@MOLECULE (1s,3s,4r)-1,2-diacetoxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1h-benzo[b]carbazol-4-yl 2-methylpropanoate 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3158 -1.7831 -0.4027 O.3 1 UNL1111111111 -0.4678 2 O 4.0001 0.8129 -0.0340 O.3 1 UNL1111111111 -0.5699 3 O 2.2064 1.9832 1.5072 O.3 1 UNL1111111111 -0.4551 4 O 0.1745 2.4663 -1.3745 O.3 1 UNL1111111111 -0.4333 5 O -2.7280 2.3479 -0.3173 O.2 1 UNL1111111111 -0.4002 6 O -2.8736 -3.0057 0.3700 O.2 1 UNL1111111111 -0.3733 7 O 4.4638 -1.8217 0.2539 O.2 1 UNL1111111111 -0.5236 8 O 3.5575 3.7882 1.3770 O.2 1 UNL1111111111 -0.4832 9 O -0.2325 4.5678 -0.6640 O.2 1 UNL1111111111 -0.4869 10 O -5.4008 -2.8921 0.5137 O.3 1 UNL1111111111 -0.4019 11 N -0.3424 -1.5356 0.3642 N.ar 1 UNL1111111111 -0.1124 12 N 0.3192 -3.9498 0.6314 N.1 1 UNL1111111111 -0.1953 13 C 2.6579 0.6689 -0.4165 C.3 1 UNL1111111111 0.2727 14 C 1.9948 1.9788 0.1020 C.3 1 UNL1111111111 0.0596 15 C 2.0374 -0.5718 0.2996 C.3 1 UNL1111111111 0.0651 16 C 0.4543 2.0397 -0.0430 C.3 1 UNL1111111111 0.1085 17 C -0.1765 0.7062 0.0920 C.ar 1 UNL1111111111 -0.0409 18 C 0.5574 -0.4708 0.2590 C.ar 1 UNL1111111111 0.0375 19 C -1.5505 0.3524 0.0879 C.ar 1 UNL1111111111 -0.1633 20 C 2.5657 0.5650 -1.9317 C.3 1 UNL1111111111 -0.4932 21 C -1.6349 -1.0339 0.2541 C.ar 1 UNL1111111111 -0.0437 22 C -2.7485 1.1649 -0.0778 C.2 1 UNL1111111111 0.4702 23 C -2.8911 -1.8023 0.2942 C.2 1 UNL1111111111 0.4640 24 C -4.0502 0.4294 0.0586 C.ar 1 UNL1111111111 -0.0315 25 C -4.1039 -0.9661 0.2300 C.ar 1 UNL1111111111 -0.2361 26 C 3.5452 -2.3553 -0.3141 C.2 1 UNL1111111111 0.6252 27 C 0.0019 -2.8432 0.5039 C.1 1 UNL1111111111 0.2575 28 C 3.1004 2.8841 2.0183 C.2 1 UNL1111111111 0.6521 29 C -0.2468 3.7557 -1.5472 C.2 1 UNL1111111111 0.6412 30 C 3.5192 -3.6863 -1.0249 C.3 1 UNL1111111111 -0.1245 31 C -5.2113 1.1870 0.0082 C.ar 1 UNL1111111111 -0.1831 32 C -5.3708 -1.5561 0.3465 C.ar 1 UNL1111111111 0.3373 33 C 3.3376 2.5496 3.4509 C.3 1 UNL1111111111 -0.5077 34 C -0.6672 3.9317 -2.9647 C.3 1 UNL1111111111 -0.5092 35 C -6.4650 0.5719 0.1281 C.ar 1 UNL1111111111 -0.0446 36 C -6.5552 -0.7979 0.2970 C.ar 1 UNL1111111111 -0.3063 37 C 4.6440 -3.6883 -2.0586 C.3 1 UNL1111111111 -0.4451 38 C 3.7038 -4.7789 0.0270 C.3 1 UNL1111111111 -0.4436 39 H 2.4739 2.8610 -0.3884 H 1 UNL1111111111 0.1879 40 H 2.4370 -0.6530 1.3416 H 1 UNL1111111111 0.1774 41 H 0.0320 2.7665 0.7035 H 1 UNL1111111111 0.1925 42 H 2.9412 -0.3954 -2.3004 H 1 UNL1111111111 0.1566 43 H 1.5317 0.6756 -2.2859 H 1 UNL1111111111 0.1736 44 H 3.1709 1.3506 -2.4067 H 1 UNL1111111111 0.1725 45 H 4.4326 -0.0624 0.0893 H 1 UNL1111111111 0.3545 46 H 2.5327 -3.8325 -1.5404 H 1 UNL1111111111 0.1760 47 H -5.1475 2.2706 -0.1257 H 1 UNL1111111111 0.1841 48 H 2.5179 1.9606 3.8898 H 1 UNL1111111111 0.1834 49 H 4.2602 1.9533 3.5510 H 1 UNL1111111111 0.1879 50 H 3.4658 3.4640 4.0492 H 1 UNL1111111111 0.1804 51 H -0.3614 4.9184 -3.3444 H 1 UNL1111111111 0.1822 52 H -0.2538 3.1593 -3.6309 H 1 UNL1111111111 0.1836 53 H -1.7667 3.8728 -3.0388 H 1 UNL1111111111 0.1883 54 H -7.3692 1.1816 0.0874 H 1 UNL1111111111 0.1548 55 H -7.5206 -1.2860 0.3905 H 1 UNL1111111111 0.1645 56 H 4.7018 -4.6546 -2.5748 H 1 UNL1111111111 0.1579 57 H 5.6233 -3.5088 -1.5919 H 1 UNL1111111111 0.1659 58 H 4.4981 -2.9166 -2.8241 H 1 UNL1111111111 0.1515 59 H 2.8521 -4.8218 0.7225 H 1 UNL1111111111 0.1692 60 H 4.6151 -4.6295 0.6202 H 1 UNL1111111111 0.1599 61 H 3.7766 -5.7678 -0.4428 H 1 UNL1111111111 0.1584 62 H -6.3264 -3.2426 0.5951 H 1 UNL1111111111 0.3216 @BOND 1 1 15 1 2 1 26 1 3 2 13 1 4 2 45 1 5 3 14 1 6 3 28 1 7 4 16 1 8 4 29 1 9 5 22 2 10 6 23 2 11 7 26 2 12 8 28 2 13 9 29 2 14 10 32 1 15 10 62 1 16 11 18 ar 17 11 21 ar 18 11 27 1 19 12 27 3 20 13 14 1 21 13 15 1 22 13 20 1 23 14 16 1 24 14 39 1 25 15 18 1 26 15 40 1 27 16 17 1 28 16 41 1 29 17 18 ar 30 17 19 ar 31 19 21 ar 32 19 22 1 33 20 42 1 34 20 43 1 35 20 44 1 36 21 23 1 37 22 24 1 38 23 25 1 39 24 25 ar 40 24 31 ar 41 25 32 ar 42 26 30 1 43 28 33 1 44 29 34 1 45 30 37 1 46 30 38 1 47 30 46 1 48 31 35 ar 49 31 47 1 50 32 36 ar 51 33 48 1 52 33 49 1 53 33 50 1 54 34 51 1 55 34 52 1 56 34 53 1 57 35 36 ar 58 35 54 1 59 36 55 1 60 37 56 1 61 37 57 1 62 37 58 1 63 38 59 1 64 38 60 1 65 38 61 1