@MOLECULE taranabant 61 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.3178 0.9816 0.3128 C.3 1 UNL1 -0.1475 2 C 1.1221 1.9666 0.1372 C.3 1 UNL1 0.1134 3 C -5.3761 1.2936 -0.6871 C.ar 1 UNL1 -0.3200 4 C -6.2029 -0.9956 0.6359 C.ar 1 UNL1 0.1727 5 C -6.7221 0.9862 -0.6501 C.ar 1 UNL1 0.0302 6 C 4.7065 1.5629 0.7680 C.ar 1 UNL1 -0.1368 7 C 3.7596 2.2227 -1.3521 C.ar 1 UNL1 -0.1433 8 C 4.9865 2.7558 -1.7403 C.ar 1 UNL1 -0.1407 9 C 6.0838 2.6875 -0.8860 C.ar 1 UNL1 -0.1208 10 C 3.4805 -1.9419 0.7502 C.ar 1 UNL1 -0.1634 11 C 4.2076 -1.2897 -1.4669 C.ar 1 UNL1 -0.1491 12 C 4.5979 -2.7623 0.8838 C.ar 1 UNL1 -0.1583 13 C 5.3288 -2.1076 -1.3478 C.ar 1 UNL1 -0.1581 14 C 2.1036 -0.2928 -0.5351 C.3 1 UNL1 -0.2895 15 C -2.1802 -1.4618 -0.4176 C.3 1 UNL1 -0.4931 16 C -2.1614 -0.2719 1.8218 C.3 1 UNL1 -0.5098 17 C 1.3574 3.2551 0.9316 C.3 1 UNL1 -0.4826 18 H -0.3016 1.3786 1.6086 H 1 UNL1 0.3155 19 C -4.4869 0.3972 -0.0444 C.ar 1 UNL1 0.4611 20 C 3.6134 1.6241 -0.0977 C.ar 1 UNL1 -0.0002 21 C -7.1521 -0.1742 0.0162 C.ar 1 UNL1 -0.3182 22 C 3.2871 -1.2009 -0.4192 C.ar 1 UNL1 0.0092 23 C 5.9388 2.0870 0.3680 C.ar 1 UNL1 -0.0256 24 C 5.4986 -2.8254 -0.1713 C.ar 1 UNL1 0.0139 25 O -0.6900 0.6527 -1.4498 O.2 1 UNL1 -0.5120 26 C -0.9296 0.6656 -0.2609 C.2 1 UNL1 0.5385 27 O -3.2004 0.7494 -0.1148 O.3 1 UNL1 -0.3433 28 CL 6.8735 -3.8313 -0.0146 Cl 1 UNL1 -0.0843 29 N -0.1111 1.3251 0.6238 N.am 1 UNL1 -0.6067 30 F -8.9440 -1.5498 0.7872 F 1 UNL1 -0.2039 31 F -9.3834 0.4829 0.4663 F 1 UNL1 -0.2024 32 F -9.0936 -0.8055 -1.1763 F 1 UNL1 -0.2016 33 C -2.1410 -0.1313 0.3115 C.3 1 UNL1 0.2504 34 C -8.6038 -0.5076 0.0287 C.3 1 UNL1 0.5735 35 C 7.0572 1.9933 1.2412 C.1 1 UNL1 0.1080 36 N 7.9670 1.9127 1.9521 N.1 1 UNL1 -0.2290 37 N -4.8869 -0.7173 0.6089 N.ar 1 UNL1 -0.4995 38 H 2.3640 0.6821 1.3896 H 1 UNL1 0.1517 39 H 0.9931 2.2079 -0.9544 H 1 UNL1 0.1680 40 H 1.1830 -0.8187 -0.2080 H 1 UNL1 0.1591 41 H 1.8994 -0.0160 -1.5915 H 1 UNL1 0.1708 42 H -4.9884 2.1741 -1.1929 H 1 UNL1 0.1957 43 H -6.4680 -1.9158 1.1785 H 1 UNL1 0.1863 44 H -7.4471 1.6421 -1.1432 H 1 UNL1 0.1750 45 H 4.6107 1.0928 1.7470 H 1 UNL1 0.1655 46 H 2.9126 2.2641 -2.0379 H 1 UNL1 0.1620 47 H -2.3119 -1.3142 -1.5023 H 1 UNL1 0.1835 48 H -1.2492 -2.0264 -0.2816 H 1 UNL1 0.1662 49 H -3.0055 -2.1000 -0.0690 H 1 UNL1 0.1839 50 H -2.9982 -0.9216 2.1398 H 1 UNL1 0.1983 51 H -1.2459 -0.7359 2.2055 H 1 UNL1 0.1633 52 H -2.3199 0.6889 2.3261 H 1 UNL1 0.1600 53 H 1.5339 3.0650 1.9956 H 1 UNL1 0.1528 54 H 2.2350 3.7949 0.5504 H 1 UNL1 0.1673 55 H 0.4992 3.9342 0.8489 H 1 UNL1 0.1601 56 H 5.0900 3.2216 -2.7201 H 1 UNL1 0.1597 57 H 7.0481 3.0931 -1.1912 H 1 UNL1 0.1648 58 H 2.7574 -1.8771 1.5607 H 1 UNL1 0.1547 59 H 4.0546 -0.7113 -2.3774 H 1 UNL1 0.1615 60 H 4.7554 -3.3372 1.7958 H 1 UNL1 0.1707 61 H 6.0512 -2.1746 -2.1611 H 1 UNL1 0.1725 @BOND 1 56 8 1 2 59 11 1 3 61 13 1 4 46 7 1 5 8 7 ar 6 8 9 ar 7 41 14 1 8 47 15 1 9 11 13 ar 10 11 22 ar 11 25 26 2 12 7 20 ar 13 13 24 ar 14 42 3 1 15 57 9 1 16 32 34 1 17 44 5 1 18 39 2 1 19 9 23 ar 20 3 5 ar 21 3 19 ar 22 5 21 ar 23 14 22 1 24 14 40 1 25 14 1 1 26 22 10 ar 27 15 48 1 28 15 49 1 29 15 33 1 30 26 33 1 31 26 29 am 32 24 28 1 33 24 12 ar 34 27 19 1 35 27 33 1 36 20 1 1 37 20 6 ar 38 19 37 ar 39 21 34 1 40 21 4 ar 41 34 31 1 42 34 30 1 43 2 1 1 44 2 29 1 45 2 17 1 46 33 16 1 47 1 38 1 48 23 6 ar 49 23 35 1 50 54 17 1 51 37 4 ar 52 29 18 1 53 4 43 1 54 10 12 ar 55 10 58 1 56 6 45 1 57 55 17 1 58 12 60 1 59 17 53 1 60 35 36 3 61 16 50 1 62 16 51 1 63 16 52 1