@MOLECULE cholestane-3,7,12,24,26-pentol 32 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.3279 -1.8342 -1.4491 O.2 1 UNL1 -0.3722 2 O 3.4881 3.7304 -0.1095 O.2 1 UNL1 -0.3559 3 O 8.0615 -1.6904 0.4342 O.2 1 UNL1 -0.3432 4 O -7.6528 -1.1054 -1.4321 O.3 1 UNL1 -0.1840 5 O -9.6587 0.7707 1.7192 O.3 2 UNL2 -0.2525 6 C -0.5370 -1.8128 -0.0755 C.3 1 UNL1 -0.3703 7 C 1.3471 1.9310 -0.6397 C.1 1 UNL1 -0.0477 8 C 2.5759 1.5442 -0.0834 C.2 1 UNL1 -0.0663 9 C 2.5672 0.3140 0.4449 C.2 1 UNL1 0.0421 10 C 3.2152 -0.7929 1.1597 C.3 1 UNL1 -0.1807 11 C -1.9812 0.6902 -1.0882 C.1 1 UNL1 0.0007 12 C 0.8348 -1.5162 -0.3927 C.2 1 UNL1 0.5216 13 C 1.6658 -0.8453 0.6273 C.3 1 UNL1 -0.3331 14 C 6.0129 1.2547 -0.2854 C.1 1 UNL1 -0.0063 15 C 0.1838 1.9698 -1.0062 C.1 1 UNL1 0.0083 16 C 3.6973 2.5410 -0.1440 C.2 1 UNL1 0.4764 17 C -1.0717 1.4992 -1.1768 C.1 1 UNL1 -0.0533 18 C 4.9679 1.9504 -0.2736 C.1 1 UNL1 -0.0618 19 C 4.5019 -1.2554 0.9472 C.1 1 UNL1 0.0167 20 C -1.5193 -2.7249 0.4302 C.3 1 UNL1 0.2623 21 C -2.6893 -0.4790 -0.7824 C.2 1 UNL1 -0.2038 22 C 6.7592 0.2123 -0.2246 C.3 1 UNL1 -0.0338 23 C 2.0450 -1.2352 2.0032 C.3 1 UNL1 0.4243 24 C 5.6855 -1.4082 0.7042 C.1 1 UNL1 -0.1464 25 C 7.0441 -1.0648 0.3116 C.2 1 UNL1 0.4912 26 C -4.0074 -0.6369 -0.9355 C.3 1 UNL1 0.5032 27 C -1.8497 -1.4887 -0.2522 C.2 1 UNL1 -0.0478 28 C -5.2450 -0.7947 -1.1015 C.1 1 UNL1 -0.5768 29 C -6.5201 -0.9584 -1.2779 C.1 1 UNL1 0.6371 30 C -7.2554 1.0796 1.3928 C.1 2 UNL2 -0.8925 31 C -8.5230 0.9199 1.5680 C.1 2 UNL2 0.6659 32 C -5.9981 1.2789 1.2659 C.3 2 UNL2 0.4785 @BOND 1 1 12 2 2 4 29 1 3 29 28 3 4 17 11 3 5 17 15 1 6 28 26 1 7 11 21 1 8 15 7 3 9 26 21 1 10 21 27 2 11 7 8 1 12 12 6 1 13 12 13 1 14 14 18 3 15 14 22 1 16 18 16 1 17 27 6 1 18 27 20 1 19 22 25 1 20 16 2 2 21 16 8 1 22 8 9 2 23 6 20 1 24 25 3 2 25 25 24 1 26 9 13 1 27 9 10 1 28 13 10 1 29 13 23 1 30 24 19 3 31 19 10 1 32 10 23 1 33 32 30 1 34 30 31 3 35 31 5 1