@MOLECULE risperidone 57 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -9.0941 1.7737 0.2303 F 1 UNL1 -0.1633 2 O -5.9618 -1.6501 -0.9455 O.2 1 UNL1 0.0184 3 O 3.5495 1.5757 -0.8521 O.2 1 UNL1 -0.5202 4 N 0.0853 -0.9067 0.2283 N.3 1 UNL1 -0.4200 5 N 5.6046 0.8916 -0.2201 N.ar 1 UNL1 -0.4620 6 N -4.5883 -1.7000 -0.7377 N.ar 1 UNL1 -0.2176 7 N 6.0248 -1.3725 0.3108 N.ar 1 UNL1 -0.5457 8 C -2.7729 -0.3160 0.2798 C.3 1 UNL1 -0.0965 9 C -1.9090 -0.0738 -0.9707 C.3 1 UNL1 -0.2809 10 C -2.1636 -1.4830 1.0756 C.3 1 UNL1 -0.2818 11 C -0.4652 0.2368 -0.5429 C.3 1 UNL1 -0.1059 12 C -0.7117 -1.1470 1.4578 C.3 1 UNL1 -0.1086 13 C 1.5093 -0.6657 0.5727 C.3 1 UNL1 -0.1131 14 C -4.1784 -0.6105 -0.1127 C.ar 1 UNL1 0.1015 15 C 2.3743 -1.0280 -0.6563 C.3 1 UNL1 -0.2339 16 C 3.8045 -0.7480 -0.3589 C.ar 1 UNL1 -0.3215 17 C -5.3260 0.2611 0.1275 C.ar 1 UNL1 -0.2006 18 C 6.0621 2.2795 -0.4243 C.3 1 UNL1 -0.0716 19 C 7.3709 2.5699 0.3153 C.3 1 UNL1 -0.2957 20 C 6.4482 -0.1225 0.1754 C.ar 1 UNL1 0.4183 21 C 8.3950 1.4821 -0.0092 C.3 1 UNL1 -0.2609 22 C 7.8910 0.1383 0.5135 C.3 1 UNL1 -0.2925 23 C 4.2223 0.6251 -0.5124 C.ar 1 UNL1 0.5824 24 C 4.7111 -1.6960 0.0471 C.ar 1 UNL1 0.3091 25 C -6.4153 -0.4599 -0.4233 C.ar 1 UNL1 0.1170 26 C -5.5333 1.5039 0.7159 C.ar 1 UNL1 -0.0238 27 C 4.3732 -3.1352 0.2349 C.3 1 UNL1 -0.4454 28 C -7.7224 0.0079 -0.4141 C.ar 1 UNL1 -0.2897 29 C -6.8278 2.0069 0.7439 C.ar 1 UNL1 -0.2744 30 C -7.8779 1.2551 0.1839 C.ar 1 UNL1 0.2635 31 H -2.7588 0.6050 0.9179 H 1 UNL1 0.1487 32 H -2.3151 0.7521 -1.5788 H 1 UNL1 0.1399 33 H -1.9199 -0.9766 -1.6166 H 1 UNL1 0.1696 34 H -2.1824 -2.4071 0.4600 H 1 UNL1 0.1720 35 H -2.7582 -1.6987 1.9794 H 1 UNL1 0.1381 36 H 0.1670 0.3765 -1.4491 H 1 UNL1 0.1484 37 H -0.4268 1.1928 0.0218 H 1 UNL1 0.1147 38 H -0.6906 -0.2859 2.1587 H 1 UNL1 0.1107 39 H -0.2648 -2.0158 1.9897 H 1 UNL1 0.1358 40 H 1.8035 -1.3116 1.4257 H 1 UNL1 0.1313 41 H 1.7104 0.3839 0.8782 H 1 UNL1 0.1276 42 H 2.2008 -2.0866 -0.9348 H 1 UNL1 0.1589 43 H 2.0418 -0.4406 -1.5410 H 1 UNL1 0.1651 44 H 5.2536 2.9739 -0.0816 H 1 UNL1 0.1743 45 H 6.1764 2.4520 -1.5208 H 1 UNL1 0.1541 46 H 7.1967 2.6226 1.4078 H 1 UNL1 0.1536 47 H 7.7497 3.5678 0.0230 H 1 UNL1 0.1531 48 H 9.3771 1.7221 0.4406 H 1 UNL1 0.1472 49 H 8.5708 1.4315 -1.1021 H 1 UNL1 0.1504 50 H 8.0058 0.0797 1.6206 H 1 UNL1 0.1770 51 H 8.5162 -0.6972 0.1219 H 1 UNL1 0.1832 52 H -4.7025 2.0664 1.1412 H 1 UNL1 0.1633 53 H 3.5022 -3.2609 0.8958 H 1 UNL1 0.1707 54 H 5.2110 -3.7003 0.6769 H 1 UNL1 0.1782 55 H 4.1326 -3.6125 -0.7281 H 1 UNL1 0.1720 56 H -8.5472 -0.5553 -0.8396 H 1 UNL1 0.1958 57 H -7.0325 2.9774 1.1947 H 1 UNL1 0.1819 @BOND 1 33 9 1 2 32 9 1 3 43 15 1 4 45 18 1 5 36 11 1 6 49 21 1 7 9 11 1 8 9 8 1 9 2 6 ar 10 2 25 ar 11 42 15 1 12 3 23 2 13 56 28 1 14 6 14 ar 15 55 27 1 16 15 16 1 17 15 13 1 18 11 37 1 19 11 4 1 20 23 16 ar 21 23 5 ar 22 18 5 1 23 18 44 1 24 18 19 1 25 25 28 ar 26 25 17 ar 27 28 30 ar 28 16 24 ar 29 5 20 ar 30 14 17 ar 31 14 8 1 32 21 19 1 33 21 48 1 34 21 22 1 35 47 19 1 36 24 27 1 37 24 7 ar 38 51 22 1 39 17 26 ar 40 20 7 ar 41 20 22 1 42 30 1 1 43 30 29 ar 44 4 13 1 45 4 12 1 46 27 54 1 47 27 53 1 48 8 31 1 49 8 10 1 50 19 46 1 51 34 10 1 52 22 50 1 53 13 41 1 54 13 40 1 55 26 29 ar 56 26 52 1 57 29 57 1 58 10 12 1 59 10 35 1 60 12 39 1 61 12 38 1