@MOLECULE (3beta,5alpha,6alpha,25alpha)-cevane-3,6,20-triol 76 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0630 2.0986 -0.9188 O.3 1 UNL1111111111 -0.5723 2 O 2.7087 0.9741 -1.8564 O.3 1 UNL1111111111 -0.5708 3 O -6.2791 -2.7339 -1.1510 O.3 1 UNL1111111111 -0.5727 4 N 3.2944 -0.8948 0.2598 N.3 1 UNL1111111111 -0.4457 5 C -2.0583 0.2221 1.1743 C.3 1 UNL1111111111 -0.1471 6 C 0.2616 0.8719 1.7476 C.3 1 UNL1111111111 -0.1186 7 C -1.6347 1.4926 0.3964 C.3 1 UNL1111111111 -0.1188 8 C -0.5946 2.1107 1.3493 C.3 1 UNL1111111111 -0.1184 9 C -2.8780 -0.7085 0.2576 C.3 1 UNL1111111111 0.0691 10 C -0.7490 -0.3133 1.7813 C.3 1 UNL1111111111 -0.2985 11 C 1.3756 0.5610 0.7316 C.3 1 UNL1111111111 -0.1295 12 C 2.1889 1.8069 0.3492 C.3 1 UNL1111111111 -0.1757 13 C -4.1524 0.1022 -0.1214 C.3 1 UNL1111111111 -0.1565 14 C -2.8676 2.3169 0.0539 C.3 1 UNL1111111111 -0.3561 15 C 0.1979 3.2744 0.7590 C.3 1 UNL1111111111 -0.2829 16 C -3.8077 1.4424 -0.8028 C.3 1 UNL1111111111 0.1580 17 C 1.2343 2.8325 -0.2754 C.3 1 UNL1111111111 -0.2605 18 C 3.3053 1.4053 -0.6515 C.3 1 UNL1111111111 0.2966 19 C -3.3347 -1.9518 1.0556 C.3 1 UNL1111111111 -0.2858 20 C 2.3259 -0.5026 1.3157 C.3 1 UNL1111111111 -0.1456 21 C 4.1907 0.2478 -0.0686 C.3 1 UNL1111111111 -0.0259 22 C -5.0911 -0.7311 -0.9960 C.3 1 UNL1111111111 -0.3044 23 C -2.0727 -1.1504 -0.9686 C.3 1 UNL1111111111 -0.4563 24 C -4.3241 -2.8128 0.2649 C.3 1 UNL1111111111 -0.3361 25 C -5.5230 -1.9780 -0.2146 C.3 1 UNL1111111111 0.1685 26 C 5.2230 -0.1858 -1.1307 C.3 1 UNL1111111111 -0.2825 27 C 4.1687 2.6094 -1.0374 C.3 1 UNL1111111111 -0.4838 28 C 4.0526 -2.0862 0.7201 C.3 1 UNL1111111111 -0.1225 29 C 5.0229 -2.5546 -0.3833 C.3 1 UNL1111111111 -0.0879 30 C 6.0095 -1.4193 -0.6845 C.3 1 UNL1111111111 -0.2847 31 C 5.7581 -3.8160 0.0721 C.3 1 UNL1111111111 -0.4620 32 H -2.7207 0.5294 2.0213 H 1 UNL1111111111 0.1348 33 H 0.7065 1.0397 2.7477 H 1 UNL1111111111 0.1275 34 H -1.1121 1.2152 -0.5515 H 1 UNL1111111111 0.1519 35 H -1.1167 2.4817 2.2641 H 1 UNL1111111111 0.1300 36 H -0.3743 -1.1823 1.2171 H 1 UNL1111111111 0.1471 37 H -0.9060 -0.6651 2.8112 H 1 UNL1111111111 0.1310 38 H 0.9064 0.1511 -0.1994 H 1 UNL1111111111 0.1590 39 H 2.6640 2.2432 1.2554 H 1 UNL1111111111 0.1381 40 H -4.6993 0.3540 0.8247 H 1 UNL1111111111 0.1513 41 H -3.3956 2.6499 0.9668 H 1 UNL1111111111 0.1550 42 H -2.5916 3.2366 -0.4881 H 1 UNL1111111111 0.1403 43 H 0.7081 3.8202 1.5770 H 1 UNL1111111111 0.1333 44 H -0.4997 4.0021 0.3022 H 1 UNL1111111111 0.1357 45 H -3.4027 1.2907 -1.8254 