@MOLECULE (3r,4ar,5s,6s,6as,10s,10ar,10bs)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1h-benzo[f]chromen-5-yl 5-(4-methyl-1-piperazinyl)pentanoate 89 92 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.4888 -1.1340 -0.0301 C.3 1 UNL1111111111 0.1353 2 O 5.6456 -0.6970 1.3074 O.3 1 UNL1111111111 -0.5307 3 C 5.8532 -2.6263 -0.1073 C.3 1 UNL1111111111 -0.3302 4 C 4.9440 -3.4320 0.8194 C.3 1 UNL1111111111 -0.2859 5 C 3.4418 -3.2857 0.4684 C.3 1 UNL1111111111 0.1281 6 C 3.0784 -1.7760 0.4316 C.3 1 UNL1111111111 -0.1733 7 C 1.5843 -1.5325 0.1456 C.3 1 UNL1111111111 0.1224 8 O 1.2692 -1.9768 -1.1578 O.3 1 UNL1111111111 -0.5507 9 C 1.2158 -0.0368 0.3130 C.3 1 UNL1111111111 0.0292 10 O -0.1148 0.0797 -0.1857 O.3 1 UNL1111111111 -0.4600 11 C 2.1073 0.9213 -0.5142 C.3 1 UNL1111111111 0.2202 12 O 1.8188 2.1732 0.0984 O.3 1 UNL1111111111 -0.4661 13 C 3.5876 0.5816 -0.1410 C.3 1 UNL1111111111 0.1058 14 O 3.6973 0.7456 1.2603 O.3 1 UNL1111111111 -0.5076 15 C 4.0059 -0.8875 -0.4368 C.3 1 UNL1111111111 0.0685 16 C 4.4385 1.6881 -0.7640 C.2 1 UNL1111111111 0.4666 17 O 5.2822 1.5150 -1.6023 O.2 1 UNL1111111111 -0.4556 18 C 4.1105 3.0520 -0.2226 C.3 1 UNL1111111111 -0.4618 19 C 2.5916 3.3289 -0.1878 C.3 1 UNL1111111111 0.3201 20 C 2.2819 4.2520 0.9720 C.2 1 UNL1111111111 -0.2051 21 C 1.3479 4.0012 1.8864 C.2 1 UNL1111111111 -0.2647 22 C 2.1064 3.9776 -1.4876 C.3 1 UNL1111111111 -0.4960 23 C 1.7518 0.9594 -1.9853 C.3 1 UNL1111111111 -0.4851 24 C 2.6509 -3.9533 1.6207 C.3 1 UNL1111111111 -0.4791 25 C 3.1217 -4.0535 -0.8160 C.3 1 UNL1111111111 -0.4647 26 C 3.9344 -1.1504 -1.9448 C.3 1 UNL1111111111 -0.4818 27 C -1.0302 0.7389 0.5751 C.2 1 UNL1111111111 0.6244 28 O -0.7903 1.1557 1.6761 O.2 1 UNL1111111111 -0.5010 29 C -2.3295 0.8007 -0.1705 C.3 1 UNL1111111111 -0.3451 30 C -3.4153 0.1402 0.6871 C.3 1 UNL1111111111 -0.2573 31 C -4.7761 0.2163 -0.0082 C.3 1 UNL1111111111 -0.2740 32 C -5.8644 -0.3859 0.9042 C.3 1 UNL1111111111 -0.1173 33 N -7.1873 -0.1269 0.2843 N.3 1 UNL1111111111 -0.4306 34 C -8.2577 -0.0768 1.3109 C.3 1 UNL1111111111 -0.1219 35 C -9.5877 0.3111 0.6224 C.3 1 UNL1111111111 -0.1253 36 N -9.9218 -0.7244 -0.3863 N.3 1 UNL1111111111 -0.4001 37 C -8.8523 -0.7814 -1.4133 C.3 1 UNL1111111111 -0.1257 38 C -7.5202 -1.1620 -0.7244 C.3 1 UNL1111111111 -0.1226 39 C -11.2290 -0.4329 -1.0132 C.3 1 UNL1111111111 -0.2836 40 H 6.1653 -0.5173 -0.6661 H 1 UNL1111111111 0.1304 41 H 6.5346 -0.9274 1.6350 H 1 UNL1111111111 0.2986 42 H 6.9108 -2.7699 0.1792 H 1 UNL1111111111 0.1313 43 H 5.7772 -2.9946 -1.1460 H 1 UNL1111111111 0.1479 44 H 5.1040 -3.0939 1.8639 H 1 UNL1111111111 0.1488 45 H 5.2280 -4.4988 0.7943 H 1 UNL1111111111 0.1284 46 H 3.2562 -1.4128 1.4938 H 1 UNL1111111111 0.1903 47 H 0.9511 -2.1338 0.8430 H 1 UNL1111111111 0.1271 48 H 0.3629 -1.6833 -1.3940 H 1 UNL1111111111 0.3190 49 H 1.2523 0.2480 1.3949 H 1 UNL1111111111 0.1768 50 H 3.1059 1.4747 1.5741 H 1 UNL1111111111 0.3234 51 H 4.5434 3.1213 0.8023 H 1 UNL1111111111 0.1947 