458 119.106 99.504 0.000000 161 H158 h1 E 160 159 157 1.093 110.786 -41.283 0.000000 162 C159 c3 M 160 159 157 1.554 105.297 -158.829 0.000000 163 O160 oh S 162 160 159 1.436 110.222 72.862 0.000000 164 H161 ho E 163 162 160 0.976 108.130 -59.378 0.000000 165 H162 h1 E 162 160 159 1.092 107.958 -45.570 0.000000 166 C163 c3 M 162 160 159 1.546 113.133 -164.505 0.000000 167 O164 oh S 166 162 160 1.437 110.011 -68.187 0.000000 168 H165 ho E 167 166 162 0.976 107.189 -57.100 0.000000 169 H166 h1 E 166 162 160 1.092 108.988 172.310 0.000000 170 C167 c3 M 166 162 160 1.545 107.910 53.936 0.000000 171 C168 c3 3 170 166 162 1.549 115.790 176.845 0.000000 172 O169 os S 171 170 166 1.451 110.492 67.837 0.000000 173 C170 c3 B 172 171 170 1.454 118.467 -178.972 0.000000 174 C171 c3 3 173 172 171 1.550 106.019 157.457 0.000000 175 C172 c3 3 174 173 172 1.544 111.824 -167.663 0.000000 176 O173 oh S 175 174 173 1.429 108.658 177.394 0.000000 177 H174 ho E 176 175 174 0.976 108.473 179.420 0.000000 178 C175 c3 3 175 174 173 1.546 110.383 56.961 0.000000 179 N176 n B 178 175 174 1.477 111.013 178.897 0.000000 180 C177 c B 179 178 175 1.351 124.565 -137.244 0.000000 181 O178 o E 180 179 178 1.217 122.625 -1.125 0.000000 182 C179 c3 3 180 179 178 1.511 114.578 179.344 0.000000 183 H180 hc E 182 180 179 1.091 110.696 -173.710 0.000000 184 H181 hc E 182 180 179 1.094 110.219 -53.678 0.000000 185 H182 hc E 182 180 179 1.093 110.248 65.951 0.000000 186 H183 hn E 179 178 175 1.008 117.005 41.744 0.000000 187 C184 c3 3 178 175 174 1.552 109.034 -57.406 0.000000 188 C185 c3 3 187 178 175 1.557 113.596 176.322 0.000000 189 O186 oh S 188 187 178 1.435 110.304 -52.655 0.000000 190 H187 ho E 189 188 187 0.978 107.960 66.354 0.000000 191 C188 c3 3 188 187 178 1.552 112.463 -174.655 0.000000 192 C189 c3 3 191 188 187 1.545 110.780 -169.165 0.000000 193 O190 os S 192 191 188 1.453 109.232 -170.666 0.000000 194 C191 c B 193 192 191 1.352 119.015 177.458 0.000000 195 O192 o E 194 193 192 1.216 124.448 2.326 0.000000 196 C193 c3 3 194 193 192 1.511 112.057 -177.229 0.000000 197 H194 hc E 196 194 193 1.091 110.565 175.773 0.000000 198 H195 hc E 196 194 193 1.091 109.941 55.669 0.000000 199 H196 hc E 196 194 193 1.092 110.050 -63.631 0.000000 200 H197 h1 E 192 191 188 1.095 109.876 -51.693 0.000000 201 H198 h1 E 192 191 188 1.096 110.281 68.749 0.000000 202 O199 oh S 191 188 187 1.433 109.862 -48.594 0.000000 203 H200 ho E 202 191 188 0.977 107.938 85.062 0.000000 204 H201 h1 E 191 188 187 1.093 109.228 71.125 0.000000 205 H202 h1 E 188 187 178 1.095 108.290 65.924 0.000000 206 O203 os E 187 178 175 1.459 109.715 54.152 0.000000 207 H204 h1 E 187 178 175 1.093 107.902 -64.223 0.000000 208 H205 h1 E 178 175 174 1.094 107.262 60.044 0.000000 209 H206 h1 E 175 174 173 1.096 109.402 -63.724 0.000000 210 H207 hc E 174 173 172 1.092 108.974 -46.895 0.000000 