@MOLECULE (1s,2r,3s,4r)-1-acetoxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1h-benzo[b]carbazole-2,4-diyl bis(2-methylpropanoate) 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7379 1.5699 -0.7229 O.3 1 UNL1111111111 -0.4450 2 O -2.6842 1.2907 2.6597 O.3 1 UNL1111111111 -0.5647 3 O -2.8109 -1.1704 0.0581 O.3 1 UNL1111111111 -0.4393 4 O 0.4499 2.6932 0.4012 O.3 1 UNL1111111111 -0.4264 5 O 2.8963 1.8060 0.9381 O.2 1 UNL1111111111 -0.3958 6 O 2.2202 -3.4720 0.0021 O.2 1 UNL1111111111 -0.4871 7 O -1.2695 3.6525 -1.4539 O.2 1 UNL1111111111 -0.5081 8 O -4.4659 -2.0484 1.2972 O.2 1 UNL1111111111 -0.5034 9 O 0.5530 4.2744 2.0014 O.2 1 UNL1111111111 -0.5082 10 O 4.7743 -3.6730 -0.6202 O.3 1 UNL1111111111 -0.4604 11 N -0.0535 -1.7458 0.7038 N.ar 1 UNL1111111111 -0.1066 12 N -1.0208 -4.0388 0.3259 N.1 1 UNL1111111111 -0.1872 13 C -2.7572 0.9493 1.2914 C.3 1 UNL1111111111 0.2824 14 C -1.8018 1.9821 0.6338 C.3 1 UNL1111111111 0.0651 15 C -2.2516 -0.5310 1.2000 C.3 1 UNL1111111111 0.0687 16 C -0.3704 1.8745 1.2198 C.3 1 UNL1111111111 0.1033 17 C 0.1134 0.4869 1.0262 C.ar 1 UNL1111111111 -0.0268 18 C -0.7826 -0.5900 0.9884 C.ar 1 UNL1111111111 0.0450 19 C 1.4085 -0.0174 0.7603 C.ar 1 UNL1111111111 -0.1428 20 C -4.1675 1.1025 0.7526 C.3 1 UNL1111111111 -0.5048 21 C 1.2850 -1.3983 0.5442 C.ar 1 UNL1111111111 -0.0651 22 C 2.7100 0.6427 0.6764 C.2 1 UNL1111111111 0.4705 23 C 2.3908 -2.2770 0.1766 C.2 1 UNL1111111111 0.5036 24 C 3.8506 -0.2304 0.2379 C.ar 1 UNL1111111111 -0.0222 25 C 3.6841 -1.6153 0.0140 C.ar 1 UNL1111111111 -0.3246 26 C -1.2805 2.4673 -1.6434 C.2 1 UNL1111111111 0.6232 27 C -3.9359 -1.9279 0.2262 C.2 1 UNL1111111111 0.6002 28 C -0.5727 -2.9853 0.5001 C.1 1 UNL1111111111 0.2475 29 C 0.8653 3.8928 0.9062 C.2 1 UNL1111111111 0.6599 30 C -0.8466 1.6913 -2.8666 C.3 1 UNL1111111111 -0.1339 31 C -4.3234 -2.5159 -1.1085 C.3 1 UNL1111111111 -0.1267 32 C 5.0834 0.3667 0.0645 C.ar 1 UNL1111111111 -0.1826 33 C 4.8067 -2.3579 -0.3809 C.ar 1 UNL1111111111 0.3838 34 C 1.6969 4.5716 -0.1235 C.3 1 UNL1111111111 -0.5104 35 C 6.1977 -0.3990 -0.3358 C.ar 1 UNL1111111111 -0.0517 36 C 6.0730 -1.7513 -0.5587 C.ar 1 UNL1111111111 -0.2520 37 C 0.6494 1.4095 -2.7053 C.3 1 UNL1111111111 -0.4371 38 C -1.1414 2.5151 -4.1161 C.3 1 UNL1111111111 -0.4452 39 C -5.6963 -1.9595 -1.4861 C.3 1 