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 -0.725997 5 C12 c M 4 3 2 1.255 43.010 -18.308 0.666084 6 O5 o E 5 4 3 1.262 128.354 -14.562 -0.725997 7 C6 ce M 5 4 3 1.528 115.554 165.154 0.297403 8 N1 n M 7 5 4 1.434 120.285 0.836 -0.589405 9 C3 c B 8 7 5 1.398 131.000 75.530 0.744246 10 O3 o E 9 8 7 1.213 132.741 -45.851 -0.543854 11 C2 cy B 9 8 7 1.548 92.154 133.587 -0.434447 12 C5 c3 3 11 9 8 1.533 118.069 114.108 0.594991 13 O2 oh S 12 11 9 1.431 110.482 -172.528 -0.726856 14 H14 ho E 13 12 11 0.968 108.152 69.871 0.405170 15 C11 c3 3 12 11 9 1.524 111.366 68.540 -0.383307 16 H11 hc E 15 12 11 1.093 110.208 -177.934 0.094863 17 H12 hc E 15 12 11 1.093 110.532 -57.409 0.094863 18 H13 hc E 15 12 11 1.095 110.152 62.463 0.094863 19 H3 h1 E 12 11 9 1.101 108.678 -51.861 -0.058538 20 H2 hc E 11 9 8 1.094 111.403 -117.546 0.126922 21 C1 cy M 8 7 5 1.469 115.517 -164.119 0.521034 22 H1 h2 E 21 8 7 1.094 114.178 97.152 -0.042523 23 S1 ss M 21 8 7 1.856 104.593 -22.311 -0.310665 24 C4 c2 M 23 21 8 1.805 89.515 17.859 -0.256570 25 C7 c3 M 24 23 21 1.502 116.969 167.487 0.366071 26 H4 h1 E 25 24 23 1.093 107.791 146.568 0.041019 27 O1 os M 25 24 23 1.446 109.184 27.108 -0.421422 28 C10 c3 M 27 25 24 1.441 110.044 -136.057 0.120816 29 H9 h1 E 28 27 25 1.095 108.455 -134.426 0.031425 30 H10 h1 E 28 27 25 1.099 109.282 107.753 0.031425 31 C9 c3 M 28 27 25 1.532 106.240 -12.267 -0.088554 32 H7 hc E 31 28 27 1.095 110.429 -85.887 0.023685 33 H8 hc E 31 28 27 1.093 112.521 153.070 0.023685 34 C8 c3 M 31 28 27 1.533 101.662 31.354 0.017035 35 H5 hc E 34 31 28 1.096 110.535 79.903 0.006268 36 H6 hc E 34 31 28 1.091 114.532 -157.078 0.006268 LOOP C4 C6 C1 C2 C8 C7 IMPROPER C6 O4 C12 O5 C4 C12 C6 N1 C3 C6 N1 C1 C2 N1 C3 O3 C7 C6 C4 S1 DONE STOP