0 0 2 This is a remark line molecule.res HIN XYZ 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 N4 n M 3 2 1 1.540 111.208 180.000 -0.49852 5 H32 hn E 4 3 2 1.030 142.951 168.473 0.34392 6 C22 c3 M 4 3 2 1.453 94.303 12.760 0.09590 7 C30 ca S 6 4 3 1.551 118.404 79.697 0.01731 8 C25 ca B 7 6 4 1.555 111.094 142.526 0.02591 9 C24 c3 B 8 7 6 1.509 101.247 -0.970 -0.06583 10 H36 hc E 9 8 7 1.090 108.262 103.272 0.04427 11 H37 hc E 9 8 7 1.090 108.252 -139.556 0.04427 12 C26 ca B 8 7 6 1.375 121.405 -179.180 -0.18156 13 C27 ca B 12 8 7 1.399 118.241 -0.613 -0.17155 14 C28 ca B 13 12 8 1.403 120.871 -0.059 -0.15921 15 C29 ca S 14 13 12 1.388 122.162 0.615 -0.16621 16 H41 ha E 15 14 13 1.090 119.154 179.539 0.14868 17 H40 ha E 14 13 12 1.090 118.924 -179.413 0.14054 18 H39 ha E 13 12 8 1.090 119.589 179.941 0.15140 19 H38 ha E 12 8 7 1.090 120.857 179.377 0.14519 20 H33 h1 E 6 4 3 1.090 112.020 -41.524 0.10925 21 C23 c3 M 6 4 3 1.519 112.024 -161.525 0.17656 22 O4 oh S 21 6 4 1.420 110.250 -33.508 -0.64511 23 H35 ho E 22 21 6 1.030 109.526 176.742 0.41770 24 H34 h1 E 21 6 4 1.090 110.265 86.487 0.02709 LOOP C29 C30 C23 C24 IMPROPER C22 C29 C30 C25 C24 C26 C25 C30 C27 C25 C26 H37 C26 C28 C27 H38 C27 C29 C28 H39 C28 C30 C29 H40 DONE STOP