@MOLECULE n-acetyl-s-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydro-6h-benzo[b]fluoren-2-yl)methyl]cysteine 62 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.8994 -1.1364 -0.7824 S.3 1 UNK1 0.0232 2 O 6.4866 2.3965 -1.0714 O.3 1 UNK1 -0.3781 3 O 3.7464 3.0706 0.7228 O.3 1 UNK1 -0.4735 4 O 3.8578 -2.3048 -0.3742 O.3 1 UNK1 -0.4072 5 O 1.3090 -3.1126 -0.4857 O.3 1 UNK1 -0.3666 6 O 6.3540 -2.1739 -0.2434 O.2 1 UNK1 -0.4264 7 O -5.6092 2.3300 0.3609 O.3 1 UNK1 -0.5612 8 O -5.3205 0.6947 1.8520 O.2 1 UNK1 -0.5016 9 O -9.8402 0.7719 -0.2641 O.2 0 UNK0 -0.5074 10 N -7.7303 0.0945 -0.0890 N.am 1 UNK1 -0.6396 11 C 2.5123 1.0111 0.4360 C.ar 1 UNK1 -0.0416 12 C 4.9256 1.0986 0.2235 C.ar 1 UNK1 -0.0130 13 C 2.5199 -0.3728 0.1435 C.ar 1 UNK1 -0.1480 14 C 6.1795 1.9370 0.2388 C.3 1 UNK1 0.1093 15 C 1.1138 1.4922 0.6976 C.3 1 UNK1 -0.2829 16 C 4.9577 -0.2714 -0.0300 C.ar 1 UNK1 -0.2162 17 C 1.1458 -0.8596 0.2030 C.ar 1 UNK1 -0.0858 18 C 0.3035 0.2288 0.5624 C.ar 1 UNK1 0.0549 19 C 3.6940 1.7284 0.4657 C.ar 1 UNK1 0.1371 20 C 7.4090 1.0950 0.6112 C.3 1 UNK1 -0.2802 21 C 3.7474 -1.0016 -0.0912 C.ar 1 UNK1 0.3101 22 C 7.4936 -0.1145 -0.3134 C.3 1 UNK1 -0.3682 23 C 6.2544 -0.9731 -0.2019 C.2 1 UNK1 0.4930 24 C 0.5379 -2.0972 0.0105 C.ar 1 UNK1 0.2365 25 C -1.0530 0.0847 0.7662 C.ar 1 UNK1 -0.2291 26 C -1.6246 -1.1864 0.6039 C.ar 1 UNK1 0.0682 27 C -0.8356 -2.2687 0.2228 C.ar 1 UNK1 -0.2762 28 C -3.0794 -1.3795 0.8463 C.3 1 UNK1 -0.3517 29 C 5.5634 3.3332 -1.5925 C.3 1 UNK1 -0.1971 30 C 1.0688 -4.4082 0.0581 C.3 1 UNK1 -0.1842 31 C -5.6745 -1.2087 -0.3424 C.3 1 UNK1 -0.3734 32 C -6.3033 0.1897 -0.3554 C.3 1 UNK1 0.0514 33 C -5.6824 1.0388 0.7609 C.2 1 UNK1 0.6082 34 C -8.6950 0.9570 -0.6152 C.2 0 UNK0 0.6199 35 C -8.2732 2.0310 -1.5657 C.3 0 UNK0 -0.5301 36 H 2.8714 3.4103 1.0237 H 1 UNK1 0.3210 37 H 2.9558 -2.7336 -0.4458 H 1 UNK1 0.3430 38 H -5.2431 2.9451 1.0446 H 1 UNK1 0.3596 39 H -8.0301 -0.5935 0.5949 H 1 UNK1 0.3277 40 H 6.0713 2.8153 0.9180 H 1 UNK1 0.1399 41 H 0.7908 2.2559 -0.0383 H 1 UNK1 0.1737 42 H 1.0029 1.9422 1.7031 H 1 UNK1 0.1696 43 H 7.3461 0.7825 1.6703 H 1 UNK1 0.1503 44 H 8.3238 1.7130 0.5201 H 1 UNK1 0.1554 45 H 8.3955 -0.7205 -0.0974 H 1 UNK1 0.1668 46 H 7.6007 0.2168 -1.3710 H 1 UNK1 0.1848 47 H -1.6690 0.9337 1.0488 H 1 UNK1 0.1667 48 H -1.2878 -3.2456 0.0689 H 1 UNK1 0.1721 49 H -3.3062 -2.3874 1.2427 H 1 UNK1 0.1688 50 H -3.4744 -0.6641 1.5991 H 1 UNK1 0.1904 51 H 6.0511 3.6697 -2.5147 H 1 UNK1 0.1383 52 H 5.4100 4.1719 -0.9072 H 1 UNK1 0.1256 53 H 4.6088 2.8453 -1.8168 H 1 UNK1 0.1315 54 H 1.9512 -4.9738 -0.2761 H 1 UNK1 0.1602 55 H 0.1577 -4.8283 -0.3788 H 1 UNK1 0.1357 56 H 1.0148 -4.3811 1.1501 H 1 UNK1 0.1391 57 H -5.8183 -1.7033 0.6373 H 1 UNK1 0.1774 58 H -6.1788 -1.8566 -1.0896 H 1 UNK1 0.1852 59 H -6.1252 0.6940 -1.3490 H 1 UNK1 0.1872 60 H -9.1293 2.6901 -1.7929 H 0 UNK0 0.1904 61 H -7.9222 1.6221 -2.5229 H 0 UNK0 0.1772 62 H -7.4773 2.6698 -1.1502 H 0 UNK0 0.1900 @BOND 1 61 35 1 2 51 29 1 3 53 29 1 4 60 35 1 5 29 2 1 6 29 52 1 7 35 62 1 8 35 34 1 9 46 22 1 10 59 32 1 11 58 31 1 12 2 14 1 13 1 31 1 14 1 28 1 15 34 9 2 16 34 10 am 17 5 24 1 18 5 30 1 19 37 4 1 20 55 30 1 21 4 21 1 22 32 31 1 23 32 10 1 24 32 33 1 25 31 57 1 26 22 23 1 27 22 45 1 28 22 20 1 29 54 30 1 30 6 23 2 31 23 16 1 32 21 16 ar 33 21 13 ar 34 10 39 1 35 41 15 1 36 16 12 ar 37 24 17 ar 38 24 27 ar 39 30 56 1 40 48 27 1 41 13 17 1 42 13 11 ar 43 17 18 ar 44 27 26 ar 45 12 14 1 46 12 19 ar 47 14 20 1 48 14 40 1 49 7 33 1 50 7 38 1 51 11 19 ar 52 11 15 1 53 19 3 1 54 44 20 1 55 18 15 1 56 18 25 ar 57 26 25 ar 58 26 28 1 59 20 43 1 60 15 42 1 61 3 36 1 62 33 8 2 63 25 47 1 64 28 49 1 65 28 50 1