@MOLECULE (3s,5z,7e)-9,10-secocholesta-5,7,10-trien-3-yl hydrogen sulfate 73 75 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.6555 1.0033 -0.6158 S.3 1 UNL111111 2.5769 2 O -5.7618 -0.5447 -0.5475 O.3 1 UNL111111 -0.7813 3 O -6.9771 1.0942 -2.0293 O.2 1 UNL111111 -0.9288 4 O -7.7441 0.7038 0.3195 O.3 1 UNL111111 -0.9980 5 O -5.6237 1.8949 -0.0794 O.2 1 UNL111111 -1.0073 6 C 2.1504 1.1421 0.2612 C.3 1 UNL111111 0.0918 7 C 3.4003 0.6508 -0.5292 C.3 1 UNL111111 -0.1491 8 C 0.9954 0.5002 -0.5840 C.3 1 UNL111111 -0.1879 9 C 3.0210 -0.7908 -0.9702 C.3 1 UNL111111 -0.2822 10 C 1.4856 -0.9247 -0.8650 C.3 1 UNL111111 -0.2759 11 C 1.9637 2.6685 0.2832 C.3 1 UNL111111 -0.3111 12 C 4.7413 0.6836 0.2313 C.3 1 UNL111111 -0.0927 13 C -0.3123 0.7222 0.0724 C.2 1 UNL111111 0.1817 14 C 2.1475 0.5901 1.6915 C.3 1 UNL111111 -0.4679 15 C 0.5121 3.0976 0.0076 C.3 1 UNL111111 -0.2507 16 C -0.5318 2.1124 0.5516 C.3 1 UNL111111 -0.3210 17 C 5.8785 0.1649 -0.6775 C.3 1 UNL111111 -0.2892 18 C 5.0808 2.1066 0.6931 C.3 1 UNL111111 -0.4530 19 C -1.2649 -0.2746 0.2157 C.2 1 UNL111111 -0.2135 20 C 7.1017 -0.2590 0.1470 C.3 1 UNL111111 -0.2690 21 C 8.2217 -0.7632 -0.7720 C.3 1 UNL111111 -0.2894 22 C -2.5058 -0.0931 0.8209 C.2 1 UNL111111 -0.1804 23 C 9.4575 -1.2143 0.0312 C.3 1 UNL111111 -0.0606 24 C -3.4458 -1.1385 0.9774 C.2 1 UNL111111 0.4238 25 C -4.7399 -0.8871 1.6007 C.3 1 UNL111111 -0.4564 26 C 10.2083 -0.0100 0.6114 C.3 1 UNL111111 -0.4532 27 C 10.3958 -2.0218 -0.8756 C.3 1 UNL111111 -0.4568 28 C -3.1927 -2.4638 0.4863 C.2 1 UNL111111 -0.6174 29 C -5.8917 -1.3099 0.5622 C.3 1 UNL111111 0.3001 30 C -4.2854 -2.9375 -0.4796 C.3 1 UNL111111 -0.1593 31 C -5.6640 -2.7793 0.1533 C.3 1 UNL111111 -0.3359 32 C -2.2258 -3.3391 0.6747 C.2 1 UNL111111 0.4441 33 H 3.5071 1.2866 -1.4390 H 1 UNL111111 0.1407 34 H 0.9557 1.0430 -1.5756 H 1 UNL111111 0.1841 35 H 3.5182 -1.5411 -0.3339 H 1 UNL111111 0.1437 36 H 3.3646 -0.9817 -1.9994 H 1 UNL111111 0.1412 37 H 1.0509 -1.3357 -1.7898 H 1 UNL111111 0.1445 38 H 1.2131 -1.6193 -0.0533 H 1 UNL111111 0.1401 39 H 2.2890 3.0753 1.2598 H 1 UNL111111 0.1481 40 H 2.6290 3.1470 -0.4612 H 1 UNL111111 0.1485 41 H 4.6674 0.0200 1.1220 H 1 UNL111111 0.1365 42 H 2.9565 1.0267 2.2900 H 1 UNL111111 0.1537 43 H 1.2107 0.8065 2.2136 H 