@MOLECULE (7e,9s,10s,11r,12r,13r,14r,15r,16s,17s,18e,20z)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.0~5,27~]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone 91 93 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9223 0.4324 -0.6249 O.3 1 UNL1111111111 -0.5914 2 O -4.8377 1.6138 -1.8721 O.3 1 UNL1111111111 -0.5903 3 O 0.3546 1.4533 -1.6675 O.3 1 UNL1111111111 -0.5699 4 O -6.9822 0.0025 -1.9675 O.3 1 UNL1111111111 -0.5831 5 O 6.0596 1.9894 -0.5511 O.2 1 UNL1111111111 -0.5149 6 O 6.3101 -0.1223 -2.0998 O.3 1 UNL1111111111 -0.4582 7 O 3.5629 -3.7728 -1.2387 O.3 1 UNL1111111111 -0.4435 8 O 4.0361 0.7905 2.4109 O.2 1 UNL1111111111 -0.3976 9 O 2.0182 -3.6313 0.9455 O.2 1 UNL1111111111 -0.4373 10 O -0.2055 -2.7441 -0.0846 O.2 1 UNL1111111111 -0.4736 11 N 0.0745 -1.8216 1.9759 N.am 1 UNL1111111111 -0.5601 12 C -3.5830 1.8863 0.1542 C.3 1 UNL1111111111 -0.1671 13 C -2.3431 1.7735 -0.7806 C.3 1 UNL1111111111 0.1554 14 C -4.7150 1.1001 -0.5443 C.3 1 UNL1111111111 0.1314 15 C -1.2235 2.7803 -0.3952 C.3 1 UNL1111111111 -0.2229 16 C -6.1375 1.1021 0.0574 C.3 1 UNL1111111111 -0.2136 17 C 0.1448 2.0771 -0.4164 C.3 1 UNL1111111111 0.1381 18 C -7.0290 -0.0158 -0.5643 C.3 1 UNL1111111111 0.1544 19 C -3.2118 1.2953 1.5161 C.3 1 UNL1111111111 -0.4338 20 C 1.3555 2.9916 -0.0852 C.3 1 UNL1111111111 -0.1437 21 C -1.2793 3.9810 -1.3391 C.3 1 UNL1111111111 -0.4478 22 C -6.7558 -1.4701 -0.0757 C.3 1 UNL1111111111 -0.1629 23 C -6.1991 0.9964 1.5758 C.3 1 UNL1111111111 -0.4452 24 C 1.1694 3.5558 1.3246 C.3 1 UNL1111111111 -0.4530 25 C 2.5991 2.1729 -0.2461 C.2 1 UNL1111111111 -0.1411 26 C -7.7190 -2.4228 -0.7938 C.3 1 UNL1111111111 -0.4344 27 C -5.3516 -1.8835 -0.3627 C.2 1 UNL1111111111 -0.0575 28 C 3.8563 2.5039 0.0791 C.2 1 UNL1111111111 -0.0893 29 C -4.4698 -2.1807 0.6056 C.2 1 UNL1111111111 -0.2644 30 C 4.9625 1.5563 -0.2399 C.2 1 UNL1111111111 0.5270 31 C 4.3151 3.7790 0.6843 C.3 1 UNL1111111111 -0.4401 32 C 4.6838 0.1098 -0.3309 C.ar 1 UNL1111111111 -0.3461 33 C -3.0533 -2.3313 0.3243 C.2 1 UNL1111111111 0.0247 34 C 3.7867 -0.5549 0.4918 C.ar 1 UNL1111111111 0.0809 35 C 5.3141 -0.6347 -1.3690 C.ar 1 UNL1111111111 0.3970 36 C 3.3320 -1.8374 0.1733 C.ar 1 UNL1111111111 -0.3863 37 C 4.9332 -1.9425 -1.6865 C.ar 1 UNL1111111111 -0.1949 38 C 3.3238 0.0354 1.7964 C.2 1 UNL1111111111 0.4492 39 C 3.9205 -2.5281 -0.9114 C.ar 1 UNL1111111111 0.4181 40 C -2.1427 -2.4937 1.2996 C.2 1 UNL1111111111 -0.3526 41 C 2.2333 -2.4392 0.9231 C.2 1 UNL1111111111 0.5033 42 C 1.9841 -0.3702 2.2567 C.2 1 UNL1111111111 -0.2105 43 C 1.4045 -1.4833 1.7446 C.2 1 UNL1111111111 0.1458 44 C -0.7139 -2.4225 0.9622 C.2 1 UNL1111111111 0.6205 45 C 5.5762 -2.6807 -2.8010 C.3 1 UNL1111111111 -0.4025 46 C 1.3295 0.5039 3.2614 C.3 1 UNL1111111111 -0.4216 47 H -3.8704 2.9527 0.2606 H 1 UNL1111111111 0.1343 48 H -2.6283 1.9066 -1.8506 H 1 UNL1111111111 0.1409 49 H -4.3402 0.0683 -0.7509 H 1 UNL1111111111 0.1741 50 H -1.3993 3.1386 0.6485 H 1 UNL1111111111 0.1520 51 H -6.6121 2.0762 -0.2374 H 1 UNL1111111111 0.1474 52 H 0.1373 1.1961 0.2776 H 1 UNL1111111111 