@MOLECULE (1s,2r,5r,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 5.7571 -1.7878 -0.0008 O.3 1 UNL1111111111 -0.5659 2 C 4.4676 -1.3798 0.4172 C.3 1 UNL1111111111 0.1628 3 C 4.0599 -0.1349 -0.3942 C.3 1 UNL1111111111 -0.0936 4 N 2.6592 0.2151 -0.0214 N.3 1 UNL1111111111 -0.4726 5 C 2.4341 1.5939 -0.5301 C.3 1 UNL1111111111 -0.1723 6 C 3.8381 2.2616 -0.5775 C.3 1 UNL1111111111 0.0874 7 O 3.8544 3.4227 0.1996 O.3 1 UNL1111111111 -0.5383 8 C 4.8153 1.1651 -0.0478 C.3 1 UNL1111111111 0.0766 9 O 4.9684 1.3107 1.3429 O.3 1 UNL1111111111 -0.5495 10 C 3.5332 -2.5396 0.0463 C.3 1 UNL1111111111 -0.3059 11 C 2.0791 -2.1271 0.2853 C.3 1 UNL1111111111 -0.2853 12 C 1.7105 -0.8277 -0.4793 C.3 1 UNL1111111111 0.0625 13 C 0.2670 -0.4047 -0.1406 C.3 1 UNL1111111111 -0.2899 14 C -0.7489 -1.3796 -0.7526 C.3 1 UNL1111111111 -0.2840 15 C -2.1400 -0.9005 -0.4722 C.ar 1 UNL1111111111 0.0027 16 C -2.7961 -0.0679 -1.3811 C.ar 1 UNL1111111111 -0.1694 17 C -4.0876 0.3722 -1.1162 C.ar 1 UNL1111111111 -0.1647 18 C -4.7507 -0.0076 0.0576 C.ar 1 UNL1111111111 -0.0186 19 C -6.1648 0.4853 0.2922 C.3 1 UNL1111111111 0.1109 20 C -7.0560 -0.0064 -0.8642 C.3 1 UNL1111111111 -0.4585 21 C -6.7659 -0.0257 1.6125 C.3 1 UNL1111111111 -0.4616 22 C -6.1526 2.0247 0.3336 C.3 1 UNL1111111111 -0.4582 23 C -4.0835 -0.8307 0.9649 C.ar 1 UNL1111111111 -0.1668 24 C -2.7887 -1.2746 0.7034 C.ar 1 UNL1111111111 -0.1688 25 H 6.4341 -1.1773 0.3529 H 1 UNL1111111111 0.3223 26 H 4.4802 -1.1850 1.5096 H 1 UNL1111111111 0.1292 27 H 4.1874 -0.3619 -1.4821 H 1 UNL1111111111 0.1437 28 H 1.9399 1.6311 -1.5168 H 1 UNL1111111111 0.1297 29 H 1.7802 2.1262 0.1938 H 1 UNL1111111111 0.1690 30 H 4.1037 2.6155 -1.5930 H 1 UNL1111111111 0.1431 31 H 4.1887 3.2268 1.1072 H 1 UNL1111111111 0.3360 32 H 5.8418 1.2367 -0.4426 H 1 UNL1111111111 0.1518 33 H 4.1289 1.0458 1.7967 H 1 UNL1111111111 0.3401 34 H 3.6995 -2.8317 -1.0084 H 1 UNL1111111111 0.1552 35 H 3.7922 -3.4354 0.6410 H 1 UNL1111111111 0.1540 36 H 1.4027 -2.9439 -0.0237 H 1 UNL1111111111 0.1423 37 H 1.9057 -1.9719 1.3687 H 1 UNL1111111111 0.1545 38 H 1.7964 -1.0066 -1.5812 H 1 UNL1111111111 0.1153 39 H 0.1342 -0.3426 0.9564 H 1 UNL1111111111 0.1586 40 H 0.0630 0.6172 -0.5142 H 1 UNL1111111111 0.1499 41 H -0.5780 -1.4752 -1.8436 H 1 UNL1111111111 0.1465 42 H -0.6012 -2.3998 -0.3440 H 1 UNL1111111111 0.1486 43 H -2.2975 0.2370 -2.2985 H 1 UNL1111111111 0.1506 44 H -4.5867 1.0205 -1.8347 H 1 UNL1111111111 0.1501 45 H -7.0242 -1.0987 -0.9457 H 1 UNL1111111111 0.1493 46 H -8.0994 0.2877 -0.7129 H 1 UNL1111111111 0.1467 47 H -6.7367 0.4031 -1.8276 H 1 UNL1111111111 0.1454 48 H -6.1860 0.3148 2.4770 H 1 UNL1111111111 0.1473 49 H -7.7894 0.3435 1.7441 H 1 UNL1111111111 0.1477 50 H -6.8110 -1.1197 1.6377 H 1 UNL1111111111 0.1471 51 H -5.8162 2.4557 -0.6145 H 1 UNL1111111111 0.1456 52 H -7.1511 2.4234 0.5389 H 1 UNL1111111111 0.1467 53 H -5.4789 2.3899 1.1170 H 1 UNL1111111111 0.1498 54 H -4.5637 -1.1410 1.8909 H 1 UNL1111111111 0.1534 55 H -2.2845 -1.9163 1.4230 H 1 UNL1111111111 0.1511 @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