0 0 2 This is a remark line molecule.res OTV 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 O10 o M 3 2 1 1.540 111.208 180.000 -0.63279 5 C10 c M 4 3 2 1.272 69.273 94.824 0.66558 6 C11 c3 3 5 4 3 1.488 118.846 -178.005 -0.17565 7 HM21 hc E 6 5 4 1.000 109.016 60.118 0.06493 8 HM22 hc E 6 5 4 1.001 108.999 -59.884 0.04929 9 HM23 hc E 6 5 4 1.001 108.993 -179.903 0.05298 10 N5 n M 5 4 3 1.337 124.009 2.134 -0.54201 11 HM24 hn E 10 5 4 1.001 114.925 179.908 0.29582 12 C5 c3 M 10 5 4 1.504 118.875 -0.128 0.09115 13 HM25 h1 E 12 10 5 1.001 108.336 6.313 0.09734 14 C4 c3 M 12 10 5 1.525 108.250 -111.984 0.13844 15 N4 n3 B 14 12 10 1.454 110.925 64.699 -0.91775 16 HM7 hn E 15 14 12 1.000 108.984 -1.681 0.35605 17 HM8 hn E 15 14 12 1.000 109.041 118.348 0.34173 18 HM6 h1 E 14 12 10 0.999 108.518 -52.339 0.04900 19 C3 c3 M 14 12 10 1.576 108.737 -178.227 -0.07783 20 HM4 hc E 19 14 12 0.999 107.036 -79.268 0.05101 21 HM5 hc E 19 14 12 1.000 106.973 164.022 0.08190 22 C2 ce M 19 14 12 1.608 117.636 42.409 -0.13223 23 C1 c B 22 19 14 1.445 121.657 165.337 0.90383 24 O1A o E 23 22 19 1.266 118.261 -177.305 -0.82483 25 O1B o E 23 22 19 1.275 121.078 0.875 -0.83642 26 C7 c2 M 22 19 14 1.414 118.402 -13.844 -0.23430 27 HM3 ha E 26 22 19 1.000 116.467 -179.321 0.15373 28 C6 c3 M 26 22 19 1.505 120.720 0.720 0.18106 29 HM20 h1 E 28 26 22 1.000 97.680 98.928 0.02597 30 O7 os M 28 26 22 1.505 113.647 -145.600 -0.41358 31 C8 c3 M 30 28 26 1.494 125.176 -116.128 0.14923 32 C81 c3 3 31 30 28 1.524 105.182 -179.003 -0.07722 33 C82 c3 3 32 31 30 1.494 112.968 85.050 -0.09215 34 HM9 hc E 33 32 31 1.001 108.944 -120.047 0.05655 35 HM10 hc E 33 32 31 0.999 108.978 120.018 0.02142 36 HM11 hc E 33 32 31 0.999 108.988 -0.057 0.01563 37 HM12 hc E 32 31 30 1.000 109.153 -154.487 0.03193 38 HM13 hc E 32 31 30 1.000 109.192 -35.442 0.06291 39 HM14 h1 E 31 30 28 0.999 107.091 -57.029 0.01632 40 C9 c3 M 31 30 28 1.539 115.725 58.735 -0.10664 41 HM18 hc E 40 31 30 1.001 108.288 170.941 0.02372 42 HM19 hc E 40 31 30 1.000 108.322 -70.971 0.05944 43 C91 c3 M 40 31 30 1.531 114.970 50.011 -0.09195 44 HM15 hc E 43 40 31 1.000 109.025 -120.076 0.03231 45 HM16 hc E 43 40 31 1.001 109.000 119.971 0.01424 46 HM17 hc E 43 40 31 1.000 109.023 -0.023 0.07180 LOOP C6 C5 IMPROPER C11 N5 C10 O10 C1 C7 C2 C3 C2 O1A C1 O1B C6 C2 C7 HM3 DONE STOP