@MOLECULE nitroclofene 23 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -4.6895 -2.5511 0.2210 Cl 1 UNL1 0.0649 2 CL 3.9373 -0.1794 -3.3227 Cl 1 UNL1 0.1738 3 O 1.6463 0.1680 2.3827 O.2 1 UNL1 -0.2972 4 O -1.5391 -2.6959 0.1636 O.2 1 UNL1 -0.3348 5 O 5.7877 0.3355 1.3236 O.2 1 UNL1 -0.3974 6 O 4.4015 0.3892 2.9762 O.2 1 UNL1 -0.3617 7 O -5.3441 2.6691 -0.1931 O.2 1 UNL1 -0.3316 8 O -3.4002 3.6139 -0.3102 O.2 1 UNL1 -0.3530 9 N 4.6601 0.3021 1.7909 N.pl3 1 UNL1 0.6712 10 N -4.1297 2.6443 -0.2075 N.pl3 1 UNL1 0.6660 11 C -0.0295 -0.1601 -0.0210 C.1 1 UNL1 0.3107 12 C 1.2705 -0.0729 -0.0136 C.2 1 UNL1 -0.2063 13 C -1.3305 -0.2717 0.0000 C.2 1 UNL1 -0.2280 14 C 2.1294 0.0977 1.3047 C.2 1 UNL1 0.5049 15 C -2.0874 -1.6453 0.1101 C.2 1 UNL1 0.4875 16 C -2.3496 0.6955 -0.0619 C.3 1 UNL1 0.0702 17 C 2.2236 -0.0985 -1.0504 C.3 1 UNL1 -0.0351 18 C 3.5765 0.1511 0.8699 C.3 1 UNL1 -0.2579 19 C -3.4948 1.3737 -0.1019 C.3 1 UNL1 -0.0275 20 C -3.5690 -1.3329 0.1112 C.3 1 UNL1 -0.1694 21 C 3.3034 -0.0964 -1.8385 C.3 1 UNL1 0.0144 22 C 3.6127 0.0392 -0.4620 C.3 1 UNL1 0.0691 23 C -3.7214 -0.0230 0.0134 C.3 1 UNL1 -0.0328 @BOND 1 2 21 1 2 21 17 1 3 21 22 1 4 17 22 1 5 17 12 1 6 22 18 1 7 8 10 2 8 10 7 2 9 10 19 1 10 19 16 1 11 19 23 1 12 16 13 1 13 16 23 1 14 11 12 2 15 11 13 2 16 12 14 1 17 13 15 1 18 23 20 1 19 15 20 1 20 15 4 2 21 20 1 1 22 18 14 1 23 18 9 1 24 14 3 2 25 5 9 2 26 9 6 2