@MOLECULE zolantidine 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.7655 -1.1232 2.1458 S.2 1 UNL1111111111 0.0518 2 O -0.4041 3.0336 -0.5956 O.3 1 UNL1111111111 -0.3462 3 N 3.4890 -0.2717 -0.2754 N.3 1 UNL1111111111 -0.4179 4 N -2.0832 1.6406 2.1328 N.pl3 1 UNL1111111111 -0.4938 5 N -2.6695 0.4079 0.1715 N.ar 1 UNL1111111111 -0.4997 6 C 2.5201 -1.2435 0.2925 C.3 1 UNL1111111111 -0.1093 7 C 4.8865 -0.7240 -0.0543 C.3 1 UNL1111111111 -0.1095 8 C 2.7513 -1.3836 1.8089 C.3 1 UNL1111111111 -0.2638 9 C 5.1597 -0.8519 1.4569 C.3 1 UNL1111111111 -0.2752 10 C 4.1838 -1.8499 2.0888 C.3 1 UNL1111111111 -0.2702 11 C 3.2484 -0.0658 -1.7309 C.3 1 UNL1111111111 -0.1405 12 C 1.8720 0.5022 -1.9647 C.ar 1 UNL1111111111 0.0634 13 C 1.4276 1.5505 -1.1619 C.ar 1 UNL1111111111 -0.2986 14 C 1.0559 -0.0053 -2.9749 C.ar 1 UNL1111111111 -0.2474 15 C 0.1402 2.0428 -1.3552 C.ar 1 UNL1111111111 0.2534 16 C -0.2143 0.5371 -3.1838 C.ar 1 UNL1111111111 -0.0774 17 C -0.6906 1.5625 -2.3777 C.ar 1 UNL1111111111 -0.2360 18 C 0.1467 3.1695 0.7199 C.3 1 UNL1111111111 -0.0344 19 C -0.9842 3.8108 1.5271 C.3 1 UNL1111111111 -0.3310 20 C -2.2631 2.9605 1.5032 C.3 1 UNL1111111111 -0.0637 21 C -2.1885 0.5031 1.3959 C.ar 1 UNL1111111111 0.3227 22 C -2.3142 -1.9051 0.6707 C.ar 1 UNL1111111111 -0.2115 23 C -2.7362 -0.9220 -0.2620 C.ar 1 UNL1111111111 0.1903 24 C -2.3710 -3.2528 0.3511 C.ar 1 UNL1111111111 -0.0908 25 C -3.1904 -1.3044 -1.5278 C.ar 1 UNL1111111111 -0.1718 26 C -2.8328 -3.6261 -0.9089 C.ar 1 UNL1111111111 -0.1907 27 C -3.2312 -2.6571 -1.8378 C.ar 1 UNL1111111111 -0.1108 28 H 2.5782 -2.2409 -0.1968 H 1 UNL1111111111 0.1126 29 H 1.4956 -0.8473 0.1063 H 1 UNL1111111111 0.1497 30 H 5.5653 0.0433 -0.4882 H 1 UNL1111111111 0.1310 31 H 5.1099 -1.6868 -0.5606 H 1 UNL1111111111 0.1103 32 H 2.5735 -0.4073 2.3002 H 1 UNL1111111111 0.1456 33 H 2.0164 -2.0874 2.2372 H 1 UNL1111111111 0.1356 34 H 5.0412 0.1397 1.9327 H 1 UNL1111111111 0.1487 35 H 6.2051 -1.1611 1.6241 H 1 UNL1111111111 0.1277 36 H 4.3630 -1.9319 3.1754 H 1 UNL1111111111 0.1288 37 H 4.3459 -2.8625 1.6774 H 1 UNL1111111111 0.1333 38 H 4.0010 0.6792 -2.0929 H 1 UNL1111111111 0.1523 39 H 3.4058 -0.9887 -2.3300 H 1 UNL1111111111 0.1229 40 H 2.0901 1.9480 -0.3938 H 1 UNL1111111111 0.1800 41 H 1.4003 -0.8238 -3.5982 H 1 UNL1111111111 0.1519 42 H -0.8452 0.1379 -3.9777 H 1 UNL1111111111 0.1474 43 H -1.6879 1.9720 -2.4963 H 1 UNL1111111111 0.1738 44 H 0.4351 2.1915 1.1360 H 1 UNL1111111111 0.1372 45 H 1.0335 3.8225 0.6471 H 1 UNL1111111111 0.1293 46 H -0.6445 4.0000 2.5596 H 1 UNL1111111111 0.1439 47 H -1.2228 4.8091 1.0943 H 1 UNL1111111111 0.1633 48 H -2.6172 2.8332 0.4453 H 1 UNL1111111111 0.1974 49 H -3.0731 3.4914 2.0559 H 1 UNL1111111111 0.1392 50 H -1.5580 1.6316 2.9968 H 1 UNL1111111111 0.3130 51 H -2.0600 -4.0161 1.0627 H 1 UNL1111111111 0.1562 52 H -3.4988 -0.5425 -2.2407 H 1 UNL1111111111 0.1747 53 H -2.8816 -4.6784 -1.1782 H 1 UNL1111111111 0.1524 54 H -3.5792 -2.9712 -2.8212 H 1 UNL1111111111 0.1502 @BOND 1 1 21 ar 2 1 22 ar 3 2 15 1 4 2 18 1 5 3 6 1 6 3 7 1 7 3 11 1 8 4 20 1 9 4 21 1 10 4 50 1 11 5 21 ar 12 5 23 ar 13 6 8 1 14 6 28 1 15 6 29 1 16 7 9 1 17 7 30 1 18 7 31 1 19 8 10 1 20 8 32 1 21 8 33 1 22 9 10 1 23 9 34 1 24 9 35 1 25 10 36 1 26 10 37 1 27 11 12 1 28 11 38 1 29 11 39 1 30 12 13 ar 31 12 14 ar 32 13 15 ar 33 13 40 1 34 14 16 ar 35 14 41 1 36 15 17 ar 37 16 17 ar 38 16 42 1 39 17 43 1 40 18 19 1 41 18 44 1 42 18 45 1 43 19 20 1 44 19 46 1 45 19 47 1 46 20 48 1 47 20 49 1 48 22 23 ar 49 22 24 ar 50 23 25 ar 51 24 26 ar 52 24 51 1 53 25 27 ar 54 25 52 1 55 26 27 ar 56 26 53 1 57 27 54 1