@MOLECULE adipiplon 44 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -1.4472 0.1266 -2.5673 F 1 UNL1 -0.1194 2 N -1.7875 1.6428 0.9260 N.ar 1 UNL1 -0.2232 3 N 2.9205 1.2020 -0.0604 N.ar 1 UNL1 -0.1729 4 N 1.1021 2.1557 1.0302 N.2 1 UNL1 -0.4016 5 N 3.2537 -0.9702 -0.4968 N.ar 1 UNL1 -0.4507 6 N 4.1068 1.1467 -0.7268 N.ar 1 UNL1 -0.3070 7 N -3.1914 2.0509 -0.7827 N.ar 1 UNL1 -0.3433 8 N -2.9694 -1.2108 0.3943 N.ar 1 UNL1 -0.3393 9 C 1.1309 -0.2555 0.7455 C.2 1 UNL1 -0.0779 10 C 0.5936 -1.6278 0.9501 C.3 1 UNL1 -0.2752 11 C 0.5229 0.9092 1.1643 C.3 1 UNL1 0.1161 12 C -0.8519 0.9575 1.8016 C.3 1 UNL1 -0.0765 13 C 2.3861 -0.1200 0.0843 C.ar 1 UNL1 0.2314 14 C 0.8631 -2.0977 2.3903 C.3 1 UNL1 -0.2270 15 C -2.4993 1.0880 -0.1432 C.ar 1 UNL1 0.1586 16 C 2.2596 2.3174 0.4351 C.2 1 UNL1 0.2508 17 C 0.1944 -3.4479 2.6408 C.3 1 UNL1 -0.4331 18 C -2.0200 3.0127 0.9119 C.ar 1 UNL1 -0.1013 19 C 4.2930 -0.1793 -0.9890 C.ar 1 UNL1 0.2904 20 C -2.4807 -0.3258 -0.4992 C.ar 1 UNL1 0.1158 21 C -2.9074 3.2442 -0.1436 C.ar 1 UNL1 -0.0821 22 C 5.4452 -0.7318 -1.7204 C.3 1 UNL1 -0.4248 23 C -1.9608 -0.7567 -1.7350 C.ar 1 UNL1 0.1314 24 C -1.9583 -2.1100 -2.0720 C.ar 1 UNL1 -0.1418 25 C -2.9732 -2.5161 0.0742 C.ar 1 UNL1 0.0181 26 C -2.4831 -3.0058 -1.1459 C.ar 1 UNL1 -0.1888 27 H -0.4906 -1.6762 0.7265 H 1 UNL1 0.1601 28 H 1.0660 -2.3431 0.2362 H 1 UNL1 0.1810 29 H -1.2354 -0.0716 2.0259 H 1 UNL1 0.1876 30 H -0.7943 1.4941 2.7841 H 1 UNL1 0.1825 31 H 1.9557 -2.1755 2.5577 H 1 UNL1 0.1450 32 H 0.4963 -1.3493 3.1168 H 1 UNL1 0.1339 33 H 2.7197 3.3108 0.3184 H 1 UNL1 0.2205 34 H 0.5598 -4.2107 1.9434 H 1 UNL1 0.1451 35 H -0.8939 -3.3862 2.5273 H 1 UNL1 0.1426 36 H 0.3994 -3.8081 3.6549 H 1 UNL1 0.1397 37 H -1.5538 3.6867 1.6001 H 1 UNL1 0.1831 38 H -3.3463 4.1639 -0.4766 H 1 UNL1 0.1801 39 H 5.6232 -1.7882 -1.4510 H 1 UNL1 0.1848 40 H 6.3715 -0.1680 -1.5213 H 1 UNL1 0.1788 41 H 5.2718 -0.7013 -2.8115 H 1 UNL1 0.1821 42 H -1.5553 -2.4522 -3.0263 H 1 UNL1 0.1842 43 H -3.3902 -3.1849 0.8361 H 1 UNL1 0.1754 44 H -2.5115 -4.0716 -1.3593 H 1 UNL1 0.1668 @BOND 1 42 24 1 2 41 22 1 3 1 23 1 4 24 23 ar 5 24 26 ar 6 23 20 ar 7 22 40 1 8 22 39 1 9 22 19 1 10 44 26 1 11 26 25 ar 12 19 6 ar 13 19 5 ar 14 7 21 ar 15 7 15 ar 16 6 3 ar 17 20 15 1 18 20 8 ar 19 5 13 ar 20 38 21 1 21 21 18 ar 22 15 2 ar 23 3 13 ar 24 3 16 1 25 25 8 ar 26 25 43 1 27 13 9 2 28 28 10 1 29 33 16 1 30 16 4 2 31 27 10 1 32 9 10 1 33 9 11 1 34 18 2 ar 35 18 37 1 36 2 12 1 37 10 14 1 38 4 11 1 39 11 12 1 40 12 29 1 41 12 30 1 42 34 17 1 43 14 31 1 44 14 17 1 45 14 32 1 46 35 17 1 47 17 36 1