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 1.523 111.21 .0 .00000 4 C1 cy M 3 2 1 1.540 111.208 -180.000 0.316655 5 H2 h2 E 4 3 2 1.092 101.194 72.563 -0.023777 6 S1 ss M 4 3 2 1.838 100.946 -172.965 -0.426195 7 C2 c3 M 6 4 3 1.892 89.754 163.317 0.361378 8 C6 c3 3 7 6 4 1.538 108.693 85.290 -0.219173 9 H5 hc E 8 7 6 1.093 111.937 -62.243 0.036235 10 H6 hc E 8 7 6 1.093 110.344 58.796 0.036235 11 H7 hc E 8 7 6 1.094 109.337 178.090 0.036235 12 C7 c3 3 7 6 4 1.531 109.323 -154.218 -0.219173 13 H8 hc E 12 7 6 1.095 111.493 -66.737 0.036235 14 H9 hc E 12 7 6 1.095 111.431 54.826 0.036235 15 H10 hc E 12 7 6 1.094 107.858 173.697 0.036235 16 C3 c3 M 7 6 4 1.574 105.040 -35.182 0.332561 17 C8 c B 16 7 6 1.569 111.781 152.071 0.630805 18 O2 o E 17 16 7 1.261 113.569 71.016 -0.719053 19 O3 o E 17 16 7 1.252 117.681 -108.073 -0.719053 20 H3 h1 E 16 7 6 1.096 108.547 -89.847 -0.044713 21 N1 n M 16 7 6 1.465 106.672 25.053 -0.524545 22 C5 c M 21 16 7 1.382 125.876 -117.792 0.567606 23 O1 o E 22 21 16 1.216 131.641 -35.378 -0.524542 24 C4 cy M 22 21 16 1.555 92.274 140.930 0.021256 25 H4 h1 E 24 22 21 1.094 112.889 100.371 0.046482 26 N2 n M 24 22 21 1.426 118.470 -131.653 -0.376535 27 H1 hn E 26 24 22 1.032 122.764 36.873 0.246715 28 C9 c M 26 24 22 1.363 122.030 -126.714 0.541169 29 O4 o E 28 26 24 1.234 123.280 -3.710 -0.584601 30 C10 c3 M 28 26 24 1.544 113.634 179.110 -0.101639 31 C12 c B 30 28 26 1.594 113.285 -43.791 0.694729 32 O5 o E 31 30 28 1.268 114.869 53.330 -0.679596 33 O6 o E 31 30 28 1.246 117.600 -129.065 -0.679596 34 H11 hc E 30 28 26 1.098 104.467 67.933 -0.033230 35 C11 ca M 30 28 26 1.508 112.084 -174.858 0.124199 36 C13 ca M 35 30 28 1.399 120.572 -116.658 -0.127435 37 H12 ha E 36 35 30 1.087 119.319 0.660 0.090316 38 C15 ca M 36 35 30 1.400 121.189 -179.292 -0.087583 39 H14 ha E 38 36 35 1.086 119.752 179.973 0.054146 40 C17 ca M 38 36 35 1.394 119.993 -0.217 -0.142020 41 H16 ha E 40 38 36 1.087 120.302 -179.888 0.057587 42 C16 ca M 40 38 36 1.399 119.431 0.164 -0.087583 43 H15 ha E 42 40 38 1.087 119.983 179.887 0.054146 44 C14 ca M 42 40 38 1.394 120.297 0.055 -0.127435 45 H13 ha E 44 42 40 1.085 119.854 179.512 0.090316 LOOP N1 C1 C4 C1 C14 C11 IMPROPER C3 O2 C8 O3 C5 C3 N1 C1 C4 N1 C5 O1 C9 C4 N2 H1 C10 N2 C9 O4 C10 O5 C12 O6 C10 C13 C11 C14 C11 C15 C13 H12 C13 C17 C15 H14 C15 C16 C17 H16 C17 C14 C16 H15 C11 C16 C14 H13 DONE STOP