@MOLECULE chlorophacinone 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.0076 -3.2200 0.1317 Cl 1 UNL1111111111 -0.0889 2 O 0.8255 1.0115 -1.4387 O.2 1 UNL1111111111 -0.3937 3 O 2.0088 0.4878 2.2153 O.2 1 UNL1111111111 -0.4013 4 O 1.9017 -1.8948 -1.8450 O.2 1 UNL1111111111 -0.3743 5 C 1.3820 -0.6404 0.1682 C.3 1 UNL1111111111 -0.4683 6 C -0.6621 0.8631 0.4461 C.3 1 UNL1111111111 -0.2396 7 C 0.5370 0.4792 -0.4047 C.2 1 UNL1111111111 0.4924 8 C 2.3467 -0.0738 1.2138 C.2 1 UNL1111111111 0.4843 9 C 2.2827 -1.2789 -0.8949 C.2 1 UNL1111111111 0.4844 10 C 3.7246 -0.3457 0.7441 C.ar 1 UNL1111111111 -0.1387 11 C 3.6903 -1.0345 -0.4841 C.ar 1 UNL1111111111 -0.1225 12 C -1.7386 -0.1831 0.3493 C.ar 1 UNL1111111111 -0.0033 13 C -1.2217 2.1996 0.0410 C.ar 1 UNL1111111111 0.0017 14 C 4.9231 -0.0019 1.3357 C.ar 1 UNL1111111111 -0.0841 15 C 4.8532 -1.3860 -1.1365 C.ar 1 UNL1111111111 -0.0928 16 C -2.5693 -0.3946 1.4538 C.ar 1 UNL1111111111 -0.1394 17 C -1.9315 -0.9161 -0.8244 C.ar 1 UNL1111111111 -0.1472 18 C -1.3343 3.2120 0.9959 C.ar 1 UNL1111111111 -0.1644 19 C -1.6422 2.4290 -1.2701 C.ar 1 UNL1111111111 -0.1307 20 C 6.1094 -0.3592 0.6755 C.ar 1 UNL1111111111 -0.1384 21 C 6.0752 -1.0377 -0.5385 C.ar 1 UNL1111111111 -0.1258 22 C -3.5921 -1.3378 1.3917 C.ar 1 UNL1111111111 -0.1622 23 C -2.9478 -1.8658 -0.8987 C.ar 1 UNL1111111111 -0.1559 24 C -1.8726 4.4465 0.6389 C.ar 1 UNL1111111111 -0.1455 25 C -2.1793 3.6646 -1.6234 C.ar 1 UNL1111111111 -0.1444 26 C -3.7564 -2.0553 0.2139 C.ar 1 UNL1111111111 0.0210 27 C -2.2973 4.6734 -0.6689 C.ar 1 UNL1111111111 -0.1467 28 H 0.7264 -1.4226 0.6245 H 1 UNL1111111111 0.2199 29 H -0.2962 0.9239 1.5160 H 1 UNL1111111111 0.1988 30 H 4.9491 0.5339 2.2845 H 1 UNL1111111111 0.1705 31 H 4.8258 -1.9153 -2.0896 H 1 UNL1111111111 0.1733 32 H -2.4255 0.1854 2.3654 H 1 UNL1111111111 0.1629 33 H -1.2916 -0.7501 -1.6943 H 1 UNL1111111111 0.1740 34 H -1.0007 3.0450 2.0180 H 1 UNL1111111111 0.1515 35 H -1.5408 1.6457 -2.0211 H 1 UNL1111111111 0.1633 36 H 7.0678 -0.0967 1.1241 H 1 UNL1111111111 0.1584 37 H 7.0072 -1.3040 -1.0382 H 1 UNL1111111111 0.1584 38 H -4.2440 -1.5014 2.2493 H 1 UNL1111111111 0.1710 39 H -3.0976 -2.4408 -1.8129 H 1 UNL1111111111 0.1746 40 H -1.9611 5.2342 1.3838 H 1 UNL1111111111 0.1479 41 H -2.5042 3.8410 -2.6470 H 1 UNL1111111111 0.1517 42 H -2.7172 5.6380 -0.9453 H 1 UNL1111111111 0.1479 @BOND 1 1 26 1 2 2 7 2 3 3 8 2 4 4 9 2 5 5 7 1 6 5 8 1 7 5 9 1 8 5 28 1 9 6 7 1 10 6 12 1 11 6 13 1 12 6 29 1 13 8 10 1 14 9 11 1 15 10 11 ar 16 10 14 ar 17 11 15 ar 18 12 16 ar 19 12 17 ar 20 13 18 ar 21 13 19 ar 22 14 20 ar 23 14 30 1 24 15 21 ar 25 15 31 1 26 16 22 ar 27 16 32 1 28 17 23 ar 29 17 33 1 30 18 24 ar 31 18 34 1 32 19 25 ar 33 19 35 1 34 20 21 ar 35 20 36 1 36 21 37 1 37 22 26 ar 38 22 38 1 39 23 26 ar 40 23 39 1 41 24 27 ar 42 24 40 1 43 25 27 ar 44 25 41 1 45 27 42 1