@MOLECULE (3r,3ar,5ar,5br,7ar,8s,9r,10r,11ar,13as,13br)-9,10-dihydroxy-3-isopropyl-3a,5a,8,13a-tetramethyl-1,2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,13,13a,13b-octadecahydro-11ah-cyclopenta[a]chrysene-8,11a-dicarboxylic acid 82 86 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.1232 0.1810 -1.2846 O.3 1 UNL1111111111 -0.4004 2 O -4.6249 2.4265 -1.9677 O.3 1 UNL1111111111 -0.4592 3 O -3.3555 2.2685 1.7913 O.3 1 UNL1111111111 -0.5111 4 O -2.3387 0.5877 2.8105 O.2 1 UNL1111111111 -0.2279 5 O -3.9421 -2.4703 -1.8283 O.3 1 UNL1111111111 -0.4938 6 O -5.1574 -3.1250 -0.0870 O.2 1 UNL1111111111 -0.2208 7 C 2.0686 0.8119 -0.2984 C.3 1 UNL1111111111 0.1618 8 C 1.5272 -0.3079 0.6615 C.3 1 UNL1111111111 0.8801 9 C 3.5837 0.9076 -0.0773 C.3 1 UNL1111111111 -0.0531 10 C 4.3871 -0.4071 -0.3352 C.3 1 UNL1111111111 0.7077 11 C 0.0136 -0.5043 0.3470 C.3 1 UNL1111111111 -0.7182 12 C 5.8232 0.1105 0.0152 C.3 1 UNL1111111111 -0.2740 13 C 2.2993 -1.6261 0.4252 C.3 1 UNL1111111111 -0.4334 14 C 3.8213 -1.4776 0.6086 C.3 1 UNL1111111111 -0.7116 15 C 4.3887 1.9783 -0.8258 C.3 1 UNL1111111111 -0.5312 16 C 1.3953 2.1458 0.1127 C.3 1 UNL1111111111 -0.6075 17 C -0.7118 0.8143 0.3155 C.2 1 UNL1111111111 -0.1893 18 C 5.8560 1.5288 -0.6301 C.3 1 UNL1111111111 -0.4932 19 C -2.2324 0.7409 0.3533 C.3 1 UNL1111111111 0.7859 20 C -2.6924 -0.6996 0.0100 C.3 1 UNL1111111111 -0.2237 21 C -0.6658 -1.4370 1.3624 C.3 1 UNL1111111111 -0.2780 22 C 1.6987 0.5592 -1.7685 C.3 1 UNL1111111111 -0.8797 23 C 1.6902 0.0864 2.1422 C.3 1 UNL1111111111 -0.9692 24 C 4.3664 -0.9248 -1.7757 C.3 1 UNL1111111111 -1.0528 25 C -0.0841 1.9956 0.2385 C.2 1 UNL1111111111 -0.1674 26 C -2.1247 -1.7332 0.9908 C.3 1 UNL1111111111 -0.6332 27 C 7.0179 -0.7419 -0.4469 C.3 1 UNL1111111111 0.2649 28 C -4.2305 -0.8437 -0.1300 C.3 1 UNL1111111111 0.7716 29 C -2.8052 1.7165 -0.6917 C.3 1 UNL1111111111 -0.5585 30 C -4.7114 0.1440 -1.2221 C.3 1 UNL1111111111 -0.4520 31 C -4.3202 1.5931 -0.8642 C.3 1 UNL1111111111 -0.0274 32 C -2.6175 1.1224 1.7697 C.2 1 UNL1111111111 -0.0201 33 C 6.9866 -2.1435 0.1759 C.3 1 UNL1111111111 -0.9686 34 C 8.3343 -0.0553 -0.0447 C.3 1 UNL1111111111 -0.9052 35 C -5.0174 -0.6421 1.1602 C.3 1 UNL1111111111 -1.0005 36 C -4.5155 -2.2561 -0.6104 C.2 1 UNL1111111111 -0.0406 37 H 3.7153 1.1399 1.0191 H 1 UNL1111111111 0.1171 38 H -0.0634 -0.9751 -0.6679 H 1 UNL1111111111 0.2885 39 H 5.8893 0.2152 1.1221 H 1 UNL1111111111 0.1677 40 H 2.0845 -2.0113 -0.5880 H 1 UNL1111111111 0.1393 41 H 1.9307 -2.4031 1.1214 H 1 UNL1111111111 0.1952 42 H 4.0530 -1.2250 1.6589 H 1 UNL1111111111 0.1932 43 H 4.3062 -2.4532 0.4234 H 1 UNL1111111111 0.2463 44 H 4.1229 2.0206 -1.8931 H 1 UNL1111111111 0.2025 45 H 4.2105 2.9846 -0.4210 H 1 UNL1111111111 0.1878 46 H 1.8175 2.5171 1.0691 H 1 UNL1111111111 0.2188 47 H 