1 UNL111111 0.1444 44 H 2.2911 -0.4963 1.7044 H 1 UNL111111 0.1516 45 H 0.3610 3.2266 -1.0834 H 1 UNL111111 0.1470 46 H 0.3359 4.0998 0.4468 H 1 UNL111111 0.1497 47 H -0.5268 2.1363 1.6661 H 1 UNL111111 0.1774 48 H -1.5537 2.4715 0.2701 H 1 UNL111111 0.1953 49 H 5.5339 -0.6950 -1.2821 H 1 UNL111111 0.1372 50 H 6.1622 0.9458 -1.4068 H 1 UNL111111 0.1421 51 H 4.3824 2.4645 1.4545 H 1 UNL111111 0.1409 52 H 6.0849 2.1482 1.1335 H 1 UNL111111 0.1504 53 H 5.0620 2.8166 -0.1403 H 1 UNL111111 0.1453 54 H -1.0274 -1.2679 -0.1881 H 1 UNL111111 0.1680 55 H 6.8190 -1.0479 0.8680 H 1 UNL111111 0.1339 56 H 7.4658 0.5910 0.7537 H 1 UNL111111 0.1393 57 H 8.5081 0.0255 -1.4909 H 1 UNL111111 0.1397 58 H 7.8486 -1.6066 -1.3828 H 1 UNL111111 0.1364 59 H -2.8192 0.9127 1.1470 H 1 UNL111111 0.2056 60 H 9.1221 -1.8693 0.8714 H 1 UNL111111 0.1281 61 H -4.9176 0.1789 1.8669 H 1 UNL111111 0.2136 62 H -4.9028 -1.4870 2.5159 H 1 UNL111111 0.1812 63 H 10.5507 0.6678 -0.1791 H 1 UNL111111 0.1454 64 H 11.0906 -0.3284 1.1774 H 1 UNL111111 0.1434 65 H 9.5741 0.5696 1.2904 H 1 UNL111111 0.1404 66 H 10.7332 -1.4282 -1.7319 H 1 UNL111111 0.1457 67 H 11.2877 -2.3498 -0.3306 H 1 UNL111111 0.1447 68 H 9.9025 -2.9180 -1.2667 H 1 UNL111111 0.1408 69 H -6.8783 -1.1746 1.0760 H 1 UNL111111 0.1659 70 H -4.2273 -2.2838 -1.3883 H 1 UNL111111 0.1920 71 H -4.1171 -3.9749 -0.8169 H 1 UNL111111 0.1268 72 H -6.4480 -3.0366 -0.5930 H 1 UNL111111 0.1792 73 H -5.8029 -3.4569 1.0111 H 1 UNL111111 0.1367 @BOND 1 3 1 2 2 70 30 1 3 37 10 1 4 36 9 1 5 71 30 1 6 72 31 1 7 34 8 1 8 30 31 1 9 30 28 1 10 1 2 1 11 1 5 2 12 1 4 1 13 2 29 1 14 33 7 1 15 10 9 1 16 10 8 1 17 10 38 1 18 45 15 1 19 49 17 1 20 31 29 1 21 31 73 1 22 9 7 1 23 9 35 1 24 66 27 1 25 58 21 1 26 50 17 1 27 57 21 1 28 54 19 1 29 68 27 1 30 8 13 1 31 8 6 1 32 7 6 1 33 7 12 1 34 29 69 1 35 29 25 1 36 28 32 2 37 28 24 1 38 17 12 1 39 17 20 1 40 19 13 2 41 19 22 1 42 21 20 1 43 21 23 1 44 27 67 1 45 27 23 1 46 40 11 1 47 13 16 1 48 15 16 1 49 15 11 1 50 15 46 1 51 48 16 1 52 24 22 2 53 24 25 1 54 22 59 1 55 6 11 1 56 6 14 1 57 53 18 1 58 16 47 1 59 11 39 1 60 12 18 1 61 12 41 1 62 20 55 1 63 20 56 1 64 23 60 1 65 23 26 1 66 63 26 1 67 25 61 1 68 25 62 1 69 18 52 1 70 18 51 1 71 26 64 1 72 26 65 1 73 44 14 1 74 14 43 1 75 14 42 1