@MOLECULE 2-methyl-2-propanyl [4-({1-[(3as,7as)-3a,7a-dihydro-1h-indol-3-yl]-3,4-dioxo-3,4-dihydro-2-naphthalenyl}methyl)phenoxy]acetate 37 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -10.7716 -0.4113 -0.2000 C.2 1 UNL1 0.5032 2 C -8.8118 1.3549 0.0809 C.3 1 UNL1 -0.0427 3 C -9.9560 2.1583 0.0842 C.3 1 UNL1 0.3785 4 C -10.0311 0.6550 -0.0549 C.2 1 UNL1 -0.7855 5 O -7.5112 1.1966 0.1568 O.3 1 UNL1 -0.2092 6 C -7.0281 -0.1114 0.0160 C.2 1 UNL1 0.5223 7 C -5.6280 -0.0877 0.1794 C.3 1 UNL1 -0.0307 8 O -4.6676 -0.9426 0.0873 O.3 1 UNL1 -0.0350 9 C -3.4149 -0.3780 0.0402 C.3 1 UNL1 0.1594 10 C -2.9792 0.9315 0.0252 C.2 1 UNL1 -0.0591 11 C -1.7435 1.3236 -0.0012 C.2 1 UNL1 0.0323 12 C -0.6019 0.5539 -0.0180 C.3 1 UNL1 -0.0492 13 C -0.9682 -0.8679 -0.0110 C.2 1 UNL1 0.0930 14 C -2.2933 -1.1888 0.0193 C.2 1 UNL1 -0.0277 15 C 0.7558 0.7527 -0.0320 C.2 1 UNL1 0.0694 16 C 1.7435 -0.1776 -0.0318 C.2 1 UNL1 -0.0738 17 C 3.1642 0.0970 -0.0251 C.2 1 UNL1 0.0946 18 C 4.1110 -1.0040 0.0057 C.3 1 UNL1 0.0081 19 C 5.5332 -0.7463 0.0350 C.2 1 UNL1 -0.0020 20 C 6.3326 -1.8801 0.0701 C.2 1 UNL1 0.0555 21 C 5.8481 -3.0929 0.0731 C.2 1 UNL1 -0.0437 22 C 4.5482 -3.3441 0.0417 C.2 1 UNL1 0.1097 23 C 3.6060 -2.3541 0.0057 C.2 1 UNL1 -0.1570 24 C 2.1661 -2.6770 -0.0333 C.2 1 UNL1 0.4372 25 C 1.2767 -1.5098 -0.0316 C.3 1 UNL1 -0.0258 26 O -0.0352 -1.8768 -0.0306 O.2 1 UNL1 -0.0829 27 O 1.7563 -3.8127 -0.0636 O.2 1 UNL1 -0.3351 28 C 3.6436 1.3756 -0.0410 C.2 1 UNL1 -0.0801 29 C 3.1687 2.7487 -0.0765 C.2 1 UNL1 0.2364 30 N 4.0211 3.7137 -0.0784 N.2 1 UNL1 -0.3116 31 C 5.3034 3.0600 -0.0380 C.2 1 UNL1 0.0742 32 C 6.6187 3.3857 -0.0153 C.2 1 UNL1 0.0770 33 C 7.5391 2.4184 0.0243 C.2 1 UNL1 -0.0426 34 C 7.3265 1.1337 0.0435 C.2 1 UNL1 0.0318 35 C 6.0322 0.5930 0.0240 C.2 1 UNL1 0.0280 36 C 5.0721 1.6031 -0.0172 C.3 1 UNL1 -0.1142 37 O -7.7481 -1.0542 -0.1874 O.2 1 UNL1 -0.4028 @BOND 1 1 4 2 2 37 6 2 3 30 29 2 4 30 31 1 5 29 28 1 6 27 24 2 7 4 2 1 8 4 3 1 9 28 17 2 10 28 36 1 11 31 36 1 12 31 32 2 13 24 25 1 14 24 23 1 15 15 16 2 16 15 12 1 17 16 25 1 18 16 17 1 19 25 26 1 20 26 13 1 21 17 18 1 22 12 13 1 23 12 11 1 24 36 35 1 25 32 33 1 26 13 14 2 27 11 10 2 28 23 18 1 29 23 22 2 30 18 19 1 31 6 5 1 32 6 7 1 33 14 9 1 34 35 19 2 35 35 34 1 36 33 34 2 37 10 9 1 38 19 20 1 39 9 8 1 40 22 21 1 41 20 21 2 42 2 3 1 43 2 5 1 44 8 7 1