@MOLECULE (7r,8s,8as,9ar)-3-nitro-7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol 39 44 0 0 0 SMALL USER_CHARGES @ATOM 1 O 3.9519 -1.7480 -0.7716 O.3 1 UNL111 -0.0998 2 O 4.6687 0.6250 -1.8184 O.3 1 UNL111 -0.4433 3 O 4.1507 1.5991 1.6153 O.3 1 UNL111 -0.2826 4 O -6.1591 0.3552 0.3290 O.2 1 UNL111 -0.1382 5 O -5.0417 1.7953 -0.8074 O.2 1 UNL111 -0.2325 6 N -5.1247 0.7478 -0.1879 N.pl3 1 UNL111 -0.0471 7 C 4.6918 -0.8743 0.0877 C.3 1 UNL111 -0.4878 8 C 3.3227 -1.3448 0.4541 C.3 1 UNL111 -0.0697 9 C 4.8496 0.5437 -0.4289 C.3 1 UNL111 0.0749 10 C 2.1747 -0.4233 0.2952 C.ar 1 UNL111 0.2231 11 C 3.8185 1.4950 0.2418 C.3 1 UNL111 -0.3780 12 C 2.4138 0.9519 0.2204 C.ar 1 UNL111 0.0878 13 C 0.8652 -0.9199 0.2259 C.ar 1 UNL111 -0.2714 14 C -0.2171 -0.0116 0.1354 C.ar 1 UNL111 0.0558 15 C 1.3512 1.8475 0.1353 C.ar 1 UNL111 -0.4809 16 C 0.0355 1.3787 0.1020 C.ar 1 UNL111 0.3007 17 C -1.5677 -0.4924 0.0774 C.ar 1 UNL111 -0.0910 18 C 0.5793 -2.3337 0.2316 C.ar 1 UNL111 0.0078 19 C -1.8106 -1.8858 0.1067 C.ar 1 UNL111 0.3323 20 C -2.6495 0.4234 -0.0115 C.ar 1 UNL111 -0.1206 21 C -1.0799 2.2878 0.0330 C.ar 1 UNL111 -0.3884 22 C -0.6934 -2.7926 0.1781 C.ar 1 UNL111 -0.4026 23 C -2.3549 1.8344 -0.0168 C.ar 1 UNL111 -0.1566 24 C -3.9493 -0.1040 -0.0710 C.ar 1 UNL111 0.4104 25 C -3.1253 -2.3670 0.0632 C.ar 1 UNL111 -0.3590 26 C -4.1880 -1.4821 -0.0208 C.ar 1 UNL111 -0.3545 27 H 5.5788 -1.3236 0.5384 H 1 UNL111 0.2903 28 H 3.1991 -2.1475 1.1901 H 1 UNL111 0.2209 29 H 5.8858 0.9251 -0.2785 H 1 UNL111 0.2020 30 H 3.8742 2.4972 -0.2434 H 1 UNL111 0.2309 31 H 1.5429 2.9209 0.0999 H 1 UNL111 0.2674 32 H 3.9954 -0.0334 -2.1187 H 1 UNL111 0.3524 33 H 1.4211 -3.0283 0.2654 H 1 UNL111 0.1641 34 H 4.8827 2.2341 1.7467 H 1 UNL111 0.2790 35 H -0.8621 3.3575 0.0247 H 1 UNL111 0.2313 36 H -0.9083 -3.8621 0.1809 H 1 UNL111 0.2474 37 H -3.1869 2.5440 -0.0673 H 1 UNL111 0.2534 38 H -3.3114 -3.4404 0.0957 H 1 UNL111 0.2708 39 H -5.2170 -1.8589 -0.0488 H 1 UNL111 0.3016 @BOND 1 32 2 1 2 2 9 1 3 5 6 2 4 1 7 1 5 1 8 1 6 9 29 1 7 9 7 1 8 9 11 1 9 30 11 1 10 6 24 1 11 6 4 2 12 24 26 ar 13 24 20 ar 14 37 23 1 15 39 26 1 16 26 25 ar 17 23 20 ar 18 23 21 ar 19 20 17 ar 20 35 21 1 21 21 16 ar 22 25 38 1 23 25 19 ar 24 17 19 ar 25 17 14 ar 26 7 8 1 27 7 27 1 28 31 15 1 29 16 15 ar 30 16 14 ar 31 19 22 ar 32 15 12 ar 33 14 13 ar 34 22 36 1 35 22 18 ar 36 12 11 1 37 12 10 ar 38 13 18 ar 39 13 10 ar 40 18 33 1 41 11 3 1 42 10 8 1 43 8 28 1 44 3 34 1