@MOLECULE (1r,2r,3r,4s)-1,2,3-triacetoxy-11-diazonio-4,10-dihydroxy-2-methyl-9-oxo-2,3,4,9-tetrahydro-1h-benzo[b]fluoren-5-olate 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.5740 -0.5808 1.2635 O.3 1 UNL1 -0.4626 2 O -2.7572 1.5940 -1.5697 O.3 1 UNL1 -0.4683 3 O -2.3696 -2.3385 -0.8038 O.3 1 UNL1 -0.4820 4 O -1.1386 1.9103 1.5929 O.3 1 UNL1 -0.5528 5 O 3.4868 -2.0639 -0.9475 O.2 1 UNL1 -0.5373 6 O 1.7036 2.5478 1.1678 O.2 1 UNL1 -0.4461 7 O -3.9666 0.7888 2.3883 O.2 1 UNL1 -0.5152 8 O -3.0556 3.8038 -1.2625 O.2 1 UNL1 -0.4783 9 O -1.0272 -2.8443 0.9390 O.2 1 UNL1 -0.4822 10 O 5.9653 -1.2997 -0.5447 O.3 1 UNL1 -0.4666 11 N 0.6453 -2.6767 -1.3419 N.pl3 1 UNL1 0.3859 12 N 0.7216 -3.7358 -1.7087 N.3 1 UNL1 -0.0118 13 C -2.9559 -0.1259 -0.0213 C.3 1 UNL1 0.2527 14 C -2.5985 1.3758 -0.1684 C.3 1 UNL1 0.0498 15 C -2.0264 -0.9757 -0.9508 C.3 1 UNL1 0.1125 16 C -1.1294 1.6971 0.1935 C.3 1 UNL1 0.1328 17 C -0.6105 -0.6388 -0.6799 C.2 1 UNL1 -0.0081 18 C -0.2088 0.5822 -0.1523 C.2 1 UNL1 -0.0669 19 C 1.2130 0.5701 -0.0057 C.3 1 UNL1 -0.1227 20 C -4.4224 -0.3965 -0.2947 C.3 1 UNL1 -0.4955 21 C 0.5731 -1.4313 -0.9116 C.2 1 UNL1 -0.1538 22 C 1.6978 -0.6423 -0.4816 C.2 1 UNL1 -0.1194 23 C 2.1036 1.5634 0.5856 C.2 1 UNL1 0.4764 24 C 3.1079 -0.9818 -0.5172 C.2 1 UNL1 0.5183 25 C 3.5700 1.2794 0.4729 C.ar 1 UNL1 -0.0235 26 C 4.0339 0.0473 -0.0384 C.ar 1 UNL1 -0.3209 27 C -3.0179 0.0521 2.3902 C.2 1 UNL1 0.6723 28 C -2.9860 2.8647 -2.0054 C.2 1 UNL1 0.6344 29 C -2.0543 -3.0181 0.3459 C.2 1 UNL1 0.6538 30 C 4.4610 2.2465 0.8943 C.ar 1 UNL1 -0.1817 31 C 5.4177 -0.1670 -0.0895 C.ar 1 UNL1 0.3765 32 C -2.1645 -0.3764 3.5295 C.3 1 UNL1 -0.5075 33 C -3.1055 2.8444 -3.4903 C.3 1 UNL1 -0.5114 34 C -3.1013 -4.0431 0.6082 C.3 1 UNL1 -0.5158 35 C 5.8497 2.0140 0.8216 C.ar 1 UNL1 -0.0566 36 C 6.3365 0.8197 0.3393 C.ar 1 UNL1 -0.2496 37 H -3.2940 2.0235 0.4196 H 1 UNL1 0.1957 38 H -2.2989 -0.7996 -2.0256 H 1 UNL1 0.1758 39 H -0.8178 2.6520 -0.3029 H 1 UNL1 0.1540 40 H -4.6527 -1.4667 -0.2205 H 1 UNL1 0.1623 41 H -5.0673 0.1278 0.4289 H 1 UNL1 0.1861 42 H -4.7127 -0.0592 -1.2971 H 1 UNL1 0.1633 43 H -0.2447 2.2355 1.8660 H 1 UNL1 0.3462 44 H 4.0921 3.1954 1.2913 H 1 UNL1 0.1810 45 H 5.2449 -1.9615 -0.8332 H 1 UNL1 0.3812 46 H -1.3976 0.4005 3.7153 H 1 UNL1 0.2027 47 H -1.6145 -1.3096 3.3185 H 1 UNL1 0.1922 48 H -2.7518 -0.5051 4.4480 H 1 UNL1 0.1789 49 H -3.5438 1.9072 -3.8650 H 1 UNL1 0.1828 50 H -2.1142 2.9488 -3.9608 H 1 UNL1 0.1865 51 H -3.7294 3.6804 -3.8430 H 1 UNL1 0.1829 52 H -3.7050 -4.2706 -0.2841 H 1 UNL1 0.1858 53 H -3.7952 -3.6843 1.3877 H 1 UNL1 0.1921 54 H -2.6547 -4.9818 0.9708 H 1 UNL1 0.1858 55 H 6.5363 2.7936 1.1564 H 1 UNL1 0.1553 56 H 7.4024 0.6087 0.2766 H 1 UNL1 0.1804 @BOND 1 50 33 1 2 49 33 1 3 51 33 1 4 33 28 1 5 38 15 1 6 28 2 1 7 28 8 2 8 12 11 1 9 2 14 1 10 11 21 1 11 42 20 1 12 15 3 1 13 15 17 1 14 15 13 1 15 5 24 2 16 21 17 1 17 21 22 2 18 45 10 1 19 3 29 1 20 17 18 2 21 10 31 1 22 24 22 1 23 24 26 1 24 22 19 1 25 39 16 1 26 20 40 1 27 20 13 1 28 20 41 1 29 52 34 1 30 14 13 1 31 14 16 1 32 14 37 1 33 18 19 1 34 18 16 1 35 31 26 ar 36 31 36 ar 37 26 25 ar 38 13 1 1 39 19 23 1 40 16 4 1 41 56 36 1 42 36 35 ar 43 29 34 1 44 29 9 2 45 25 23 1 46 25 30 ar 47 23 6 2 48 34 54 1 49 34 53 1 50 35 30 ar 51 35 55 1 52 30 44 1 53 1 27 1 54 4 43 1 55 7 27 2 56 27 32 1 57 47 32 1 58 32 46 1 59 32 48 1