0 0 2 This is a remark line molecule.res tes 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 C6 ca M 3 2 1 1.540 111.208 180.000 0.39516 5 C7 ca S 4 3 2 1.398 174.476 -5.541 -0.24475 6 H6 ha E 5 4 3 1.085 119.588 73.244 0.14361 7 H5 h4 E 4 3 2 1.083 58.192 70.719 0.02225 8 N5 nb M 4 3 2 1.349 61.345 -115.461 -0.66517 9 C4 ca M 8 4 3 1.349 121.361 173.716 0.39507 10 H4 h4 E 9 8 4 1.083 119.358 179.894 0.02228 11 C3 ca M 9 8 4 1.398 120.386 -0.053 -0.24625 12 H3 ha E 11 9 8 1.086 119.873 -179.652 0.14376 13 C2 ca M 11 9 8 1.398 119.703 0.490 -0.04321 14 C1 c3 M 13 11 9 1.537 120.169 179.223 -0.04230 15 H1 hc E 14 13 11 1.102 109.631 162.651 0.05447 16 H2 hc E 14 13 11 1.102 108.919 44.140 0.05871 17 C8 c3 M 14 13 11 1.551 109.325 -76.369 -0.03504 18 H7 hc E 17 14 13 1.101 108.576 -59.932 0.05998 19 H8 hc E 17 14 13 1.101 108.464 57.519 0.05704 20 C9 ca M 17 14 13 1.541 116.317 178.761 -0.07406 21 C10 ca M 20 17 14 1.401 123.863 6.078 -0.12370 22 H9 ha E 21 20 17 1.083 121.413 -0.858 0.13747 23 C11 ca M 21 20 17 1.399 120.461 179.036 -0.12015 24 H10 ha E 23 21 20 1.086 119.970 -179.387 0.14694 25 C5 ca M 23 21 20 1.397 120.345 0.645 0.01267 26 Cl25 cl E 25 23 21 1.751 120.264 -179.926 -0.09490 27 C12 ca M 25 23 21 1.397 119.586 0.109 -0.11886 28 H12 ha E 27 25 23 1.085 119.933 179.538 0.14751 29 C13 ca M 27 25 23 1.397 119.919 -0.593 -0.12576 30 H13 ha E 29 27 25 1.086 119.133 -179.618 0.13724 LOOP C2 C7 C13 C9 IMPROPER C7 H5 C6 N5 C2 C6 C7 H6 C3 H4 C4 N5 C2 C4 C3 H3 C1 C3 C2 C7 C8 C10 C9 C13 C9 C11 C10 H9 C10 C5 C11 H10 C11 C12 C5 Cl25 C5 C13 C12 H12 C9 C12 C13 H13 DONE STOP