@MOLECULE (1s,3s,4s)-1,2,4-triacetoxy-5-cyano-7-hydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1h-benzo[b]carbazol-4-yl 2-methylpropanoate 41 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.2518 1.2205 2.1922 O.2 1 UNL1 -0.3455 2 O 1.2261 3.2585 -0.7941 O.3 1 UNL1 -0.2019 3 O 3.3658 -0.8813 -0.9187 O.3 1 UNL1 -0.1615 4 O 0.8739 -2.2383 -0.4933 O.3 1 UNL1 -0.2620 5 O -1.6240 -2.8311 0.4570 O.2 1 UNL1 -0.3254 6 O -4.3619 1.6747 0.5632 O.2 1 UNL1 -0.3402 7 O 1.4182 3.3796 3.0686 O.2 1 UNL1 -0.3031 8 O 3.6823 5.6121 -1.2200 O.2 1 UNL1 -0.1401 9 O 6.7388 -3.8195 -0.5916 O.3 1 UNL1 -0.2629 10 O 1.9146 -4.1512 -0.5430 O.2 1 UNL1 -0.3166 11 O -6.4440 0.5448 -0.8121 O.2 1 UNL1 -0.3410 12 N -1.4816 1.7594 -0.1913 N.ar 1 UNL1 -0.1400 13 N -2.1394 4.1852 -0.2670 N.1 1 UNL1 -0.1513 14 C 2.2219 1.1730 -0.8803 C.ar 1 UNL1 -0.2898 15 C 1.0320 1.9152 -0.7016 C.ar 1 UNL1 0.2174 16 C 2.1792 -0.2228 -0.7855 C.ar 1 UNL1 0.1929 17 C 0.9791 -0.8770 -0.5378 C.ar 1 UNL1 0.0169 18 C -0.1756 1.2858 -0.4250 C.ar 1 UNL1 -0.0444 19 C -0.2020 -0.1492 -0.3328 C.ar 1 UNL1 0.0801 20 C -1.5535 -0.5078 -0.0550 C.ar 1 UNL1 -0.2279 21 C 3.3119 2.1034 -1.1076 C.3 1 UNL1 0.1764 22 C -2.3069 0.6669 0.0064 C.ar 1 UNL1 0.0946 23 C -2.1614 -1.8109 0.1258 C.2 1 UNL1 0.4972 24 C -3.7886 0.6893 0.1796 C.2 1 UNL1 0.4783 25 C -3.6421 -1.7808 -0.1526 C.2 1 UNL1 -0.0139 26 C -4.4027 -0.5843 -0.1893 C.2 1 UNL1 -0.4038 27 C 1.3362 2.2986 2.6378 C.1 1 UNL1 0.6487 28 C -1.8466 3.0656 -0.2296 C.1 1 UNL1 0.2211 29 C 3.1654 4.5884 -1.1404 C.1 1 UNL1 0.5597 30 C 5.6844 -3.3353 -0.6407 C.1 1 UNL1 0.5932 31 C 2.0451 -2.9627 -0.5843 C.2 1 UNL1 0.4782 32 C 1.1011 -1.6755 3.1021 C.1 2 UNL2 -0.9904 33 C -4.4305 -2.8604 -0.3710 C.3 1 UNL1 0.1639 34 C -5.8167 -0.4602 -0.6319 C.2 1 UNL1 0.4508 35 C 2.6413 3.3666 -1.0314 C.2 1 UNL1 -0.3236 36 C 4.5099 -2.8210 -0.6888 C.1 1 UNL1 -0.5768 37 C 3.3444 -2.2361 -0.7261 C.3 1 UNL1 0.3225 38 C -0.0233 -1.1040 2.8505 C.3 2 UNL2 0.5073 39 C 2.2190 -2.2633 3.3358 C.1 2 UNL2 0.4821 40 C -5.6526 -2.9561 -0.8519 C.2 1 UNL1 -0.0977 41 C -6.2576 -1.8342 -0.8499 C.2 1 UNL1 0.0785 @BOND 1 8 29 2 2 29 35 2 3 21 35 1 4 21 14 1 5 35 2 1 6 3 16 1 7 3 37 1 8 14 16 ar 9 14 15 ar 10 40 41 2 11 40 33 1 12 41 34 1 13 11 34 2 14 2 15 1 15 16 17 ar 16 37 36 1 17 37 31 1 18 15 18 ar 19 36 30 3 20 30 9 1 21 34 26 1 22 31 10 2 23 31 4 1 24 17 4 1 25 17 19 ar 26 18 19 ar 27 18 12 ar 28 33 25 1 29 19 20 ar 30 13 28 3 31 28 12 1 32 12 22 ar 33 26 25 2 34 26 24 1 35 25 23 1 36 20 22 ar 37 20 23 1 38 22 24 1 39 23 5 2 40 24 6 2 41 1 27 2 42 27 7 2 43 38 32 1 44 32 39 3