@MOLECULE nitrobenzo(e)pyrene 34 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9404 -0.8102 0.8761 O.2 1 UNL1111111111 -0.3965 2 O -3.7132 -0.5986 -1.2610 O.2 1 UNL1111111111 -0.3718 3 N -3.2755 -0.8297 -0.1484 N.pl3 1 UNL1111111111 0.6111 4 C 0.5099 -0.9834 0.0508 C.ar 1 UNL1111111111 -0.0246 5 C 1.7084 -0.1882 0.0092 C.ar 1 UNL1111111111 -0.0101 6 C -0.7811 -0.3668 0.0428 C.ar 1 UNL1111111111 0.0464 7 C 1.6342 1.2214 -0.0727 C.ar 1 UNL1111111111 -0.0155 8 C -0.8527 1.0946 0.0959 C.ar 1 UNL1111111111 -0.0321 9 C 0.3267 1.8619 -0.0286 C.ar 1 UNL1111111111 0.0123 10 C 0.6393 -2.3886 0.0815 C.ar 1 UNL1111111111 0.0320 11 C 2.9744 -0.8140 0.0236 C.ar 1 UNL1111111111 -0.0090 12 C -1.8713 -1.2353 -0.0340 C.ar 1 UNL1111111111 -0.0550 13 C 1.9402 -3.0021 0.1302 C.ar 1 UNL1111111111 -0.1663 14 C 3.0630 -2.2469 0.1050 C.ar 1 UNL1111111111 -0.1288 15 C 2.8139 1.9590 -0.1581 C.ar 1 UNL1111111111 -0.1417 16 C -0.5005 -3.2103 0.0543 C.ar 1 UNL1111111111 -0.1525 17 C 4.1465 -0.0436 -0.0488 C.ar 1 UNL1111111111 -0.1451 18 C -2.0598 1.7912 0.2909 C.ar 1 UNL1111111111 -0.1263 19 C 0.2508 3.2651 -0.0665 C.ar 1 UNL1111111111 -0.1580 20 C -1.7478 -2.6357 -0.0222 C.ar 1 UNL1111111111 -0.1177 21 C 4.0630 1.3337 -0.1439 C.ar 1 UNL1111111111 -0.1381 22 C -2.1198 3.1773 0.2608 C.ar 1 UNL1111111111 -0.1418 23 C -0.9590 3.9250 0.0651 C.ar 1 UNL1111111111 -0.1229 24 H 1.9899 -4.0850 0.1883 H 1 UNL1111111111 0.1594 25 H 4.0571 -2.6983 0.1397 H 1 UNL1111111111 0.1581 26 H 2.7823 3.0470 -0.2326 H 1 UNL1111111111 0.1582 27 H -0.3894 -4.2935 0.0859 H 1 UNL1111111111 0.1640 28 H 5.1171 -0.5373 -0.0332 H 1 UNL1111111111 0.1549 29 H -2.9951 1.2772 0.4985 H 1 UNL1111111111 0.1673 30 H 1.1575 3.8572 -0.1956 H 1 UNL1111111111 0.1531 31 H -2.6419 -3.2651 -0.0714 H 1 UNL1111111111 0.1743 32 H 4.9681 1.9375 -0.2068 H 1 UNL1111111111 0.1548 33 H -3.0768 3.6811 0.3986 H 1 UNL1111111111 0.1570 34 H -1.0033 5.0120 0.0305 H 1 UNL1111111111 0.1509 @BOND 1 1 3 2 2 2 3 2 3 3 12 1 4 4 5 ar 5 4 6 ar 6 4 10 ar 7 5 7 ar 8 5 11 ar 9 6 8 ar 10 6 12 ar 11 7 9 ar 12 7 15 ar 13 8 9 ar 14 8 18 ar 15 9 19 ar 16 10 13 ar 17 10 16 ar 18 11 14 ar 19 11 17 ar 20 12 20 ar 21 13 14 ar 22 13 24 1 23 14 25 1 24 15 21 ar 25 15 26 1 26 16 20 ar 27 16 27 1 28 17 21 ar 29 17 28 1 30 18 22 ar 31 18 29 1 32 19 23 ar 33 19 30 1 34 20 31 1 35 21 32 1 36 22 23 ar 37 22 33 1 38 23 34 1