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 O1 o M 3 2 1 1.540 111.208 -180.000 -0.566275 5 C5 c M 4 3 2 1.217 95.517 131.586 0.554748 6 C4 cy B 5 4 3 1.559 136.214 7.205 0.134229 7 N2 n3 B 6 5 4 1.445 120.619 46.022 -0.875542 8 H1 hn E 7 6 5 1.016 109.770 -81.586 0.340864 9 H2 hn E 7 6 5 1.018 110.227 35.774 0.340864 10 H5 h1 E 6 5 4 1.095 112.198 -84.706 0.077840 11 N1 n M 5 4 3 1.383 131.234 179.922 -0.581015 12 C1 cy M 11 5 4 1.471 93.475 -164.958 0.235789 13 H3 h2 E 12 11 5 1.091 115.404 -129.751 0.043242 14 S1 ss M 12 11 5 1.840 104.101 108.452 -0.388611 15 C2 c3 M 14 12 11 1.894 89.710 34.228 0.310352 16 C6 c3 3 15 14 12 1.538 108.579 84.941 -0.465163 17 H6 hc E 16 15 14 1.093 111.983 -62.171 0.123161 18 H7 hc E 16 15 14 1.093 110.437 58.891 0.123161 19 H8 hc E 16 15 14 1.094 109.201 178.202 0.123161 20 C7 c3 3 15 14 12 1.530 109.261 -154.555 -0.465163 21 H9 hc E 20 15 14 1.093 107.804 173.780 0.123161 22 H10 hc E 20 15 14 1.094 111.502 -66.645 0.123161 23 H11 hc E 20 15 14 1.094 111.418 54.882 0.123161 24 C3 c3 M 15 14 12 1.572 105.056 -35.341 0.450509 25 H4 h1 E 24 15 14 1.096 108.443 -88.832 -0.034010 26 C8 c M 24 15 14 1.569 112.056 153.174 0.717905 27 O3 o E 26 24 15 1.252 117.748 -110.744 -0.784765 28 O2 o M 26 24 15 1.262 113.552 68.662 -0.784765 LOOP C1 C4 C3 N1 IMPROPER C4 N1 C5 O1 C3 C5 N1 C1 C3 O3 C8 O2 DONE STOP