0 0 2 This is a remark line molecule.res RU 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 O1P o M 3 2 1 1.540 111.208 180.000 -0.79271 5 P p3 M 4 3 2 1.480 104.921 -24.988 1.76902 6 O2P o E 5 4 3 1.481 117.228 121.704 -0.74919 7 O5* os M 5 4 3 1.600 105.493 -112.501 -0.54941 8 C5* c3 M 7 5 4 1.440 119.000 75.027 0.15706 9 H5*1 h1 E 8 7 5 1.090 109.467 60.055 0.05915 10 H5*2 h1 E 8 7 5 1.090 109.498 -59.942 0.05889 11 C4* c3 M 8 7 5 1.527 111.719 -179.157 0.10012 12 H4* h1 E 11 8 7 1.090 108.998 126.351 0.08658 13 C3* c3 3 11 8 7 1.530 112.410 5.604 -0.01245 14 H3* h1 E 13 11 8 1.090 111.257 91.274 0.09126 15 C2* c3 B 13 11 8 1.514 102.048 -148.555 0.32581 16 H2*1 h1 E 15 13 11 1.090 112.054 158.104 -0.03367 17 O2* o E 15 13 11 1.410 111.891 -75.269 -0.69268 18 O31 os E 13 11 8 1.503 110.993 -32.020 -0.34046 19 O4* os M 11 8 7 1.414 111.717 -114.506 -0.40975 20 C1* c3 M 19 11 8 1.408 106.584 120.486 0.16503 21 H1* h2 E 20 19 11 1.089 112.325 154.417 0.11766 22 N1 n M 20 19 11 1.469 106.113 -83.528 -0.31710 23 C6 cc M 22 20 19 1.369 120.904 80.919 0.34099 24 C5 cd M 23 22 20 1.352 120.579 175.065 -0.42449 25 H5 ha E 24 23 22 1.080 119.238 -179.473 0.16905 26 C4 c M 24 23 22 1.444 121.530 0.506 0.73762 27 O4 o E 26 24 23 1.229 125.358 179.979 -0.67236 28 N3 n M 26 24 23 1.386 114.048 0.256 -0.53307 29 H3 hn E 28 26 24 1.010 117.187 -179.802 0.33408 30 C2 c2 M 28 26 24 1.385 125.703 -0.480 0.68259 31 O2 o M 30 28 26 1.230 121.819 -178.896 -0.66760 LOOP C1* C2* C6 O31 C2 N1 IMPROPER C2 C1* N1 C6 C5 N1 C6 O31 C4 C6 C5 H5 C5 N3 C4 O4 C2 C4 N3 H3 N1 N3 C2 O2 DONE STOP