@MOLECULE 3-nitro-1-pyrenol 29 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7323 -3.3655 0.0559 O.3 1 UNL1111 -0.4433 2 O -4.2555 0.7730 -0.6349 O.2 1 UNL1111 -0.3847 3 O -3.2178 2.1257 0.6761 O.2 1 UNL1111 -0.3943 4 N -3.2776 1.1038 0.0138 N.pl3 1 UNL1111 0.6184 5 C 0.2495 -0.2557 0.0002 C.ar 1 UNL1111 0.0351 6 C 1.6119 0.1968 -0.0147 C.ar 1 UNL1111 -0.0246 7 C -0.8099 0.6910 -0.0122 C.ar 1 UNL1111 -0.0248 8 C -0.0134 -1.6452 0.0289 C.ar 1 UNL1111 -0.1137 9 C 1.9010 1.5809 -0.0482 C.ar 1 UNL1111 0.0048 10 C 2.6748 -0.7365 0.0041 C.ar 1 UNL1111 -0.0044 11 C -2.1258 0.2019 0.0072 C.ar 1 UNL1111 -0.0080 12 C -0.4800 2.0929 -0.0591 C.ar 1 UNL1111 -0.1315 13 C 1.0827 -2.5752 0.0470 C.ar 1 UNL1111 -0.1509 14 C 0.8061 2.5165 -0.0741 C.ar 1 UNL1111 -0.1459 15 C -1.3539 -2.0665 0.0351 C.ar 1 UNL1111 0.2697 16 C 2.3671 -2.1440 0.0347 C.ar 1 UNL1111 -0.1294 17 C -2.4142 -1.1589 0.0199 C.ar 1 UNL1111 -0.2007 18 C 3.2318 2.0105 -0.0589 C.ar 1 UNL1111 -0.1526 19 C 3.9975 -0.2811 -0.0074 C.ar 1 UNL1111 -0.1540 20 C 4.2698 1.0833 -0.0381 C.ar 1 UNL1111 -0.1329 21 H -1.2965 2.8216 -0.0774 H 1 UNL1111 0.1860 22 H 0.8588 -3.6417 0.0707 H 1 UNL1111 0.1461 23 H 1.0489 3.5793 -0.1064 H 1 UNL1111 0.1630 24 H 3.2021 -2.8453 0.0467 H 1 UNL1111 0.1612 25 H -3.4448 -1.5288 0.0119 H 1 UNL1111 0.2072 26 H 3.4559 3.0764 -0.0836 H 1 UNL1111 0.1601 27 H 4.8167 -0.9985 0.0083 H 1 UNL1111 0.1577 28 H 5.3038 1.4285 -0.0460 H 1 UNL1111 0.1566 29 H -0.9606 -3.9884 0.0597 H 1 UNL1111 0.3298 @BOND 1 1 15 1 2 1 29 1 3 2 4 2 4 3 4 2 5 4 11 1 6 5 6 ar 7 5 7 ar 8 5 8 ar 9 6 9 ar 10 6 10 ar 11 7 11 ar 12 7 12 ar 13 8 13 ar 14 8 15 ar 15 9 14 ar 16 9 18 ar 17 10 16 ar 18 10 19 ar 19 11 17 ar 20 12 14 ar 21 12 21 1 22 13 16 ar 23 13 22 1 24 14 23 1 25 15 17 ar 26 16 24 1 27 17 25 1 28 18 20 ar 29 18 26 1 30 19 20 ar 31 19 27 1 32 20 28 1