@MOLECULE itopride 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8342 -0.5573 0.5738 O.3 1 UNL1111111111 -0.3696 2 O 6.0592 0.8690 -1.4700 O.3 1 UNL1111111111 -0.2740 3 O 6.0977 2.1115 0.7479 O.3 1 UNL1111111111 -0.2706 4 O 1.5509 -1.6717 -1.5091 O.2 1 UNL1111111111 -0.5388 5 N -6.8029 2.2240 -0.6131 N.3 1 UNL1111111111 -0.3839 6 N 1.3055 -2.1100 0.6984 N.am 1 UNL1111111111 -0.5881 7 C -6.4045 1.1091 0.2752 C.3 1 UNL1111111111 -0.1478 8 C -1.1264 -2.3383 0.4511 C.ar 1 UNL1111111111 -0.1226 9 C -5.2832 0.3344 -0.4495 C.3 1 UNL1111111111 -0.0352 10 C 0.2028 -3.0446 0.4465 C.3 1 UNL1111111111 -0.0614 11 C -3.5953 -1.0940 0.4392 C.ar 1 UNL1111111111 0.2697 12 C -1.8270 -2.1740 1.6496 C.ar 1 UNL1111111111 -0.0983 13 C -1.6565 -1.8478 -0.7432 C.ar 1 UNL1111111111 -0.0650 14 C -3.0674 -1.5552 1.6554 C.ar 1 UNL1111111111 -0.2555 15 C -2.9036 -1.2277 -0.7645 C.ar 1 UNL1111111111 -0.2941 16 C 2.9247 -0.4331 -0.0157 C.ar 1 UNL1111111111 -0.1315 17 C 1.8625 -1.4162 -0.3613 C.2 1 UNL1111111111 0.5939 18 C -7.9373 1.8339 -1.4770 C.3 1 UNL1111111111 -0.2821 19 C -7.1397 3.4310 0.1710 C.3 1 UNL1111111111 -0.2800 20 C 3.9647 -0.2653 -0.9430 C.ar 1 UNL1111111111 -0.1919 21 C 2.9068 0.2967 1.1631 C.ar 1 UNL1111111111 -0.1216 22 C 4.9991 0.6079 -0.6591 C.ar 1 UNL1111111111 0.1359 23 C 5.0099 1.3159 0.5762 C.ar 1 UNL1111111111 0.1796 24 C 3.9603 1.1646 1.4712 C.ar 1 UNL1111111111 -0.2613 25 C 6.0143 0.2666 -2.7595 C.3 1 UNL1111111111 -0.2146 26 C 6.2126 2.7661 2.0038 C.3 1 UNL1111111111 -0.2163 27 H -6.0033 1.4909 1.2403 H 1 UNL1111111111 0.1520 28 H -7.2359 0.4249 0.5397 H 1 UNL1111111111 0.1324 29 H -5.6509 -0.2612 -1.2987 H 1 UNL1111111111 0.1283 30 H -4.4730 1.0145 -0.7794 H 1 UNL1111111111 0.1477 31 H 0.2361 -3.8470 1.2204 H 1 UNL1111111111 0.1406 32 H 0.3730 -3.5489 -0.5384 H 1 UNL1111111111 0.1721 33 H -1.3977 -2.5249 2.5862 H 1 UNL1111111111 0.1454 34 H -1.0789 -1.9447 -1.6690 H 1 UNL1111111111 0.1727 35 H -3.6327 -1.4200 2.5722 H 1 UNL1111111111 0.1689 36 H -3.3201 -0.8718 -1.7010 H 1 UNL1111111111 0.1673 37 H 1.4507 -1.8222 1.6498 H 1 UNL1111111111 0.3063 38 H -8.8801 1.6539 -0.9395 H 1 UNL1111111111 0.1196 39 H -8.1063 2.6320 -2.2194 H 1 UNL1111111111 0.1467 40 H -7.6744 0.9207 -2.0349 H 1 UNL1111111111 0.1456 41 H -6.2469 3.7523 0.7352 H 1 UNL1111111111 0.1484 42 H -7.9741 3.3007 0.8755 H 1 UNL1111111111 0.1191 43 H -7.3938 4.2498 -0.5221 H 1 UNL1111111111 0.1462 44 H 3.9279 -0.8283 -1.8779 H 1 UNL1111111111 0.1877 45 H 2.0741 0.2162 1.8608 H 1 UNL1111111111 0.1519 46 H 3.9369 1.7143 2.4069 H 1 UNL1111111111 0.1661 47 H 6.0846 -0.8248 -2.6859 H 1 UNL1111111111 0.1373 48 H 5.1229 0.5729 -3.3113 H 1 UNL1111111111 0.1408 49 H 6.9167 0.6774 -3.2314 H 1 UNL1111111111 0.1533 50 H 5.4007 3.4825 2.1504 H 1 UNL1111111111 0.1363 51 H 6.2664 2.0397 2.8172 H 1 UNL1111111111 0.1352 52 H 7.1743 3.2866 1.9003 H 1 UNL1111111111 0.1571 @BOND 1 1 9 1 2 1 11 1 3 2 22 1 4 2 25 1 5 3 23 1 6 3 26 1 7 4 17 2 8 5 7 1 9 5 18 1 10 5 19 1 11 6 10 1 12 6 17 am 13 6 37 1 14 7 9 1 15 7 27 1 16 7 28 1 17 8 10 1 18 8 12 ar 19 8 13 ar 20 9 29 1 21 9 30 1 22 10 31 1 23 10 32 1 24 11 14 ar 25 11 15 ar 26 12 14 ar 27 12 33 1 28 13 15 ar 29 13 34 1 30 14 35 1 31 15 36 1 32 16 17 1 33 16 20 ar 34 16 21 ar 35 18 38 1 36 18 39 1 37 18 40 1 38 19 41 1 39 19 42 1 40 19 43 1 41 20 22 ar 42 20 44 1 43 21 24 ar 44 21 45 1 45 22 23 ar 46 23 24 ar 47 24 46 1 48 25 47 1 49 25 48 1 50 25 49 1 51 26 50 1 52 26 51 1 53 26 52 1