211 H208 hc E 174 173 172 1.093 110.137 70.175 0.000000 212 C209 c B 173 172 171 1.540 109.189 -83.395 0.000000 213 O210 o E 212 173 172 1.215 118.711 -52.441 0.000000 214 O211 o E 212 173 172 1.218 120.263 127.251 0.000000 215 O212 oh S 171 170 166 1.429 107.420 -169.261 0.000000 216 H213 ho E 215 171 170 0.976 106.431 -52.519 0.000000 217 H214 h2 E 171 170 166 1.101 110.077 -52.209 0.000000 218 H215 h1 E 170 166 162 1.095 108.202 56.427 0.000000 219 O216 os M 170 166 162 1.446 107.893 -60.315 0.000000 220 C217 c3 M 219 170 166 1.444 117.758 64.360 0.000000 221 H218 h2 E 220 219 170 1.100 108.834 68.174 0.000000 222 O219 os M 220 219 170 1.454 108.767 -172.629 0.000000 223 C220 c3 M 222 220 219 1.468 122.774 -69.331 0.000000 224 H234 h1 E 223 222 220 1.094 109.483 -65.781 0.000000 225 C235 c3 3 223 222 220 1.562 112.869 55.475 0.000000 226 O236 oh S 225 223 222 1.439 109.300 -84.688 0.000000 227 H237 ho E 226 225 223 0.977 107.471 -171.482 0.000000 228 H238 h1 E 225 223 222 1.095 109.139 35.997 0.000000 229 C239 c3 B 225 223 222 1.551 113.521 156.578 0.000000 230 N240 n B 229 225 223 1.476 111.635 -173.015 0.000000 231 C241 c B 230 229 225 1.352 124.614 -112.221 0.000000 232 C242 c3 3 231 230 229 1.509 114.958 -174.724 0.000000 233 H243 hc E 232 231 230 1.092 110.495 -55.431 0.000000 234 H244 hc E 232 231 230 1.093 110.579 -175.612 0.000000 235 H245 hc E 232 231 230 1.092 109.986 64.518 0.000000 236 O246 o E 231 230 229 1.215 122.662 4.375 0.000000 237 H247 hn E 230 229 225 1.009 117.010 72.292 0.000000 238 H248 h1 E 229 225 223 1.094 107.021 68.483 0.000000 239 C221 c3 M 223 222 220 1.552 104.062 177.443 0.000000 240 C222 c3 3 239 223 222 1.544 111.384 71.593 0.000000 241 O223 os S 240 239 223 1.451 108.955 -145.697 0.000000 242 C224 c B 241 240 239 1.347 118.910 -178.912 0.000000 243 C225 c3 3 242 241 240 1.508 112.191 -178.983 0.000000 244 H226 hc E 243 242 241 1.092 110.183 -46.936 0.000000 245 H227 hc E 243 242 241 1.090 109.965 72.376 0.000000 246 H228 hc E 243 242 241 1.093 110.625 -166.874 0.000000 247 O229 o E 242 241 240 1.214 124.305 0.718 0.000000 248 H230 h1 E 240 239 223 1.091 110.191 -26.918 0.000000 249 H231 h1 E 240 239 223 1.096 110.093 93.524 0.000000 250 H233 h1 E 239 223 222 1.094 108.506 -48.028 0.000000 251 O232 os M 239 223 222 1.450 111.379 -166.800 0.000000 252 C249 c3 M 251 239 223 1.441 114.176 61.466 0.000000 253 H250 h2 E 252 251 239 1.102 108.771 53.802 0.000000 254 O251 os M 252 251 239 1.450 113.517 174.139 0.000000 255 C252 c3 M 254 252 251 1.453 122.443 -18.142 0.000000 256 H257 h1 E 255 254 252 1.093 109.548 39.340 0.000000 257 C258 c3 3 255 254 252 1.548 104.938 155.459 0.000000 258 O259 oh S 257 255 254 1.436 110.406 53.939 0.000000 259 H260 ho E 258 257 255 0.979 107.180 -60.019 0.000000 260 H261 h1 E 257 255 254 1.092 108.857 -64.826 0.000000 261 C262 c3 3 257 255 254 