@MOLECULE 19-hydroxycholesterol 75 78 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4647 -2.2291 0.6508 O.3 1 UNL1111111111 -0.5562 2 O 7.3665 1.5263 -0.6471 O.3 1 UNL1111111111 -0.5733 3 C -0.8883 -0.9206 -0.0787 C.3 1 UNL1111111111 0.0765 4 C -0.2174 0.0080 0.9789 C.3 1 UNL1111111111 -0.1446 5 C 1.2993 -0.1742 1.0093 C.3 1 UNL1111111111 -0.1259 6 C 1.8635 0.2048 -0.3808 C.3 1 UNL1111111111 -0.1180 7 C -2.3927 -0.6419 0.2223 C.3 1 UNL1111111111 -0.1412 8 C -0.3876 -0.4394 -1.4474 C.3 1 UNL1111111111 -0.2961 9 C 3.4076 -0.0059 -0.4307 C.3 1 UNL1111111111 -0.0151 10 C -0.9983 -0.2828 2.2672 C.3 1 UNL1111111111 -0.2802 11 C 1.1455 -0.5514 -1.5162 C.3 1 UNL1111111111 -0.2823 12 C -2.4390 -0.5565 1.7770 C.3 1 UNL1111111111 -0.2759 13 C 1.9168 0.7414 2.0792 C.3 1 UNL1111111111 -0.2916 14 C -3.4065 -1.6636 -0.3196 C.3 1 UNL1111111111 -0.0915 15 C -0.5588 -2.4022 0.1241 C.3 1 UNL1111111111 -0.4621 16 C 4.0583 0.5835 0.7966 C.2 1 UNL1111111111 -0.0294 17 C 3.9245 0.7043 -1.7095 C.3 1 UNL1111111111 -0.2847 18 C 3.3880 0.8942 1.9131 C.2 1 UNL1111111111 -0.1918 19 C 3.8124 -1.4986 -0.5038 C.3 1 UNL1111111111 -0.0097 20 C 5.5461 0.7618 0.7486 C.3 1 UNL1111111111 -0.3550 21 C 5.4462 0.8255 -1.7727 C.3 1 UNL1111111111 -0.3026 22 C -4.8399 -1.3445 0.1624 C.3 1 UNL1111111111 -0.2901 23 C 5.9536 1.5348 -0.5147 C.3 1 UNL1111111111 0.1778 24 C -3.3776 -1.7270 -1.8521 C.3 1 UNL1111111111 -0.4517 25 C -5.3320 0.0437 -0.2645 C.3 1 UNL1111111111 -0.2616 26 C -6.7654 0.2819 0.2257 C.3 1 UNL1111111111 -0.2889 27 C -7.2999 1.6896 -0.1047 C.3 1 UNL1111111111 -0.0602 28 C -6.4796 2.7792 0.5963 C.3 1 UNL1111111111 -0.4523 29 C -7.3304 1.9376 -1.6174 C.3 1 UNL1111111111 -0.4536 30 H -0.4275 1.0686 0.6881 H 1 UNL1111111111 0.1346 31 H 1.5499 -1.2356 1.2388 H 1 UNL1111111111 0.1646 32 H 1.6729 1.2980 -0.5258 H 1 UNL1111111111 0.1365 33 H -2.6453 0.3567 -0.2018 H 1 UNL1111111111 0.1327 34 H -0.7034 0.6034 -1.6281 H 1 UNL1111111111 0.1352 35 H -0.8362 -1.0357 -2.2618 H 1 UNL1111111111 0.1390 36 H -0.5853 -1.1557 2.7972 H 1 UNL1111111111 0.1385 37 H -0.9589 0.5594 2.9720 H 1 UNL1111111111 0.1301 38 H 1.4900 -0.1681 -2.4944 H 1 UNL1111111111 0.1298 39 H 1.4234 -1.6239 -1.4886 H 1 UNL1111111111 0.1501 40 H -2.8189 -1.4936 2.2119 H 1 UNL1111111111 0.1349 41 H -3.1275 0.2386 2.0958 H 1 UNL1111111111 0.1315 42 H 1.6775 0.3430 3.0869 H 1 UNL1111111111 0.1480 43 H 1.4424 1.7466 2.0413 H 1 UNL1111111111 0.1528 44 H -3.1426 -2.6753 0.0776 H 1 UNL1111111111 