@MOLECULE batanopride 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.7929 -2.6838 0.2157 Cl 1 UNL1111111111 -0.0755 2 O -0.5937 1.3167 -0.2912 O.3 1 UNL1111111111 -0.3496 3 O 0.6184 -1.9103 1.0926 O.2 1 UNL1111111111 -0.5361 4 O -0.9345 3.7260 -1.3365 O.2 1 UNL1111111111 -0.4026 5 N 4.6289 -0.8177 -0.6037 N.3 1 UNL1111111111 -0.4292 6 N 0.9008 -1.1655 -1.0359 N.am 1 UNL1111111111 -0.5823 7 N -5.2836 0.2539 -0.2075 N.pl3 1 UNL1111111111 -0.6025 8 C 3.2052 -0.4064 -0.5494 C.3 1 UNL1111111111 -0.1526 9 C 2.3110 -1.5620 -1.0604 C.3 1 UNL1111111111 -0.0732 10 C 5.5079 0.3726 -0.6128 C.3 1 UNL1111111111 -0.0899 11 C 4.9456 -1.7652 0.4963 C.3 1 UNL1111111111 -0.0908 12 C 5.4717 1.2507 0.6484 C.3 1 UNL1111111111 -0.4857 13 C 6.3946 -2.2577 0.4193 C.3 1 UNL1111111111 -0.4506 14 C -1.2557 -0.9141 0.0217 C.ar 1 UNL1111111111 -0.2960 15 C 0.1606 -1.3479 0.1172 C.2 1 UNL1111111111 0.6149 16 C -1.6208 0.4255 -0.1548 C.ar 1 UNL1111111111 0.3319 17 C -0.6294 2.4014 0.6438 C.3 1 UNL1111111111 0.0351 18 C -2.2634 -1.8708 0.1462 C.ar 1 UNL1111111111 0.0134 19 C -2.9466 0.8319 -0.2449 C.ar 1 UNL1111111111 -0.4153 20 C -3.9677 -0.1352 -0.1421 C.ar 1 UNL1111111111 0.3254 21 C -3.5885 -1.4823 0.0640 C.ar 1 UNL1111111111 -0.1937 22 C 0.7316 2.3596 1.3270 C.3 1 UNL1111111111 -0.4660 23 C -0.8229 3.6975 -0.1420 C.2 1 UNL1111111111 0.4420 24 C -0.8811 4.9372 0.7022 C.3 1 UNL1111111111 -0.5577 25 H 3.0614 0.4741 -1.2120 H 1 UNL1111111111 0.1401 26 H 2.8754 -0.1058 0.4690 H 1 UNL1111111111 0.1290 27 H 2.4480 -2.4736 -0.4336 H 1 UNL1111111111 0.1653 28 H 2.5983 -1.8381 -2.0995 H 1 UNL1111111111 0.1531 29 H 6.5476 0.0210 -0.7967 H 1 UNL1111111111 0.1402 30 H 5.2339 0.9824 -1.5034 H 1 UNL1111111111 0.1354 31 H 4.7401 -1.3357 1.5002 H 1 UNL1111111111 0.1155 32 H 4.2628 -2.6394 0.3836 H 1 UNL1111111111 0.1414 33 H 0.5878 -0.5082 -1.7348 H 1 UNL1111111111 0.3171 34 H 4.4610 1.6097 0.8636 H 1 UNL1111111111 0.1446 35 H 5.8206 0.7045 1.5297 H 1 UNL1111111111 0.1495 36 H 6.1166 2.1268 0.5289 H 1 UNL1111111111 0.1459 37 H 7.1121 -1.4793 0.6999 H 1 UNL1111111111 0.1411 38 H 6.5484 -3.1098 1.0907 H 1 UNL1111111111 0.1437 39 H 6.6434 -2.5833 -0.5988 H 1 UNL1111111111 0.1582 40 H -1.4558 2.2741 1.3800 H 1 UNL1111111111 0.1503 41 H -1.9927 -2.9213 0.3094 H 1 UNL1111111111 0.1845 42 H -3.1824 1.8743 -0.4261 H 1 UNL1111111111 0.1825 43 H 0.8145 3.1048 2.1249 H 1 UNL1111111111 0.1570 44 H 0.9001 1.3672 1.7778 H 1 UNL1111111111 0.1788 45 H 1.5489 2.5207 0.6121 H 1 UNL1111111111 0.1636 46 H 0.1207 5.2199 1.0558 H 1 UNL1111111111 0.1795 47 H -1.5225 4.8187 1.5827 H 1 UNL1111111111 0.1696 48 H -1.2654 5.7913 0.1232 H 1 UNL1111111111 0.1815 49 H -5.5193 1.1925 -0.4476 H 1 UNL1111111111 0.3065 50 H -6.0234 -0.4139 -0.2229 H 1 UNL1111111111 0.3128 @BOND 1 1 21 1 2 2 16 1 3 2 17 1 4 3 15 2 5 4 23 2 6 5 8 1 7 5 10 1 8 5 11 1 9 6 9 1 10 6 15 am 11 6 33 1 12 7 20 1 13 7 49 1 14 7 50 1 15 8 9 1 16 8 25 1 17 8 26 1 18 9 27 1 19 9 28 1 20 10 12 1 21 10 29 1 22 10 30 1 23 11 13 1 24 11 31 1 25 11 32 1 26 12 34 1 27 12 35 1 28 12 36 1 29 13 37 1 30 13 38 1 31 13 39 1 32 14 15 1 33 14 16 ar 34 14 18 ar 35 16 19 ar 36 17 22 1 37 17 23 1 38 17 40 1 39 18 21 ar 40 18 41 1 41 19 20 ar 42 19 42 1 43 20 21 ar 44 22 43 1 45 22 44 1 46 22 45 1 47 23 24 1 48 24 46 1 49 24 47 1 50 24 48 1