@MOLECULE n-allyl-6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]-n-methyl-1-hexanamine 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 C 13.1818 -2.6355 -0.5316 C.2 1 UNL1111111111 -0.3561 2 C 11.8709 -2.4676 -0.3688 C.2 1 UNL1111111111 -0.1037 3 C 11.1757 -1.1677 -0.6629 C.3 1 UNL1111111111 -0.1368 4 N 10.0028 -1.0276 0.2399 N.3 1 UNL1111111111 -0.4100 5 C 9.0866 0.0362 -0.2426 C.3 1 UNL1111111111 -0.1185 6 C 7.6976 -0.1859 0.3870 C.3 1 UNL1111111111 -0.2794 7 C 6.6698 0.7592 -0.2423 C.3 1 UNL1111111111 -0.2729 8 C 5.2903 0.5454 0.3945 C.3 1 UNL1111111111 -0.2640 9 C 4.2475 1.4484 -0.2695 C.3 1 UNL1111111111 -0.2949 10 C 2.8677 1.1851 0.3357 C.3 1 UNL1111111111 -0.0443 11 O 1.9974 1.9740 -0.4840 O.3 1 UNL1111111111 -0.3432 12 C 0.6667 1.8857 -0.2525 C.ar 1 UNL1111111111 0.2804 13 C -0.0943 2.6601 -1.1469 C.ar 1 UNL1111111111 -0.2584 14 C -1.4736 2.6568 -1.0272 C.ar 1 UNL1111111111 -0.0396 15 N -4.2465 2.9617 0.2104 N.ar 1 UNL1111111111 -0.4189 16 C -3.5507 1.8670 0.0693 C.ar 1 UNL1111111111 0.1713 17 C -2.0920 1.8794 -0.0374 C.ar 1 UNL1111111111 -0.1162 18 C -1.3229 1.1293 0.8525 C.ar 1 UNL1111111111 -0.0581 19 C 0.0660 1.1249 0.7526 C.ar 1 UNL1111111111 -0.3085 20 C -4.3289 0.6202 0.0170 C.ar 1 UNL1111111111 -0.1169 21 C -3.8661 -0.6831 -0.1601 C.ar 1 UNL1111111111 -0.0833 22 C -4.7842 -1.7259 -0.1851 C.ar 1 UNL1111111111 -0.1791 23 S -5.9588 2.6048 0.3141 S.2 1 UNL1111111111 0.3531 24 C -6.1462 -1.4446 -0.0371 C.ar 1 UNL1111111111 0.0108 25 C -6.6392 -0.1593 0.1287 C.ar 1 UNL1111111111 -0.1648 26 C -5.7095 0.8764 0.1497 C.ar 1 UNL1111111111 -0.1263 27 BR -7.3746 -2.8915 -0.0700 Br 1 UNL1111111111 -0.0455 28 C 10.4477 -0.7616 1.6247 C.3 1 UNL1111111111 -0.2791 29 H 13.6862 -3.5712 -0.3490 H 1 UNL1111111111 0.1482 30 H 13.8548 -1.8601 -0.8589 H 1 UNL1111111111 0.1444 31 H 11.2090 -3.2671 -0.0316 H 1 UNL1111111111 0.1598 32 H 10.8093 -1.2014 -1.7178 H 1 UNL1111111111 0.1503 33 H 11.8748 -0.3062 -0.5978 H 1 UNL1111111111 0.1244 34 H 9.4536 1.0594 -0.0198 H 1 UNL1111111111 0.1146 35 H 8.9988 -0.0408 -1.3489 H 1 UNL1111111111 0.1356 36 H 7.3989 -1.2434 0.2427 H 1 UNL1111111111 0.1567 37 H 7.7420 -0.0345 1.4803 H 1 UNL1111111111 0.1381 38 H 6.9884 1.8108 -0.1154 H 1 UNL1111111111 0.1378 39 H 6.6139 0.5872 -1.3344 H 1 UNL1111111111 0.1402 40 H 4.9949 -0.5173 0.2968 H 1 UNL1111111111 0.1403 41 H 5.3400 0.7503 1.4811 H 1 UNL1111111111 0.1385 42 H 4.5177 2.5157 -0.1537 H 1 UNL1111111111 0.1544 43 H 4.2150 1.2709 -1.3634 H 1 UNL1111111111 0.1576 44 H 2.5776 0.1229 0.2627 H 1 UNL1111111111 0.1284 45 H 2.7918 1.5337 1.3794 H 1 UNL1111111111 0.1297 46 H 0.4087 3.2485 -1.9101 H 1 UNL1111111111 0.1757 47 H -2.0879 3.2604 -1.6992 H 1 UNL1111111111 0.1669 48 H -1.8102 0.5498 1.6382 H 1 UNL1111111111 0.1563 49 H 0.6533 0.5432 1.4535 H 1 UNL1111111111 0.1645 50 H -2.7986 -0.8748 -0.2831 H 1 UNL1111111111 0.1715 51 H -4.4358 -2.7507 -0.3211 H 1 UNL1111111111 0.1761 52 H -7.7060 0.0379 0.2364 H 1 UNL1111111111 0.1788 53 H 11.1419 -1.5576 1.9432 H 1 UNL1111111111 0.1498 54 H 10.9482 0.2078 1.7631 H 1 UNL1111111111 0.1188 55 H 9.5747 -0.8057 2.2960 H 1 UNL1111111111 0.1451 @BOND 1 1 2 2 2 1 29 1 3 1 30 1 4 2 3 1 5 2 31 1 6 3 4 1 7 3 32 1 8 3 33 1 9 4 5 1 10 4 28 1 11 5 6 1 12 5 34 1 13 5 35 1 14 6 7 1 15 6 36 1 16 6 37 1 17 7 8 1 18 7 38 1 19 7 39 1 20 8 9 1 21 8 40 1 22 8 41 1 23 9 10 1 24 9 42 1 25 9 43 1 26 10 11 1 27 10 44 1 28 10 45 1 29 11 12 1 30 12 13 ar 31 12 19 ar 32 13 14 ar 33 13 46 1 34 14 17 ar 35 14 47 1 36 15 16 ar 37 15 23 ar 38 16 17 1 39 16 20 ar 40 17 18 ar 41 18 19 ar 42 18 48 1 43 19 49 1 44 20 21 ar 45 20 26 ar 46 21 22 ar 47 21 50 1 48 22 24 ar 49 22 51 1 50 23 26 ar 51 24 25 ar 52 24 27 1 53 25 26 ar 54 25 52 1 55 28 53 1 56 28 54 1 57 28 55 1