@MOLECULE (1r,2r)-9-nitro-1,2-dihydro-1,2-anthracenediol 30 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.2432 -1.5857 -0.5180 O.3 1 UNL1 -0.5636 2 O 4.4383 0.1713 -0.1237 O.3 1 UNL1 -0.5456 3 O 0.3797 -2.5560 1.0925 O.2 1 UNL1 -0.4389 4 O -0.8478 -2.7808 -0.6576 O.2 1 UNL1 -0.3631 5 N -0.2808 -2.0949 0.1691 N.pl3 1 UNL1 0.6424 6 C 2.1203 -0.3917 0.2212 C.3 1 UNL1 0.0963 7 C 0.7111 0.1502 0.1522 C.ar 1 UNL1 0.0060 8 C 3.1278 0.5549 -0.4864 C.3 1 UNL1 0.1199 9 C 0.5532 1.5716 0.1735 C.ar 1 UNL1 -0.0219 10 C -0.4120 -0.6430 0.1021 C.ar 1 UNL1 -0.0683 11 C -1.7323 -0.0980 0.0152 C.ar 1 UNL1 0.0113 12 C -1.8614 1.3092 0.0196 C.ar 1 UNL1 -0.0129 13 C -0.7022 2.1249 0.1107 C.ar 1 UNL1 -0.1255 14 C 2.9535 1.9654 -0.0249 C.2 1 UNL1 -0.1354 15 C 1.7329 2.4293 0.2668 C.2 1 UNL1 -0.1844 16 C -2.9098 -0.8894 -0.0659 C.ar 1 UNL1 -0.1482 17 C -3.1522 1.8984 -0.0648 C.ar 1 UNL1 -0.1486 18 C -4.1457 -0.2987 -0.1504 C.ar 1 UNL1 -0.1240 19 C -4.2713 1.1110 -0.1512 C.ar 1 UNL1 -0.1366 20 H 2.2034 -2.3779 0.0669 H 1 UNL1 0.3465 21 H 4.5968 -0.7571 -0.4075 H 1 UNL1 0.3316 22 H 2.4136 -0.5576 1.2870 H 1 UNL1 0.1621 23 H 3.0254 0.4704 -1.5976 H 1 UNL1 0.1557 24 H -0.8303 3.2090 0.1251 H 1 UNL1 0.1639 25 H 3.8658 2.5549 0.0429 H 1 UNL1 0.1734 26 H 1.5656 3.4578 0.5840 H 1 UNL1 0.1616 27 H -2.8344 -1.9794 -0.0709 H 1 UNL1 0.1797 28 H -3.2335 2.9841 -0.0602 H 1 UNL1 0.1547 29 H -5.0470 -0.9083 -0.2194 H 1 UNL1 0.1583 30 H -5.2637 1.5538 -0.2206 H 1 UNL1 0.1538 @BOND 1 23 8 1 2 4 5 2 3 1 20 1 4 1 6 1 5 8 2 1 6 8 14 1 7 8 6 1 8 21 2 1 9 30 19 1 10 29 18 1 11 19 18 ar 12 19 17 ar 13 18 16 ar 14 27 16 1 15 16 11 ar 16 17 28 1 17 17 12 ar 18 14 25 1 19 14 15 2 20 11 12 ar 21 11 10 ar 22 12 13 ar 23 10 7 ar 24 10 5 1 25 13 24 1 26 13 9 ar 27 7 9 ar 28 7 6 1 29 5 3 2 30 9 15 1 31 6 22 1 32 15 26 1