@MOLECULE (1s,2r,5s,8r,8ar)-5-{2-[4-(2-methyl-2-propanyl)phenyl]ethyl}octahydro-1,2,8-indolizinetriol 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.7228 -1.9916 -2.0672 O.3 1 UNL1111111111 -0.5667 2 C 3.6396 -1.5975 -0.7104 C.3 1 UNL1111111111 0.1622 3 C 3.1231 -0.1451 -0.6527 C.3 1 UNL1111111111 -0.0849 4 N 2.9417 0.1939 0.7829 N.3 1 UNL1111111111 -0.4790 5 C 2.8684 1.6723 0.8787 C.3 1 UNL1111111111 -0.1682 6 C 3.5994 2.2127 -0.3827 C.3 1 UNL1111111111 0.0889 7 O 4.6299 3.0817 -0.0126 O.3 1 UNL1111111111 -0.5406 8 C 4.1176 0.9378 -1.1213 C.3 1 UNL1111111111 0.0740 9 O 5.4268 0.6516 -0.6933 O.3 1 UNL1111111111 -0.5505 10 C 2.5974 -2.5293 -0.0754 C.3 1 UNL1111111111 -0.2973 11 C 2.2795 -2.0679 1.3504 C.3 1 UNL1111111111 -0.2846 12 C 1.8610 -0.5752 1.4240 C.3 1 UNL1111111111 0.0696 13 C 0.4611 -0.3468 0.8132 C.3 1 UNL1111111111 -0.3230 14 C -0.6486 -0.8650 1.7380 C.3 1 UNL1111111111 -0.2784 15 C -1.9809 -0.5354 1.1367 C.ar 1 UNL1111111111 -0.0005 16 C -2.5042 -1.3279 0.1123 C.ar 1 UNL1111111111 -0.1690 17 C -3.7198 -0.9963 -0.4739 C.ar 1 UNL1111111111 -0.1615 18 C -4.4404 0.1281 -0.0506 C.ar 1 UNL1111111111 -0.0203 19 C -5.7524 0.4589 -0.7346 C.3 1 UNL1111111111 0.1114 20 C -6.7138 -0.7336 -0.5752 C.3 1 UNL1111111111 -0.4584 21 C -6.4343 1.7060 -0.1470 C.3 1 UNL1111111111 -0.4618 22 C -5.4766 0.7191 -2.2278 C.3 1 UNL1111111111 -0.4582 23 C -3.9160 0.9064 0.9811 C.ar 1 UNL1111111111 -0.1645 24 C -2.6959 0.5789 1.5707 C.ar 1 UNL1111111111 -0.1717 25 H 4.4822 -1.5501 -2.4977 H 1 UNL1111111111 0.3227 26 H 4.6374 -1.7064 -0.2366 H 1 UNL1111111111 0.1262 27 H 2.1841 -0.0732 -1.2560 H 1 UNL1111111111 0.1480 28 H 1.8400 2.0699 0.9482 H 1 UNL1111111111 0.1326 29 H 3.4033 1.9826 1.8018 H 1 UNL1111111111 0.1645 30 H 2.9394 2.8344 -1.0198 H 1 UNL1111111111 0.1449 31 H 5.4934 2.6051 0.0133 H 1 UNL1111111111 0.3359 32 H 4.2115 1.0513 -2.2141 H 1 UNL1111111111 0.1528 33 H 5.4076 0.3361 0.2443 H 1 UNL1111111111 0.3381 34 H 1.6853 -2.5523 -0.7028 H 1 UNL1111111111 0.1575 35 H 2.9759 -3.5686 -0.0749 H 1 UNL1111111111 0.1513 36 H 1.4820 -2.6976 1.7829 H 1 UNL1111111111 0.1427 37 H 3.1708 -2.2140 1.9928 H 1 UNL1111111111 0.1478 38 H 1.8429 -0.2607 2.5018 H 1 UNL1111111111 0.1392 39 H 0.3031 0.7317 0.6193 H 1 UNL1111111111 0.1481 40 H 0.3845 -0.8395 -0.1745 H 1 UNL1111111111 0.1534 41 H -0.5488 -1.9592 1.8871 H 1 UNL1111111111 0.1494 42 H -0.5460 -0.4217 2.7482 H 1 UNL1111111111 0.1462 43 H -1.9577 -2.2041 -0.2304 H 1 UNL1111111111 0.1526 44 H -4.1119 -1.6207 -1.2752 H 1 UNL1111111111 0.1505 45 H -6.8726 -0.9702 0.4829 H 1 UNL1111111111 0.1494 46 H -7.6904 -0.5169 -1.0197 H 1 UNL1111111111 0.1467 47 H -6.3274 -1.6365 -1.0583 H 1 UNL1111111111 0.1455 48 H -5.8047 2.5960 -0.2526 H 1 UNL1111111111 0.1470 49 H -7.3785 1.9152 -0.6625 H 1 UNL1111111111 0.1477 50 H -6.6680 1.5739 0.9148 H 1 UNL1111111111 0.1474 51 H -5.0763 -0.1681 -2.7284 H 1 UNL1111111111 0.1459 52 H -6.3917 1.0087 -2.7541 H 1 UNL1111111111 0.1466 53 H -4.7466 1.5259 -2.3575 H 1 UNL1111111111 0.1491 54 H -4.4489 1.7841 1.3417 H 1 UNL1111111111 0.1532 55 H -2.3026 1.2021 2.3711 H 1 UNL1111111111 0.1503 @BOND 1 1 2 1 2 1 25 1 3 2 3 1 4 2 10 1 5 2 26 1 6 3 4 1 7 3 8 1 8 3 27 1 9 4 5 1 10 4 12 1 11 5 6 1 12 5 28 1 13 5 29 1 14 6 7 1 15 6 8 1 16 6 30 1 17 7 31 1 18 8 9 1 19 8 32 1 20 9 33 1 21 10 11 1 22 10 34 1 23 10 35 1 24 11 12 1 25 11 36 1 26 11 37 1 27 12 13 1 28 12 38 1 29 13 14 1 30 13 39 1 31 13 40 1 32 14 15 1 33 14 41 1 34 14 42 1 35 15 16 ar 36 15 24 ar 37 16 17 ar 38 16 43 1 39 17 18 ar 40 17 44 1 41 18 19 1 42 18 23 ar 43 19 20 1 44 19 21 1 45 19 22 1 46 20 45 1 47 20 46 1 48 20 47 1 49 21 48 1 50 21 49 1 51 21 50 1 52 22 51 1 53 22 52 1 54 22 53 1 55 23 24 ar 56 23 54 1 57 24 55 1