@MOLECULE nitromethaqualone 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8128 0.5154 2.0520 O.3 1 UNL1 -0.3427 2 O 0.9058 -1.9387 -0.1679 O.2 1 UNL1 -0.4813 3 O -5.5101 -0.3249 -1.4288 O.2 1 UNL1 -0.3929 4 O -5.5406 -0.3205 0.7236 O.2 1 UNL1 -0.3905 5 N 0.6752 0.3104 -0.2957 N.ar 1 UNL1 -0.5063 6 N 2.5465 1.7673 -0.1895 N.ar 1 UNL1 -0.4935 7 N -4.9539 -0.2716 -0.3443 N.pl3 1 UNL1 0.6207 8 C -0.7456 0.1550 -0.3111 C.ar 1 UNL1 0.1526 9 C 1.2508 1.5917 -0.2174 C.ar 1 UNL1 0.4558 10 C 2.9115 -0.6448 -0.2262 C.ar 1 UNL1 -0.2600 11 C 1.4720 -0.8722 -0.2253 C.ar 1 UNL1 0.5931 12 C 3.4068 0.6736 -0.2054 C.ar 1 UNL1 0.2425 13 C -1.4717 0.2038 0.8941 C.ar 1 UNL1 0.1643 14 C -1.4128 -0.0549 -1.5211 C.ar 1 UNL1 -0.1541 15 C 3.7982 -1.7317 -0.2354 C.ar 1 UNL1 -0.0400 16 C 0.3399 2.7715 -0.1766 C.3 1 UNL1 -0.4635 17 C -2.8563 0.0592 0.8974 C.ar 1 UNL1 -0.1498 18 C 4.7987 0.9001 -0.1943 C.ar 1 UNL1 -0.1939 19 C -3.5013 -0.1340 -0.3249 C.ar 1 UNL1 -0.0505 20 C -2.7968 -0.1999 -1.5295 C.ar 1 UNL1 -0.1012 21 C 5.1613 -1.4984 -0.2266 C.ar 1 UNL1 -0.2057 22 C 5.6572 -0.1835 -0.2053 C.ar 1 UNL1 -0.0729 23 C -0.4663 -0.6423 2.8160 C.3 1 UNL1 -0.1895 24 H -0.8455 -0.1164 -2.4526 H 1 UNL1 0.1843 25 H 3.3955 -2.7485 -0.2499 H 1 UNL1 0.1745 26 H -3.4150 0.1020 1.8382 H 1 UNL1 0.2042 27 H -0.2730 2.7694 0.7430 H 1 UNL1 0.1905 28 H -0.3409 2.8047 -1.0402 H 1 UNL1 0.1785 29 H 0.9152 3.7167 -0.1754 H 1 UNL1 0.1978 30 H 5.1663 1.9259 -0.1770 H 1 UNL1 0.1802 31 H -3.3297 -0.3667 -2.4729 H 1 UNL1 0.1947 32 H 5.8601 -2.3326 -0.2360 H 1 UNL1 0.1610 33 H 6.7365 -0.0215 -0.1979 H 1 UNL1 0.1534 34 H -1.3696 -1.1153 3.2132 H 1 UNL1 0.1375 35 H 0.1448 -0.2161 3.6216 H 1 UNL1 0.1548 36 H 0.1181 -1.3506 2.2169 H 1 UNL1 0.1477 @BOND 1 31 20 1 2 24 14 1 3 20 14 ar 4 20 19 ar 5 14 8 ar 6 3 7 2 7 28 16 1 8 7 19 1 9 7 4 2 10 19 17 ar 11 8 5 1 12 8 13 ar 13 5 11 ar 14 5 9 ar 15 25 15 1 16 32 21 1 17 15 21 ar 18 15 10 ar 19 21 22 ar 20 10 11 ar 21 10 12 ar 22 11 2 2 23 9 6 ar 24 9 16 1 25 12 18 ar 26 12 6 ar 27 22 33 1 28 22 18 ar 29 18 30 1 30 16 29 1 31 16 27 1 32 13 17 ar 33 13 1 1 34 17 26 1 35 1 23 1 36 36 23 1 37 23 34 1 38 23 35 1