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 O4 o M 3 2 1 1.540 111.208 -180.000 -0.663672 5 C8 c M 4 3 2 1.261 42.128 -32.149 0.627161 6 O5 o E 5 4 3 1.246 129.589 -51.640 -0.663672 7 C3 c3 M 5 4 3 1.573 112.997 127.237 0.095479 8 H2 h1 E 7 5 4 1.097 106.307 -61.136 0.081919 9 N1 n M 7 5 4 1.475 115.776 -179.234 -0.346272 10 C5 c B 9 7 5 1.393 126.833 111.282 0.555898 11 O3 o E 10 9 7 1.210 130.974 -37.741 -0.487098 12 C4 cy B 10 9 7 1.542 92.238 139.182 -0.425615 13 H3 hc E 12 10 9 1.092 113.385 -121.217 0.149096 14 H4 hc E 12 10 9 1.091 116.347 108.869 0.149096 15 C2 cy M 9 7 5 1.460 120.695 -127.167 0.219208 16 H1 h2 E 15 9 7 1.091 117.569 92.910 0.039965 17 S1 s6 M 15 9 7 1.844 101.236 -25.291 0.551053 18 O1 o E 17 15 9 1.477 111.684 150.220 -0.441706 19 O2 o E 17 15 9 1.483 108.300 -76.019 -0.441706 20 C1 c3 M 17 15 9 1.890 92.033 34.282 0.268532 21 C7 c3 3 20 17 15 1.532 107.570 83.877 -0.629243 22 H7 hc E 21 20 17 1.091 111.329 58.512 0.183632 23 H8 hc E 21 20 17 1.093 108.166 178.810 0.183632 24 H9 hc E 21 20 17 1.092 111.559 -62.848 0.183632 25 C6 c3 M 20 17 15 1.540 111.163 -151.582 -0.709855 26 H5 h1 E 25 20 17 1.092 105.424 163.154 0.194126 27 H6 h1 E 25 20 17 1.091 110.286 45.179 0.194126 28 N2 na M 25 20 17 1.458 115.466 -77.222 0.769327 29 N3 nc M 28 25 20 1.351 120.655 82.892 -0.251976 30 N4 nd M 29 28 25 1.310 107.599 -179.892 -0.345538 31 C10 cd M 30 29 28 1.363 108.898 -0.168 0.143732 32 H11 h4 E 31 30 29 1.079 122.138 -179.525 0.080168 33 C9 cc M 31 30 29 1.377 108.568 0.024 -0.491468 34 H10 h4 E 33 31 30 1.078 133.007 -179.383 0.228038 LOOP C1 C3 C2 C4 C9 N2 IMPROPER C3 O4 C8 O5 C3 C5 N1 C2 C4 N1 C5 O3 C6 C9 N2 N3 C9 H11 C10 N4 C10 H10 C9 N2 DONE STOP