0.1349 45 H -0.9628 -2.7768 1.0706 H 1 UNL1111111111 0.1470 46 H 0.5244 -2.5816 0.1494 H 1 UNL1111111111 0.1597 47 H -0.9687 -3.0154 -0.6841 H 1 UNL1111111111 0.1415 48 H 3.4762 1.7166 -1.7649 H 1 UNL1111111111 0.1463 49 H 3.5608 0.1657 -2.6053 H 1 UNL1111111111 0.1440 50 H 3.8961 1.3085 2.7834 H 1 UNL1111111111 0.1446 51 H 3.2846 -2.0400 -1.3095 H 1 UNL1111111111 0.1404 52 H 4.9037 -1.6091 -0.6505 H 1 UNL1111111111 0.1224 53 H 5.9248 1.2813 1.6492 H 1 UNL1111111111 0.1447 54 H 6.0495 -0.2294 0.7520 H 1 UNL1111111111 0.1686 55 H 5.9330 -0.1637 -1.8696 H 1 UNL1111111111 0.1571 56 H 5.7584 1.3879 -2.6742 H 1 UNL1111111111 0.1529 57 H -4.8881 -1.4323 1.2638 H 1 UNL1111111111 0.1345 58 H -5.5290 -2.1180 -0.2267 H 1 UNL1111111111 0.1344 59 H 5.6163 2.5927 -0.4705 H 1 UNL1111111111 0.1149 60 H -3.4252 -0.7285 -2.2985 H 1 UNL1111111111 0.1431 61 H -4.2247 -2.3023 -2.2408 H 1 UNL1111111111 0.1421 62 H -2.4631 -2.2108 -2.2125 H 1 UNL1111111111 0.1428 63 H -5.2863 0.1401 -1.3647 H 1 UNL1111111111 0.1386 64 H -4.6614 0.8250 0.1393 H 1 UNL1111111111 0.1389 65 H 3.6735 -1.7178 1.4621 H 1 UNL1111111111 0.3213 66 H 7.7946 1.9278 0.1292 H 1 UNL1111111111 0.3139 67 H -6.8144 0.1246 1.3200 H 1 UNL1111111111 0.1344 68 H -7.4387 -0.4752 -0.2184 H 1 UNL1111111111 0.1331 69 H -8.3506 1.7454 0.2780 H 1 UNL1111111111 0.1235 70 H -5.4585 2.8316 0.2033 H 1 UNL1111111111 0.1459 71 H -6.9340 3.7656 0.4572 H 1 UNL1111111111 0.1392 72 H -6.4099 2.5933 1.6732 H 1 UNL1111111111 0.1416 73 H -6.3204 1.9832 -2.0389 H 1 UNL1111111111 0.1454 74 H -7.8257 2.8854 -1.8522 H 1 UNL1111111111 0.1399 75 H -7.8703 1.1413 -2.1401 H 1 UNL1111111111 0.1415 @BOND 1 1 19 1 2 1 65 1 3 2 23 1 4 2 66 1 5 3 4 1 6 3 7 1 7 3 8 1 8 3 15 1 9 4 5 1 10 4 10 1 11 4 30 1 12 5 6 1 13 5 13 1 14 5 31 1 15 6 9 1 16 6 11 1 17 6 32 1 18 7 12 1 19 7 14 1 20 7 33 1 21 8 11 1 22 8 34 1 23 8 35 1 24 9 16 1 25 9 17 1 26 9 19 1 27 10 12 1 28 10 36 1 29 10 37 1 30 11 38 1 31 11 39 1 32 12 40 1 33 12 41 1 34 13 18 1 35 13 42 1 36 13 43 1 37 14 22 1 38 14 24 1 39 14 44 1 40 15 45 1 41 15 46 1 42 15 47 1 43 16 18 2 44 16 20 1 45 17 21 1 46 17 48 1 47 17 49 1 48 18 50 1 49 19 51 1 50 19 52 1 51 20 23 1 52 20 53 1 53 20 54 1 54 21 23 1 55 21 55 1 56 21 56 1 57 22 25 1 58 22 57 1 59 22 58 1 60 23 59 1 61 24 60 1 62 24 61 1 63 24 62 1 64 25 26 1 65 25 63 1 66 25 64 1 67 26 27 1 68 26 67 1 69 26 68 1 70 27 28 1 71 27 29 1 72 27 69 1 73 28 70 1 74 28 71 1 75 28 72 1 76 29 73 1 77 29 74 1 78 29 75 1