@MOLECULE (10e)-6-{[5-hydroxy-2-(methoxymethyl)-9-methyl-9-(2-oxiranyl)-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl]oxy}-7-isopropyl-1-(methoxymethyl)-4,9a-dimethyl-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5-diol 94 100 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.6836 2.8942 1.9965 C.3 1 UNL1111111111 -0.1101 2 O 0.1237 4.1120 2.4964 O.3 1 UNL1111111111 -0.3450 3 C 0.0725 3.8965 1.0831 C.3 1 UNL1111111111 -0.0276 4 C -1.2975 3.6637 0.4922 C.3 1 UNL1111111111 0.1900 5 C -2.3841 4.4740 1.1576 C.3 1 UNL1111111111 -0.4731 6 O -1.6414 2.2597 0.6373 O.3 1 UNL1111111111 -0.4168 7 C -1.6982 1.7495 -0.6910 C.3 1 UNL1111111111 0.3276 8 C -2.4851 0.4663 -0.7825 C.3 1 UNL1111111111 0.0721 9 O -2.1412 -0.2693 -1.9480 O.3 1 UNL1111111111 -0.4429 10 C -3.9849 0.7441 -0.9508 C.3 1 UNL1111111111 -0.0627 11 O -4.6190 -0.2895 -0.2083 O.3 1 UNL1111111111 -0.3813 12 C -6.0269 -0.2626 -0.3396 C.3 1 UNL1111111111 -0.1984 13 O -2.2902 2.8451 -1.4227 O.3 1 UNL1111111111 -0.4249 14 C -1.2909 3.8086 -1.0849 C.3 1 UNL1111111111 0.2426 15 O -0.0852 3.2037 -1.5426 O.3 1 UNL1111111111 -0.4034 16 C -0.2400 1.7984 -1.2504 C.3 1 UNL1111111111 -0.0097 17 C -0.1304 0.9758 -2.5236 C.3 1 UNL1111111111 0.0821 18 O 1.1938 0.7967 -2.9358 O.3 1 UNL1111111111 -0.5542 19 C -0.7790 -0.4155 -2.2520 C.3 1 UNL1111111111 0.2585 20 O -0.0499 -0.9483 -1.1834 O.3 1 UNL1111111111 -0.4221 21 C -0.4528 -2.2325 -0.7121 C.3 1 UNL1111111111 0.0765 22 C 0.5244 -3.3434 -1.1915 C.3 1 UNL1111111111 0.1097 23 O 0.2202 -4.4983 -0.4438 O.3 1 UNL1111111111 -0.5689 24 C 2.0566 -3.1109 -1.2566 C.3 1 UNL1111111111 -0.1273 25 C 2.8749 -3.9645 -0.2869 C.3 1 UNL1111111111 -0.4523 26 C -0.5722 -2.0631 0.7595 C.2 1 UNL1111111111 -0.1479 27 C -1.7392 -2.1471 1.4374 C.2 1 UNL1111111111 0.0175 28 C -3.0242 -2.7289 0.9506 C.3 1 UNL1111111111 -0.0935 29 C -2.8601 -4.2486 0.7913 C.3 1 UNL1111111111 -0.4546 30 C -4.2060 -2.4364 1.8833 C.3 1 UNL1111111111 -0.4433 31 C -1.6159 -1.5545 2.8182 C.3 1 UNL1111111111 -0.2836 32 C -0.2505 -0.8369 2.7767 C.3 1 UNL1111111111 -0.2847 33 C 0.5533 -1.6106 1.6657 C.3 1 UNL1111111111 0.1182 34 C 1.1912 -2.8299 2.3661 C.3 1 UNL1111111111 -0.4697 35 C 1.6338 -0.7452 1.1083 C.2 1 UNL1111111111 -0.1861 36 C 2.4118 -0.8142 0.0245 C.2 1 UNL1111111111 -0.0214 37 C 2.4653 -1.6388 -1.2262 C.3 1 UNL1111111111 -0.1205 38 C 3.9221 -1.4821 -1.7495 C.3 1 UNL1111111111 -0.2829 39 C 4.3078 -0.0454 -1.3936 C.3 1 UNL1111111111 -0.3399 40 C 3.4884 0.2707 -0.1285 C.3 1 UNL1111111111 0.2727 41 O 2.7690 1.4761 -0.3083 O.3 1 UNL1111111111 -0.5892 42 C 4.3871 0.4141 1.1155 C.3 1 UNL1111111111 -0.1104 43 O 5.2971 1.4450 0.7486 O.3 1 UNL1111111111 -0.3932 44 C 5.9589 2.0262 1.8541 C.3 1 UNL1111111111 -0.1952 45 H 1.7633 2.8031 2.0780 H 1 UNL1111111111 0.1474 46 H 0.1373 1.9901 2.2699 H 1 UNL1111111111 0.1640 47 H 0.7107 4.5744 0.5050 H 1 UNL1111111111 0.1644 48 H -2.1924 5.5506 1.0923 H 1 UNL1111111111 0.1554 49 H -3.3677 4.2661 0.7157 H 1 UNL1111111111 0.1645 50 H -2.4516 4.2216 2.2287 H 1 UNL1111111111 0.1783 51 H -2.2801 -0.1774 0.1136 H 1 UNL1111111111 0.1896 52 H -4.2716 1.7242 -0.5277 H 1 UNL1111111111 0.1416 53 H -4.2820 0.6924 -2.0150 H 1 UNL1111111111 0.1451 54 H -6.3494 -1.1127 0.2746 H 1 UNL1111111111 0.1431 55 H -6.4396 0.6710 0.0545 H 1 UNL1111111111 0.1205 56 H -6.3271 -0.4130 -1.3811 H 1 UNL1111111111 0.1216 57 H -1.4513 4.7644 -1.5695 H 1 UNL1111111111 0.1631 58 H 0.5340 1.5390 -0.4926 H 1 UNL1111111111 0.1988 59 H -0.6234 1.4684 -3.3944 H 1 UNL1111111111 0.1698 60 H 1.8169 0.8874 -2.1655 H 1 UNL1111111111 0.3523 61 H -0.7977 -1.0893 -3.1325 H 1 UNL1111111111 0.1446 62 H -1.4583 -2.4856 -1.1463 H 1 UNL1111111111 0.1484 63 H 0.1922 -3.6583 -2.2158 H 1 UNL1111111111 0.1330 64 H 0.3277 -4.3325 0.5203 H 1 UNL1111111111 0.3271 65 H 2.3419 -3.4782 -2.2881 H 1 UNL1111111111 0.1371 66 H 2.4200 -4.9500 -0.1249 H 1 UNL1111111111 0.1578 67 H 3.8805 -4.1503 -0.6832 H 1 UNL1111111111 0.1401 68 H 3.0081 -3.4674 0.6802 H 1 UNL1111111111 0.1516 69 H -3.2714 -2.2859 -0.0561 H 1 UNL1111111111 0.1683 70 H -2.6187 -4.7267 1.7453 H 1 UNL1111111111 0.1430 71 H -3.7792 -4.7059 0.4117 H 1 UNL1111111111 0.1438 72 H -2.0556 -4.4961 0.0850 H 1 UNL1111111111 0.1640 73 H -4.0436 -2.8381 2.8873 H 1 UNL1111111111 0.1383 74 H -4.3825 -1.3555 1.9659 H 1 UNL1111111111 0.1565 75 H -5.1266 -2.8839 1.4937 H 1 UNL1111111111 0.1394 76 H -2.4359 -0.8478 3.0355 H 1 UNL1111111111 0.1551 77 H -1.6565 -2.3301 3.6002 H 1 UNL1111111111 0.1446 78 H -0.3893 0.2184 2.4840 H 1 UNL1111111111 0.1466 79 H 0.2644 -0.8439 3.7428 H 1 UNL1111111111 0.1355 80 H 0.4765 -3.3175 3.0383 H 1 UNL1111111111 0.1475 81 H 1.5237 -3.5843 1.6488 H 1 UNL1111111111 0.1489 82 H 2.0601 -2.5326 2.9612 H 1 UNL1111111111 0.1470 83 H 1.8261 0.1030 1.7883 H 1 UNL1111111111 0.1479 84 H 1.8050 -1.1106 -1.9818 H 1 UNL1111111111 0.1938 85 H 4.5982 -2.2022 -1.2608 H 1 UNL1111111111 0.1391 86 H 3.9832 -1.6737 -2.8308 H 1 UNL1111111111 0.1408 87 H 5.3913 0.0726 -1.2363 H 1 UNL1111111111 0.1573 88 H 4.0457 0.6552 -2.2082 H 1 UNL1111111111 0.1596 89 H 3.3865 2.2391 -0.3331 H 1 UNL1111111111 0.3393 90 H 3.8056 0.7031 2.0066 H 1 UNL1111111111 0.1330 91 H 4.9507 -0.5097 1.3223 H 1 UNL1111111111 0.1306 92 H 5.2472 2.5220 2.5219 H 1 UNL1111111111 0.1245 93 H 6.5509 1.2816 2.3942 H 1 UNL1111111111 0.1211 94 H 6.6198 2.7663 1.3844 H 1 UNL1111111111 0.1445 @BOND 1 1 3 1 2 1 45 1 3 1 46 1 4 2 1 1 5 2 3 1 6 3 4 1 7 3 47 1 8 4 14 1 9 5 4 1 10 5 48 1 11 5 49 1 12 5 50 1 13 6 4 1 14 6 7 1 15 7 16 1 16 7 13 1 17 8 7 1 18 8 9 1 19 8 51 1 20 9 19 1 21 10 8 1 22 10 11 1 23 10 52 1 24 10 53 1 25 12 11 1 26 12 54 1 27 12 55 1 28 12 56 1 29 13 14 1 30 14 15 1 31 14 57 1 32 16 15 1 33 16 17 1 34 16 58 1 35 17 18 1 36 17 59 1 37 18 60 1 38 19 17 1 39 19 61 1 40 20 19 1 41 21 22 1 42 21 20 1 43 21 62 1 44 22 23 1 45 22 63 1 46 23 64 1 47 24 22 1 48 24 25 1 49 24 65 1 50 25 66 1 51 25 67 1 52 25 68 1 53 26 21 1 54 27 28 1 55 27 26 2 56 28 69 1 57 29 28 1 58 29 70 1 59 29 71 1 60 29 72 1 61 30 28 1 62 30 73 1 63 30 74 1 64 30 75 1 65 31 32 1 66 31 27 1 67 31 76 1 68 31 77 1 69 32 33 1 70 32 78 1 71 32 79 1 72 33 26 1 73 33 34 1 74 34 80 1 75 34 81 1 76 34 82 1 77 35 36 2 78 35 33 1 79 35 83 1 80 36 37 1 81 37 24 1 82 37 84 1 83 38 37 1 84 38 85 1 85 38 86 1 86 39 38 1 87 39 87 1 88 39 88 1 89 40 42 1 90 40 36 1 91 40 39 1 92 41 40 1 93 41 89 1 94 42 90 1 95 42 91 1 96 43 44 1 97 43 42 1 98 44 92 1 99 44 93 1 100 44 94 1