1.6409 2.9276 -0.6345 H 1 UNL1111111111 0.2195 48 H 6.3832 1.5075 -1.5961 H 1 UNL1111111111 0.2001 49 H 6.4044 2.2315 0.0135 H 1 UNL1111111111 0.2098 50 H -2.2572 -0.9217 -1.0078 H 1 UNL1111111111 0.1891 51 H -0.6383 -0.9717 2.3711 H 1 UNL1111111111 0.2262 52 H -0.1016 -2.3819 1.4512 H 1 UNL1111111111 0.1771 53 H 1.7710 -0.4987 -2.0383 H 1 UNL1111111111 0.2237 54 H 2.3602 1.1153 -2.4410 H 1 UNL1111111111 0.2420 55 H 0.6727 0.8772 -1.9894 H 1 UNL1111111111 0.2328 56 H 0.9633 0.8520 2.4385 H 1 UNL1111111111 0.2830 57 H 2.6891 0.4773 2.3589 H 1 UNL1111111111 0.2294 58 H 1.5378 -0.7749 2.8019 H 1 UNL1111111111 0.2426 59 H 5.0790 -1.7465 -1.9097 H 1 UNL1111111111 0.2673 60 H 4.6291 -0.1372 -2.4892 H 1 UNL1111111111 0.2553 61 H 3.3855 -1.3173 -2.0610 H 1 UNL1111111111 0.2810 62 H -0.6255 2.9422 0.2554 H 1 UNL1111111111 0.1801 63 H -2.2062 -2.7452 0.5513 H 1 UNL1111111111 0.2620 64 H -2.7278 -1.7604 1.9220 H 1 UNL1111111111 0.2490 65 H 6.9956 -0.8388 -1.5584 H 1 UNL1111111111 0.1070 66 H -2.3086 1.5534 -1.6715 H 1 UNL1111111111 0.2180 67 H -2.5712 2.7698 -0.4247 H 1 UNL1111111111 0.2366 68 H -4.3212 -0.1342 -2.2283 H 1 UNL1111111111 0.2194 69 H -4.8889 1.9665 0.0168 H 1 UNL1111111111 0.2006 70 H 8.3946 0.0878 1.0391 H 1 UNL1111111111 0.2748 71 H 8.4388 0.9268 -0.5160 H 1 UNL1111111111 0.2121 72 H 9.1989 -0.6551 -0.3473 H 1 UNL1111111111 0.2538 73 H 6.8944 -2.0950 1.2659 H 1 UNL1111111111 0.2762 74 H 7.9027 -2.6985 -0.0536 H 1 UNL1111111111 0.2774 75 H 6.1473 -2.7345 -0.2050 H 1 UNL1111111111 0.2442 76 H -4.9341 0.3815 1.5459 H 1 UNL1111111111 0.2899 77 H -4.6929 -1.3263 1.9563 H 1 UNL1111111111 0.2770 78 H -6.0921 -0.8247 1.0045 H 1 UNL1111111111 0.2645 79 H -6.4856 -0.6956 -1.5191 H 1 UNL1111111111 0.3410 80 H -5.5672 2.3065 -2.2165 H 1 UNL1111111111 0.3370 81 H -3.5794 2.5755 2.7022 H 1 UNL1111111111 0.3858 82 H -4.0840 -3.3836 -2.1799 H 1 UNL1111111111 0.3881 @BOND 1 1 30 1 2 1 79 1 3 2 31 1 4 2 80 1 5 3 32 1 6 3 81 1 7 4 32 2 8 5 36 1 9 5 82 1 10 6 36 2 11 7 8 1 12 7 9 1 13 7 16 1 14 7 22 1 15 8 11 1 16 8 13 1 17 8 23 1 18 9 10 1 19 9 15 1 20 9 37 1 21 10 12 1 22 10 14 1 23 10 24 1 24 11 17 1 25 11 21 1 26 11 38 1 27 12 18 1 28 12 27 1 29 12 39 1 30 13 14 1 31 13 40 1 32 13 41 1 33 14 42 1 34 14 43 1 35 15 18 1 36 15 44 1 37 15 45 1 38 16 25 1 39 16 46 1 40 16 47 1 41 17 19 1 42 17 25 2 43 18 48 1 44 18 49 1 45 19 20 1 46 19 29 1 47 19 32 1 48 20 26 1 49 20 28 1 50 20 50 1 51 21 26 1 52 21 51 1 53 21 52 1 54 22 53 1 55 22 54 1 56 22 55 1 57 23 56 1 58 23 57 1 59 23 58 1 60 24 59 1 61 24 60 1 62 24 61 1 63 25 62 1 64 26 63 1 65 26 64 1 66 27 33 1 67 27 34 1 68 27 65 1 69 28 30 1 70 28 35 1 71 28 36 1 72 29 31 1 73 29 66 1 74 29 67 1 75 30 31 1 76 30 68 1 77 31 69 1 78 33 73 1 79 33 74 1 80 33 75 1 81 34 70 1 82 34 71 1 83 34 72 1 84 35 76 1 85 35 77 1 86 35 78 1