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 -0.649576 5 C12 c M 4 3 2 1.255 43.010 -18.308 0.592472 6 O5 o E 5 4 3 1.262 128.354 -14.562 -0.649576 7 C6 ce M 5 4 3 1.528 115.554 165.154 0.122582 8 N1 n M 7 5 4 1.434 120.285 0.836 -0.431509 9 C3 c B 8 7 5 1.398 131.000 75.530 0.631963 10 O3 o E 9 8 7 1.213 132.741 -45.851 -0.485573 11 C2 cy B 9 8 7 1.548 92.154 133.587 -0.364688 12 C5 c3 3 11 9 8 1.533 118.069 114.108 0.494937 13 O2 oh S 12 11 9 1.431 110.482 -172.528 -0.657571 14 H14 ho E 13 12 11 0.968 108.152 69.871 0.377387 15 C11 c3 3 12 11 9 1.524 111.366 68.540 -0.222162 16 H11 hc E 15 12 11 1.093 110.208 -177.934 0.053056 17 H12 hc E 15 12 11 1.093 110.532 -57.409 0.053056 18 H13 hc E 15 12 11 1.095 110.152 62.463 0.053056 19 H3 h1 E 12 11 9 1.101 108.678 -51.861 -0.071980 20 H2 hc E 11 9 8 1.094 111.403 -117.546 0.083264 21 C1 cy M 8 7 5 1.469 115.517 -164.119 0.493391 22 H1 h2 E 21 8 7 1.094 114.178 97.152 -0.068755 23 S1 ss M 21 8 7 1.856 104.593 -22.311 -0.331926 24 C4 c2 M 23 21 8 1.805 89.515 17.859 -0.125111 25 C7 c3 M 24 23 21 1.502 116.969 167.487 0.349741 26 H4 h1 E 25 24 23 1.093 107.791 146.568 -0.007722 27 O1 os M 25 24 23 1.446 109.184 27.108 -0.395780 28 C10 c3 M 27 25 24 1.441 110.044 -136.057 0.220702 29 H9 h1 E 28 27 25 1.095 108.455 -134.426 -0.016024 30 H10 h1 E 28 27 25 1.099 109.282 107.753 -0.016024 31 C9 c3 M 28 27 25 1.532 106.240 -12.267 -0.091723 32 H7 hc E 31 28 27 1.095 110.429 -85.887 0.011393 33 H8 hc E 31 28 27 1.093 112.521 153.070 0.011393 34 C8 c3 M 31 28 27 1.533 101.662 31.354 0.101840 35 H5 hc E 34 31 28 1.096 110.535 79.903 -0.032265 36 H6 hc E 34 31 28 1.091 114.532 -157.078 -0.032265 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