H 1 UNL1111111111 0.1169 46 H 0.7457 2.3945 -1.1682 H 1 UNL1111111111 0.1560 47 H 1.7900 3.7132 -0.6461 H 1 UNL1111111111 0.1343 48 H 2.8185 -0.1227 2.2348 H 1 UNL1111111111 0.1168 49 H 1.7457 -1.4042 1.6100 H 1 UNL1111111111 0.1419 50 H -3.7958 -1.6342 2.0102 H 1 UNL1111111111 0.1351 51 H -2.4521 -2.5564 1.3351 H 1 UNL1111111111 0.1404 52 H 4.7270 0.6246 0.8356 H 1 UNL1111111111 0.1183 53 H -5.9828 -0.1370 -1.2842 H 1 UNL1111111111 0.1694 54 H -4.6171 -1.0223 -1.9505 H 1 UNL1111111111 0.1566 55 H -1.8088 -0.3067 -1.6150 H 1 UNL1111111111 0.1464 56 H -1.1387 -1.6425 -0.6742 H 1 UNL1111111111 0.1485 57 H -2.6355 -1.8599 -1.5866 H 1 UNL1111111111 0.1531 58 H -3.8244 -3.2678 -0.6128 H 1 UNL1111111111 0.1564 59 H -4.6699 -3.6589 0.8837 H 1 UNL1111111111 0.1313 60 H -6.1940 -1.7120 0.6310 H 1 UNL1111111111 0.1094 61 H 5.9182 0.6480 -1.3379 H 1 UNL1111111111 0.1385 62 H 4.7012 -0.3950 -2.0874 H 1 UNL1111111111 0.1628 63 H 4.8808 2.3480 -1.8301 H 1 UNL1111111111 0.1619 64 H 3.5509 3.4169 -1.4514 H 1 UNL1111111111 0.1634 65 H 4.7217 3.0018 -0.1812 H 1 UNL1111111111 0.1468 66 H 3.3155 -2.8929 0.9274 H 1 UNL1111111111 0.1376 67 H 4.6103 -1.8979 1.6614 H 1 UNL1111111111 0.1140 68 H 4.4330 -2.7801 -1.3049 H 1 UNL1111111111 0.1486 69 H 6.7213 -1.7247 -1.4726 H 1 UNL1111111111 0.1380 70 H 6.6214 -1.1899 0.2062 H 1 UNL1111111111 0.1356 71 H -4.9598 2.9765 -1.3244 H 1 UNL1111111111 0.3121 72 H 2.4016 0.0434 -1.7526 H 1 UNL1111111111 0.3390 73 H -6.5887 -3.5676 -0.7577 H 1 UNL1111111111 0.3091 74 H 6.3446 -3.6401 0.9801 H 1 UNL1111111111 0.1439 75 H 5.0591 -4.6332 0.2816 H 1 UNL1111111111 0.1446 76 H 6.4500 -4.1697 -0.7011 H 1 UNL1111111111 0.1479 @BOND 1 1 16 1 2 1 71 1 3 2 18 1 4 2 72 1 5 3 25 1 6 3 73 1 7 4 20 1 8 4 21 1 9 4 28 1 10 5 7 1 11 5 9 1 12 5 10 1 13 5 32 1 14 6 8 1 15 6 10 1 16 6 11 1 17 6 33 1 18 7 8 1 19 7 14 1 20 7 34 1 21 8 15 1 22 8 35 1 23 9 13 1 24 9 19 1 25 9 23 1 26 10 36 1 27 10 37 1 28 11 12 1 29 11 20 1 30 11 38 1 31 12 17 1 32 12 18 1 33 12 39 1 34 13 16 1 35 13 22 1 36 13 40 1 37 14 16 1 38 14 41 1 39 14 42 1 40 15 17 1 41 15 43 1 42 15 44 1 43 16 45 1 44 17 46 1 45 17 47 1 46 18 21 1 47 18 27 1 48 19 24 1 49 19 50 1 50 19 51 1 51 20 48 1 52 20 49 1 53 21 26 1 54 21 52 1 55 22 25 1 56 22 53 1 57 22 54 1 58 23 55 1 59 23 56 1 60 23 57 1 61 24 25 1 62 24 58 1 63 24 59 1 64 25 60 1 65 26 30 1 66 26 61 1 67 26 62 1 68 27 63 1 69 27 64 1 70 27 65 1 71 28 29 1 72 28 66 1 73 28 67 1 74 29 30 1 75 29 31 1 76 29 68 1 77 30 69 1 78 30 70 1 79 31 74 1 80 31 75 1 81 31 76 1