@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 2.3942 1.4262 -0.0017 O.3 1 UNL1111111111 -0.4404 2 O 2.2932 -1.4292 -2.1945 O.3 1 UNL1111111111 -0.5480 3 O 2.2062 -1.2765 1.3776 O.3 1 UNL1111111111 -0.4288 4 O 0.1348 -2.7866 -1.1270 O.3 1 UNL1111111111 -0.3882 5 O -2.5841 -2.3566 0.8719 O.2 1 UNL1111111111 -0.3930 6 O -3.0958 2.8654 -0.4124 O.2 1 UNL1111111111 -0.4850 7 O 3.7288 2.4239 -1.5087 O.2 1 UNL1111111111 -0.4947 8 O 4.1304 -2.4155 1.6542 O.2 1 UNL1111111111 -0.5040 9 O 0.7089 -4.6787 -0.0531 O.2 1 UNL1111111111 -0.5137 10 O -5.6889 2.7105 0.0191 O.3 1 UNL1111111111 -0.4601 11 N -0.5134 1.4625 -0.6692 N.ar 1 UNL1111111111 -0.1182 12 N -0.0195 3.8653 -1.2344 N.1 1 UNL1111111111 -0.1759 13 C 2.5831 -0.8196 -0.9531 C.3 1 UNL1111111111 0.2706 14 C 2.0078 -1.8257 0.0803 C.3 1 UNL1111111111 0.0556 15 C 1.8535 0.5610 -0.9965 C.3 1 UNL1111111111 0.0650 16 C 0.4714 -2.0164 0.0263 C.3 1 UNL1111111111 0.1185 17 C -0.2240 -0.7259 -0.1723 C.ar 1 UNL1111111111 -0.0302 18 C 0.4242 0.4267 -0.6269 C.ar 1 UNL1111111111 0.0682 19 C -1.5838 -0.3958 0.0480 C.ar 1 UNL1111111111 -0.1437 20 C 4.0808 -0.6328 -0.7738 C.3 1 UNL1111111111 -0.5112 21 C -1.7467 0.9606 -0.2594 C.ar 1 UNL1111111111 -0.0584 22 C -2.7035 -1.2099 0.5143 C.2 1 UNL1111111111 0.4643 23 C -3.0177 1.6734 -0.1677 C.2 1 UNL1111111111 0.5053 24 C -4.0348 -0.5200 0.5391 C.ar 1 UNL1111111111 -0.0195 25 C -4.1628 0.8522 0.2239 C.ar 1 UNL1111111111 -0.3257 26 C 3.3196 2.3541 -0.3823 C.2 1 UNL1111111111 0.5947 27 C -0.2525 2.7605 -0.9772 C.1 1 UNL1111111111 0.2380 28 C 3.2973 -1.6674 2.0904 C.2 1 UNL1111111111 0.6354 29 C 0.2516 -4.1378 -1.0256 C.2 1 UNL1111111111 0.6289 30 C 3.6747 3.1949 0.8200 C.3 1 UNL1111111111 -0.1298 31 C -5.1406 -1.2681 0.8889 C.ar 1 UNL1111111111 -0.1829 32 C -5.4417 1.4243 0.2872 C.ar 1 UNL1111111111 0.3837 33 C 3.2540 -1.0093 3.4257 C.3 1 UNL1111111111 -0.5091 34 C -0.2630 -4.7623 -2.2756 C.3 1 UNL1111111111 -0.5082 35 C -6.4181 -0.6731 0.9381 C.ar 1 UNL1111111111 -0.0515 36 C -6.5795 0.6613 0.6433 C.ar 1 UNL1111111111 -0.2501 37 C 3.2945 4.6405 0.5029 C.3 1 UNL1111111111 -0.4439 38 C 5.1732 3.0390 1.0757 C.3 1 UNL1111111111 -0.4434 39 H 2.5204 -2.8129 -0.0298 H 1 UNL1111111111 0.1846 40 H 1.9835 1.0093 -2.0164 H 1 UNL1111111111 0.1779 41 H 0.1140 -2.5459 0.9495 H 1 UNL1111111111 0.1845 42 H 4.6086 -1.5992 -0.7855 H 1 UNL1111111111 0.1815 43 H 4.3201 -0.1624 0.1891 H 1 UNL1111111111 0.1702 44 H 4.5155 0.0016 -1.5580 H 1 UNL1111111111 0.1689 45 H 2.9866 -1.2400 -2.8601 H 1 UNL1111111111 0.3270 46 H 3.1022 2.8462 1.7186 H 1 UNL1111111111 0.1684 47 H -5.0307 -2.3282 1.1332 H 1 UNL1111111111 0.1818 48 H 2.6950 -0.0596 3.4077 H 1 UNL1111111111 0.1882 49 H 2.7572 -1.6640 4.1611 H 1 UNL1111111111 0.1890 50 H 4.2694 -0.8054 3.7965 H 1 UNL1111111111 0.1806 51 H -1.3031 -5.0995 -2.1342 H 1 UNL1111111111 0.1847 52 H 0.3403 -5.6407 -2.5518 H 1 UNL1111111111 0.1831 53 H -0.2586 -4.0600 -3.1255 H 1 UNL1111111111 0.1888 54 H -7.2783 -1.2852 1.2152 H 1 UNL1111111111 0.1557 55 H -7.5515 1.1509 0.6740 H 1 UNL1111111111 0.1813 56 H 3.8135 5.0100 -0.3929 H 1 UNL1111111111 0.1656 57 H 2.2165 4.7506 0.3176 H 1 UNL1111111111 0.1645 58 H 3.5537 5.3105 1.3304 H 1 UNL1111111111 0.1539 59 H 5.7634 3.3104 0.1885 H 1 UNL1111111111 0.1650 60 H 5.4370 2.0094 1.3449 H 1 UNL1111111111 0.1490 61 H 5.5028 3.6888 1.8954 H 1 UNL1111111111 0.1556 62 H -4.8394 3.2134 -0.2260 H 1 UNL1111111111 0.3795 @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