@MOLECULE (9s,10s)-9,10-dihydrobenzo[e]acephenanthrylene-6,9,10-triol 37 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6622 -2.7125 0.2679 O.3 1 UNL1111111111 -0.5496 2 O 5.3586 -1.6249 0.0495 O.3 1 UNL1111111111 -0.5544 3 O -4.9943 -2.7458 -0.0035 O.3 1 UNL1111111111 -0.4742 4 C -0.4149 1.0184 -0.0441 C.ar 1 UNL1111111111 -0.0463 5 C -0.5983 -0.4009 -0.0933 C.ar 1 UNL1111111111 -0.0457 6 C 1.7835 -0.5813 -0.1949 C.ar 1 UNL1111111111 -0.0384 7 C 0.8210 1.6527 -0.0653 C.ar 1 UNL1111111111 -0.0070 8 C 1.9614 0.7941 -0.1427 C.ar 1 UNL1111111111 -0.0218 9 C -1.6734 1.7034 0.0356 C.ar 1 UNL1111111111 0.0052 10 C 2.9925 -1.4705 -0.3235 C.3 1 UNL1111111111 0.0985 11 C -2.0497 -0.6196 -0.0417 C.ar 1 UNL1111111111 0.0729 12 C 0.5040 -1.2037 -0.1723 C.ar 1 UNL1111111111 -0.0902 13 C -2.7005 0.6579 0.0346 C.ar 1 UNL1111111111 -0.1035 14 C 4.2208 -0.8700 0.4001 C.3 1 UNL1111111111 0.0906 15 C 3.3104 1.3511 -0.1558 C.2 1 UNL1111111111 -0.1360 16 C 0.7864 3.0762 0.0014 C.ar 1 UNL1111111111 -0.1471 17 C 4.3813 0.5827 0.0849 C.2 1 UNL1111111111 -0.2146 18 C -1.6709 3.0679 0.0952 C.ar 1 UNL1111111111 -0.1407 19 C -2.7798 -1.7881 -0.0563 C.ar 1 UNL1111111111 -0.2970 20 C -4.0781 0.7465 0.0937 C.ar 1 UNL1111111111 -0.0645 21 C -0.4149 3.7422 0.0769 C.ar 1 UNL1111111111 -0.1415 22 C -4.1789 -1.6593 0.0054 C.ar 1 UNL1111111111 0.3024 23 C -4.8343 -0.4296 0.0788 C.ar 1 UNL1111111111 -0.2600 24 H 3.2160 -1.6663 -1.4009 H 1 UNL1111111111 0.1377 25 H 0.4356 -2.2924 -0.2069 H 1 UNL1111111111 0.1846 26 H 4.1535 -1.0404 1.5064 H 1 UNL1111111111 0.1753 27 H 3.4032 2.4168 -0.3649 H 1 UNL1111111111 0.1595 28 H 1.7228 3.6290 -0.0051 H 1 UNL1111111111 0.1516 29 H 5.3995 0.9602 0.0998 H 1 UNL1111111111 0.1649 30 H -2.5883 3.6456 0.1570 H 1 UNL1111111111 0.1570 31 H -2.3006 -2.7583 -0.1111 H 1 UNL1111111111 0.1701 32 H -4.5725 1.7147 0.1517 H 1 UNL1111111111 0.1562 33 H -0.4266 4.8312 0.1272 H 1 UNL1111111111 0.1511 34 H -5.9197 -0.3993 0.1239 H 1 UNL1111111111 0.1756 35 H 3.4835 -3.2278 0.4320 H 1 UNL1111111111 0.3321 36 H 5.6431 -1.4428 -0.8684 H 1 UNL1111111111 0.3187 37 H -4.4900 -3.5933 -0.0495 H 1 UNL1111111111 0.3285 @BOND 1 1 10 1 2 1 35 1 3 2 14 1 4 2 36 1 5 3 22 1 6 3 37 1 7 4 5 ar 8 4 7 ar 9 4 9 ar 10 5 11 1 11 5 12 ar 12 6 8 ar 13 6 10 1 14 6 12 ar 15 7 8 ar 16 7 16 ar 17 8 15 1 18 9 13 1 19 9 18 ar 20 10 14 1 21 10 24 1 22 11 13 ar 23 11 19 ar 24 12 25 1 25 13 20 ar 26 14 17 1 27 14 26 1 28 15 17 2 29 15 27 1 30 16 21 ar 31 16 28 1 32 17 29 1 33 18 21 ar 34 18 30 1 35 19 22 ar 36 19 31 1 37 20 23 ar 38 20 32 1 39 21 33 1 40 22 23 ar 41 23 34 1