1.545 110.260 175.539 0.000000 262 C263 c3 3 261 257 255 1.540 112.323 -174.149 0.000000 263 O264 oh S 262 261 257 1.430 108.456 -177.617 0.000000 264 H265 ho E 263 262 261 0.977 107.170 -51.997 0.000000 265 H266 h1 E 262 261 257 1.095 110.413 61.935 0.000000 266 H267 h1 E 262 261 257 1.093 109.668 -57.961 0.000000 267 H268 h1 E 261 257 255 1.095 109.636 63.667 0.000000 268 O269 os E 261 257 255 1.443 109.065 -55.452 0.000000 269 C253 c3 M 255 254 252 1.559 112.464 -83.276 0.000000 270 O254 oh S 269 255 254 1.431 109.609 71.968 0.000000 271 H255 ho E 270 269 255 0.979 107.963 171.198 0.000000 272 H256 h1 E 269 255 254 1.093 109.815 -48.668 0.000000 273 C270 c3 M 269 255 254 1.554 110.119 -169.041 0.000000 274 H271 h2 E 273 269 255 1.101 110.453 -67.956 0.000000 275 O272 os M 273 269 255 1.449 110.413 171.692 0.000000 276 C273 c3 M 275 273 269 1.457 116.722 -178.283 0.000000 277 H274 h1 E 276 275 273 1.091 110.441 -1.538 0.000000 278 C275 c3 M 276 275 273 1.547 108.127 117.892 0.000000 279 O276 oh S 278 276 275 1.431 108.665 -74.289 0.000000 280 H277 ho E 279 278 276 0.979 107.048 50.164 0.000000 281 H278 h1 E 278 276 275 1.094 108.755 45.371 0.000000 282 C279 c3 M 278 276 275 1.547 112.084 165.767 0.000000 283 C280 c3 3 282 278 276 1.546 111.144 -170.002 0.000000 284 O281 oh S 283 282 278 1.435 110.819 -170.387 0.000000 285 H282 ho E 284 283 282 0.983 107.940 -173.299 0.000000 286 H283 h1 E 283 282 278 1.091 109.933 68.472 0.000000 287 H284 h1 E 283 282 278 1.096 109.761 -50.723 0.000000 288 H285 h1 E 282 278 276 1.094 109.873 68.558 0.000000 289 O286 os M 282 278 276 1.449 109.180 -50.837 0.000000 290 C287 c3 M 289 282 278 1.444 115.192 61.591 0.000000 291 O288 oh S 290 289 282 1.425 110.586 175.410 0.000000 292 H289 ho E 291 290 289 0.976 106.542 34.797 0.000000 293 H290 h2 E 290 289 282 1.103 108.604 57.353 0.000000 294 C291 c3 M 290 289 282 1.549 109.159 -63.763 0.000000 295 H292 h1 E 294 290 289 1.092 107.475 -64.007 0.000000 296 N293 n M 294 290 289 1.478 110.538 177.135 0.000000 297 H294 hn E 296 294 290 1.007 117.145 -36.355 0.000000 298 C295 c M 296 294 290 1.347 124.959 142.218 0.000000 299 O300 o E 298 296 294 1.217 122.754 0.825 0.000000 300 C296 c3 M 298 296 294 1.510 114.682 -179.338 0.000000 301 H297 hc E 300 298 296 1.090 110.763 -179.929 0.000000 302 H298 hc E 300 298 296 1.090 110.207 -60.431 0.000000 303 H299 hc E 300 298 296 1.092 110.160 59.483 0.000000 LOOP C39 O38 C63 O62 C95 C85 C127 C123 C154 O153 C217 C157 O203 C170 C249 C239 C270 O269 C291 C273 IMPROPER C1 O6 C5 O7 C22 C20 N21 H28 C23 N21 C22 O27 C39 O41 C40 O42 C85 C87 N86 H93 C89 N86 C87 O88 C72 O71 C70 O69 C133 C131 N132 H139 C134 N132 C133 O138 C177 C175 N176 H183 C179 N176 C177 O178 C193 O192 C191 O190 C170 O210 C209 O211 C241 C239 N240 H247 C242 N240 C241 O246 C225 O229 C224 O223 C295 C291 N293 H294 C296 N293 C295 O300 DONE STOP