UNL1111111111 -0.4443 40 C -4.3474 -4.0358 -0.9623 C.3 1 UNL1111111111 -0.4484 41 H -2.1942 3.0184 0.7176 H 1 UNL1111111111 0.1729 42 H -2.5539 -1.0769 2.1336 H 1 UNL1111111111 0.1781 43 H -0.3453 2.1972 2.2941 H 1 UNL1111111111 0.1996 44 H -4.1907 0.9369 -0.3355 H 1 UNL1111111111 0.1782 45 H -4.8696 0.3938 1.2109 H 1 UNL1111111111 0.1675 46 H -4.5551 2.1147 0.9330 H 1 UNL1111111111 0.1693 47 H -3.4860 1.0073 3.1466 H 1 UNL1111111111 0.3369 48 H -1.4020 0.7186 -2.9121 H 1 UNL1111111111 0.1685 49 H -3.5739 -2.2254 -1.8911 H 1 UNL1111111111 0.1722 50 H 5.2039 1.4379 0.2441 H 1 UNL1111111111 0.1807 51 H 1.1297 4.7025 -1.0621 H 1 UNL1111111111 0.1929 52 H 2.0218 5.5634 0.2235 H 1 UNL1111111111 0.1812 53 H 2.5950 3.9763 -0.3592 H 1 UNL1111111111 0.1909 54 H 7.1627 0.0946 -0.4643 H 1 UNL1111111111 0.1548 55 H 6.9141 -2.3708 -0.8654 H 1 UNL1111111111 0.1812 56 H -0.7474 2.0268 -5.0148 H 1 UNL1111111111 0.1515 57 H -2.2186 2.6605 -4.2607 H 1 UNL1111111111 0.1493 58 H -0.6875 3.5149 -4.0559 H 1 UNL1111111111 0.1637 59 H 1.2409 2.3333 -2.7187 H 1 UNL1111111111 0.1551 60 H 1.0208 0.7648 -3.5090 H 1 UNL1111111111 0.1518 61 H 0.8579 0.9048 -1.7499 H 1 UNL1111111111 0.1631 62 H -4.6700 -4.5189 -1.8917 H 1 UNL1111111111 0.1544 63 H -6.4537 -2.2041 -0.7282 H 1 UNL1111111111 0.1622 64 H -5.0337 -4.3575 -0.1671 H 1 UNL1111111111 0.1634 65 H -6.0424 -2.3815 -2.4377 H 1 UNL1111111111 0.1563 66 H -5.6775 -0.8691 -1.5991 H 1 UNL1111111111 0.1500 67 H -3.3546 -4.4408 -0.7146 H 1 UNL1111111111 0.1720 68 H 3.8441 -4.0571 -0.4744 H 1 UNL1111111111 0.3794 @BOND 1 1 14 1 2 1 26 1 3 2 13 1 4 2 47 1 5 3 15 1 6 3 27 1 7 4 16 1 8 4 29 1 9 5 22 2 10 6 23 2 11 7 26 2 12 8 27 2 13 9 29 2 14 10 33 1 15 10 68 1 16 11 18 ar 17 11 21 ar 18 11 28 1 19 12 28 3 20 13 14 1 21 13 15 1 22 13 20 1 23 14 16 1 24 14 41 1 25 15 18 1 26 15 42 1 27 16 17 1 28 16 43 1 29 17 18 ar 30 17 19 ar 31 19 21 ar 32 19 22 1 33 20 44 1 34 20 45 1 35 20 46 1 36 21 23 1 37 22 24 1 38 23 25 1 39 24 25 ar 40 24 32 ar 41 25 33 ar 42 26 30 1 43 27 31 1 44 29 34 1 45 30 37 1 46 30 38 1 47 30 48 1 48 31 39 1 49 31 40 1 50 31 49 1 51 32 35 ar 52 32 50 1 53 33 36 ar 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 59 1 61 37 60 1 62 37 61 1 63 38 56 1 64 38 57 1 65 38 58 1 66 39 63 1 67 39 65 1 68 39 66 1 69 40 62 1 70 40 64 1 71 40 67 1