0.1602 53 H -8.1019 0.2207 -0.3495 H 1 UNL1111111111 0.1322 54 H -3.3044 0.1992 1.5077 H 1 UNL1111111111 0.1640 55 H -3.8222 1.6957 2.3281 H 1 UNL1111111111 0.1359 56 H -2.1636 1.5014 1.7685 H 1 UNL1111111111 0.1477 57 H 1.4005 3.8373 -0.8170 H 1 UNL1111111111 0.1522 58 H -1.0638 3.7018 -2.3769 H 1 UNL1111111111 0.1463 59 H -0.5636 4.7588 -1.0469 H 1 UNL1111111111 0.1487 60 H -2.2730 4.4459 -1.3309 H 1 UNL1111111111 0.1473 61 H -6.9667 -1.5066 1.0213 H 1 UNL1111111111 0.1428 62 H -5.6197 0.1423 1.9488 H 1 UNL1111111111 0.1558 63 H -7.2315 0.8713 1.9270 H 1 UNL1111111111 0.1480 64 H -5.8117 1.9022 2.0581 H 1 UNL1111111111 0.1501 65 H -1.1688 0.2407 -1.2324 H 1 UNL1111111111 0.3523 66 H -5.1804 2.5268 -1.8796 H 1 UNL1111111111 0.3197 67 H 2.0732 4.0572 1.6902 H 1 UNL1111111111 0.1631 68 H 0.3597 4.2923 1.3601 H 1 UNL1111111111 0.1407 69 H 0.9389 2.7650 2.0470 H 1 UNL1111111111 0.1511 70 H 2.4091 1.2004 -0.7323 H 1 UNL1111111111 0.1826 71 H -7.6401 -2.3129 -1.8863 H 1 UNL1111111111 0.1715 72 H -8.7607 -2.2166 -0.5277 H 1 UNL1111111111 0.1435 73 H -7.5086 -3.4681 -0.5444 H 1 UNL1111111111 0.1449 74 H 0.3756 2.1015 -2.3966 H 1 UNL1111111111 0.3218 75 H -6.1568 0.4253 -2.2955 H 1 UNL1111111111 0.3508 76 H -5.0837 -1.8876 -1.4240 H 1 UNL1111111111 0.1638 77 H -4.7700 -2.2461 1.6510 H 1 UNL1111111111 0.1560 78 H 5.3219 4.0615 0.3264 H 1 UNL1111111111 0.1789 79 H 4.3934 3.6846 1.7804 H 1 UNL1111111111 0.1676 80 H 3.6525 4.6228 0.4568 H 1 UNL1111111111 0.1484 81 H -2.7388 -2.2253 -0.7246 H 1 UNL1111111111 0.1740 82 H -2.4074 -2.6456 2.3398 H 1 UNL1111111111 0.1673 83 H -0.3750 -1.4407 2.7991 H 1 UNL1111111111 0.3143 84 H 5.5401 -3.7710 -2.6530 H 1 UNL1111111111 0.1624 85 H 5.0767 -2.4690 -3.7594 H 1 UNL1111111111 0.1575 86 H 6.6348 -2.4025 -2.9232 H 1 UNL1111111111 0.1621 87 H 0.3459 0.8630 2.9273 H 1 UNL1111111111 0.1456 88 H 1.9433 1.3924 3.4954 H 1 UNL1111111111 0.1765 89 H 1.1905 -0.0214 4.2194 H 1 UNL1111111111 0.1562 90 H 6.6091 0.7795 -1.7355 H 1 UNL1111111111 0.3773 91 H 2.8444 -4.1247 -0.6138 H 1 UNL1111111111 0.3761 @BOND 1 1 13 1 2 1 65 1 3 2 14 1 4 2 66 1 5 3 17 1 6 3 74 1 7 4 18 1 8 4 75 1 9 5 30 2 10 6 35 1 11 6 90 1 12 7 39 1 13 7 91 1 14 8 38 2 15 9 41 2 16 10 44 2 17 11 43 1 18 11 44 am 19 11 83 1 20 12 13 1 21 12 14 1 22 12 19 1 23 12 47 1 24 13 15 1 25 13 48 1 26 14 16 1 27 14 49 1 28 15 17 1 29 15 21 1 30 15 50 1 31 16 18 1 32 16 23 1 33 16 51 1 34 17 20 1 35 17 52 1 36 18 22 1 37 18 53 1 38 19 54 1 39 19 55 1 40 19 56 1 41 20 24 1 42 20 25 1 43 20 57 1 44 21 58 1 45 21 59 1 46 21 60 1 47 22 26 1 48 22 27 1 49 22 61 1 50 23 62 1 51 23 63 1 52 23 64 1 53 24 67 1 54 24 68 1 55 24 69 1 56 25 28 2 57 25 70 1 58 26 71 1 59 26 72 1 60 26 73 1 61 27 29 2 62 27 76 1 63 28 30 1 64 28 31 1 65 29 33 1 66 29 77 1 67 30 32 1 68 31 78 1 69 31 79 1 70 31 80 1 71 32 34 ar 72 32 35 ar 73 33 40 2 74 33 81 1 75 34 36 ar 76 34 38 1 77 35 37 ar 78 36 39 ar 79 36 41 1 80 37 39 ar 81 37 45 1 82 38 42 1 83 40 44 1 84 40 82 1 85 41 43 1 86 42 43 2 87 42 46 1 88 45 84 1 89 45 85 1 90 45 86 1 91 46 87 1 92 46 88 1 93 46 89 1