@MOLECULE idalopirdine 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 F -7.0729 3.4241 -1.0306 F 1 UNL1111111111 -0.1747 2 F 6.3437 0.7593 -0.6613 F 1 UNL1111111111 -0.1745 3 F 5.7303 1.0294 1.3233 F 1 UNL1111111111 -0.1619 4 F 6.3238 3.4093 0.3839 F 1 UNL1111111111 -0.1670 5 F 4.2287 3.3210 0.4774 F 1 UNL1111111111 -0.1894 6 O 4.4027 -0.8218 -0.1231 O.3 1 UNL1111111111 -0.2960 7 N -1.0114 -2.1897 0.1151 N.3 1 UNL1111111111 -0.5359 8 N -6.7462 -1.0815 0.6929 N.ar 1 UNL1111111111 -0.3714 9 C -3.0789 -1.3834 1.1719 C.3 1 UNL1111111111 -0.2719 10 C -4.4808 -1.0057 0.9079 C.ar 1 UNL1111111111 -0.0821 11 C -4.9239 0.2639 0.3946 C.ar 1 UNL1111111111 -0.1214 12 C -2.3504 -1.6259 -0.1676 C.3 1 UNL1111111111 -0.0993 13 C -6.3505 0.1807 0.2690 C.ar 1 UNL1111111111 0.1451 14 C -5.6034 -1.7967 1.0803 C.ar 1 UNL1111111111 -0.0533 15 C -0.2133 -2.3292 -1.1286 C.3 1 UNL1111111111 -0.1332 16 C -4.2636 1.4428 0.0343 C.ar 1 UNL1111111111 -0.0604 17 C 1.2234 -2.5801 -0.7503 C.ar 1 UNL1111111111 0.0558 18 C -7.1190 1.2489 -0.2161 C.ar 1 UNL1111111111 -0.3022 19 C -5.0027 2.5079 -0.4473 C.ar 1 UNL1111111111 -0.2665 20 C -6.4040 2.3810 -0.5608 C.ar 1 UNL1111111111 0.2413 21 C 2.1010 -1.4967 -0.6341 C.ar 1 UNL1111111111 -0.3296 22 C 1.6614 -3.8774 -0.5008 C.ar 1 UNL1111111111 -0.2149 23 C 3.4178 -1.7550 -0.2681 C.ar 1 UNL1111111111 0.2485 24 C 2.9908 -4.1104 -0.1366 C.ar 1 UNL1111111111 -0.0744 25 C 3.8831 -3.0554 -0.0171 C.ar 1 UNL1111111111 -0.2436 26 C 4.0224 0.5417 -0.2455 C.3 1 UNL1111111111 -0.1217 27 C 5.3439 1.2696 0.0681 C.3 1 UNL1111111111 0.3082 28 C 5.2736 2.8130 -0.1950 C.3 1 UNL1111111111 0.1942 29 H -3.0143 -2.3011 1.7961 H 1 UNL1111111111 0.1664 30 H -2.5631 -0.5930 1.7560 H 1 UNL1111111111 0.1509 31 H -2.9138 -2.3713 -0.7726 H 1 UNL1111111111 0.1475 32 H -2.3184 -0.6866 -0.7591 H 1 UNL1111111111 0.1144 33 H -5.6800 -2.8039 1.4434 H 1 UNL1111111111 0.1689 34 H -0.5102 -1.6287 0.8018 H 1 UNL1111111111 0.2570 35 H -0.6317 -3.1937 -1.6966 H 1 UNL1111111111 0.1557 36 H -0.2953 -1.4467 -1.8018 H 1 UNL1111111111 0.1236 37 H -7.6795 -1.4177 0.7252 H 1 UNL1111111111 0.3156 38 H -3.1827 1.5116 0.1384 H 1 UNL1111111111 0.1543 39 H -8.1962 1.1831 -0.3112 H 1 UNL1111111111 0.1803 40 H -4.5167 3.4374 -0.7358 H 1 UNL1111111111 0.1752 41 H 1.7478 -0.4924 -0.8296 H 1 UNL1111111111 0.1598 42 H 0.9638 -4.7095 -0.5733 H 1 UNL1111111111 0.1657 43 H 3.3260 -5.1296 0.0586 H 1 UNL1111111111 0.1549 44 H 4.9215 -3.2124 0.2663 H 1 UNL1111111111 0.1783 45 H 3.2290 0.7888 0.4868 H 1 UNL1111111111 0.1651 46 H 3.6691 0.7477 -1.2721 H 1 UNL1111111111 0.1520 47 H 5.2120 3.0722 -1.2938 H 1 UNL1111111111 0.1665 @BOND 1 1 20 1 2 2 27 1 3 3 27 1 4 4 28 1 5 5 28 1 6 6 23 1 7 6 26 1 8 7 12 1 9 7 15 1 10 7 34 1 11 8 13 ar 12 8 14 ar 13 8 37 1 14 9 10 1 15 9 12 1 16 9 29 1 17 9 30 1 18 10 11 ar 19 10 14 ar 20 11 13 ar 21 11 16 ar 22 12 31 1 23 12 32 1 24 13 18 ar 25 14 33 1 26 15 17 1 27 15 35 1 28 15 36 1 29 16 19 ar 30 16 38 1 31 17 21 ar 32 17 22 ar 33 18 20 ar 34 18 39 1 35 19 20 ar 36 19 40 1 37 21 23 ar 38 21 41 1 39 22 24 ar 40 22 42 1 41 23 25 ar 42 24 25 ar 43 24 43 1 44 25 44 1 45 26 27 1 46 26 45 1 47 26 46 1 48 27 28 1 49 28 47 1