52 H 4.6283 3.8383 -0.8072 H 1 UNL1111111111 0.1815 53 H 2.8888 5.1550 0.9878 H 1 UNL1111111111 0.1479 54 H 1.1267 4.6634 2.7096 H 1 UNL1111111111 0.1404 55 H 0.7227 3.1127 1.8885 H 1 UNL1111111111 0.1754 56 H 1.0116 3.9231 -1.5525 H 1 UNL1111111111 0.1652 57 H 2.3830 5.0367 -1.5357 H 1 UNL1111111111 0.1544 58 H 2.5194 3.4907 -2.3764 H 1 UNL1111111111 0.1574 59 H 0.8455 1.5615 -2.1412 H 1 UNL1111111111 0.1659 60 H 2.5527 1.3787 -2.6043 H 1 UNL1111111111 0.1564 61 H 1.5292 -0.0447 -2.3773 H 1 UNL1111111111 0.1797 62 H 2.9980 -4.9773 1.7896 H 1 UNL1111111111 0.1420 63 H 2.7669 -3.4069 2.5617 H 1 UNL1111111111 0.1462 64 H 1.5827 -4.0141 1.3917 H 1 UNL1111111111 0.1451 65 H 3.3865 -5.1109 -0.7236 H 1 UNL1111111111 0.1313 66 H 2.0521 -4.0011 -1.0590 H 1 UNL1111111111 0.1644 67 H 3.6570 -3.6529 -1.6809 H 1 UNL1111111111 0.1494 68 H 4.5037 -2.0400 -2.2375 H 1 UNL1111111111 0.1501 69 H 2.9074 -1.3372 -2.2835 H 1 UNL1111111111 0.1791 70 H 4.3419 -0.3166 -2.5284 H 1 UNL1111111111 0.1628 71 H -2.2573 0.3127 -1.1640 H 1 UNL1111111111 0.1736 72 H -2.5807 1.8647 -0.3710 H 1 UNL1111111111 0.1794 73 H -3.4622 0.6403 1.6777 H 1 UNL1111111111 0.1577 74 H -3.1506 -0.9151 0.8929 H 1 UNL1111111111 0.1426 75 H -4.7520 -0.3106 -0.9785 H 1 UNL1111111111 0.1397 76 H -5.0431 1.2654 -0.2455 H 1 UNL1111111111 0.1585 77 H -5.8213 0.1119 1.8979 H 1 UNL1111111111 0.1381 78 H -5.6714 -1.4642 1.0813 H 1 UNL1111111111 0.1169 79 H -7.9948 0.6994 2.0601 H 1 UNL1111111111 0.1358 80 H -8.3843 -1.0415 1.8473 H 1 UNL1111111111 0.1280 81 H -9.4961 1.3274 0.1830 H 1 UNL1111111111 0.1274 82 H -10.3995 0.3407 1.3787 H 1 UNL1111111111 0.1361 83 H -9.1191 -1.5630 -2.1551 H 1 UNL1111111111 0.1358 84 H -8.7280 0.1774 -1.9607 H 1 UNL1111111111 0.1266 85 H -6.7097 -1.1932 -1.4819 H 1 UNL1111111111 0.1342 86 H -7.6092 -2.1783 -0.2825 H 1 UNL1111111111 0.1279 87 H -11.4706 -1.2372 -1.7275 H 1 UNL1111111111 0.1462 88 H -12.0090 -0.4476 -0.2337 H 1 UNL1111111111 0.1467 89 H -11.2795 0.5311 -1.5406 H 1 UNL1111111111 0.1199 @BOND 1 1 2 1 2 1 3 1 3 1 15 1 4 1 40 1 5 2 41 1 6 3 4 1 7 3 42 1 8 3 43 1 9 4 5 1 10 4 44 1 11 4 45 1 12 5 6 1 13 5 24 1 14 5 25 1 15 6 7 1 16 6 15 1 17 6 46 1 18 7 8 1 19 7 9 1 20 7 47 1 21 8 48 1 22 9 10 1 23 9 11 1 24 9 49 1 25 10 27 1 26 11 12 1 27 11 13 1 28 11 23 1 29 12 19 1 30 13 14 1 31 13 15 1 32 13 16 1 33 14 50 1 34 15 26 1 35 16 17 2 36 16 18 1 37 18 19 1 38 18 51 1 39 18 52 1 40 19 20 1 41 19 22 1 42 20 21 2 43 20 53 1 44 21 54 1 45 21 55 1 46 22 56 1 47 22 57 1 48 22 58 1 49 23 59 1 50 23 60 1 51 23 61 1 52 24 62 1 53 24 63 1 54 24 64 1 55 25 65 1 56 25 66 1 57 25 67 1 58 26 68 1 59 26 69 1 60 26 70 1 61 27 28 2 62 27 29 1 63 29 30 1 64 29 71 1 65 29 72 1 66 30 31 1 67 30 73 1 68 30 74 1 69 31 32 1 70 31 75 1 71 31 76 1 72 32 33 1 73 32 77 1 74 32 78 1 75 33 34 1 76 33 38 1 77 34 35 1 78 34 79 1 79 34 80 1 80 35 36 1 81 35 81 1 82 35 82 1 83 36 37 1 84 36 39 1 85 37 38 1 86 37 83 1 87 37 84 1 88 38 85 1 89 38 86 1 90 39 87 1 91 39 88 1 92 39 89 1