@MOLECULE 2-{4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl}-1-isoindolinone 55 59 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.5684 -1.2322 -0.8225 S.2 1 UNL111111111 0.3371 2 O 4.7288 0.7861 -2.2958 O.2 1 UNL111111111 -0.4733 3 N 0.9046 -2.1015 0.3081 N.3 1 UNL111111111 -0.4211 4 N -1.8255 -1.2669 0.2661 N.pl3 1 UNL111111111 -0.4013 5 N 5.0667 0.2972 -0.0627 N.am 1 UNL111111111 -0.4978 6 N -3.9625 -1.8946 -0.5910 N.ar 1 UNL111111111 -0.5238 7 C 0.5432 -0.6621 0.2963 C.3 1 UNL111111111 -0.1241 8 C -0.1378 -2.8575 1.0458 C.3 1 UNL111111111 -0.1210 9 C 2.2508 -2.3109 0.8897 C.3 1 UNL111111111 -0.1168 10 C -0.7872 -0.5058 -0.4738 C.3 1 UNL111111111 -0.0990 11 C -1.4801 -2.7099 0.2899 C.3 1 UNL111111111 -0.0944 12 C 3.2912 -2.1798 -0.2437 C.3 1 UNL111111111 -0.2762 13 C 4.7200 -2.1961 0.3104 C.3 1 UNL111111111 -0.3144 14 C 5.6090 -1.0511 -0.2258 C.3 1 UNL111111111 -0.0640 15 C -3.1468 -0.9789 -0.1195 C.ar 1 UNL111111111 0.3097 16 C 4.4258 0.6772 1.2243 C.3 1 UNL111111111 -0.1051 17 C 3.2577 1.5377 0.8157 C.ar 1 UNL111111111 0.0031 18 C 4.3839 0.9037 -1.1483 C.2 1 UNL111111111 0.5729 19 C 3.2624 1.6957 -0.5835 C.ar 1 UNL111111111 -0.1771 20 C -3.7382 0.3557 0.1094 C.ar 1 UNL111111111 -0.1217 21 C -5.0949 0.3669 -0.2694 C.ar 1 UNL111111111 -0.1206 22 C 2.2602 2.1004 1.5853 C.ar 1 UNL111111111 -0.1938 23 C 2.2752 2.4108 -1.2348 C.ar 1 UNL111111111 -0.0619 24 C -3.1601 1.4922 0.6702 C.ar 1 UNL111111111 -0.0880 25 C 1.2509 2.8167 0.9295 C.ar 1 UNL111111111 -0.0969 26 C 1.2532 2.9673 -0.4553 C.ar 1 UNL111111111 -0.1784 27 C -5.8652 1.5195 -0.1523 C.ar 1 UNL111111111 -0.1587 28 C -3.9318 2.6422 0.7995 C.ar 1 UNL111111111 -0.1757 29 C -5.2696 2.6574 0.3802 C.ar 1 UNL111111111 -0.1122 30 H 0.4449 -0.2309 1.3162 H 1 UNL111111111 0.1275 31 H 1.3397 -0.0933 -0.2311 H 1 UNL111111111 0.1481 32 H 0.1490 -3.9322 1.0629 H 1 UNL111111111 0.1393 33 H -0.2570 -2.5165 2.0955 H 1 UNL111111111 0.1262 34 H 2.4746 -1.5997 1.7117 H 1 UNL111111111 0.1084 35 H 2.3179 -3.3296 1.3283 H 1 UNL111111111 0.1351 36 H -1.0664 0.5642 -0.5412 H 1 UNL111111111 0.1399 37 H -0.6654 -0.8869 -1.5145 H 1 UNL111111111 0.1514 38 H -2.2828 -3.2753 0.8126 H 1 UNL111111111 0.1563 39 H -1.3951 -3.1361 -0.7345 H 1 UNL111111111 0.1512 40 H 3.1399 -2.9999 -0.9731 H 1 UNL111111111 0.1577 41 H 3.0944 -1.2628 -0.8307 H 1 UNL111111111 0.1543 42 H 5.2065 -3.1588 0.0544 H 1 UNL111111111 0.1481 43 H 4.7136 -2.1716 1.4159 H 1 UNL111111111 0.1371 44 H 5.8134 -1.2091 -1.3147 H 1 UNL111111111 0.1687 45 H 6.5977 -1.0807 0.2895 H 1 UNL111111111 0.1419 46 H 4.1140 -0.1990 1.8272 H 1 UNL111111111 0.1556 47 H 5.1695 1.2513 1.8245 H 1 UNL111111111 0.1682 48 H 2.2481 1.9903 2.6666 H 1 UNL111111111 0.1598 49 H 2.2911 2.5238 -2.3183 H 1 UNL111111111 0.1726 50 H -2.1276 1.4710 1.0178 H 1 UNL111111111 0.1640 51 H 0.4447 3.2609 1.5165 H 1 UNL111111111 0.1531 52 H 0.4542 3.5263 -0.9404 H 1 UNL111111111 0.1607 53 H -6.9079 1.5354 -0.4609 H 1 UNL111111111 0.1629 54 H -3.4992 3.5392 1.2369 H 1 UNL111111111 0.1549 55 H -5.8496 3.5729 0.4821 H 1 UNL111111111 0.1513 @BOND 1 1 6 ar 2 1 21 ar 3 2 18 2 4 3 7 1 5 3 8 1 6 3 9 1 7 4 10 1 8 4 11 1 9 4 15 1 10 5 14 1 11 5 16 1 12 5 18 am 13 6 15 ar 14 7 10 1 15 7 30 1 16 7 31 1 17 8 11 1 18 8 32 1 19 8 33 1 20 9 12 1 21 9 34 1 22 9 35 1 23 10 36 1 24 10 37 1 25 11 38 1 26 11 39 1 27 12 13 1 28 12 40 1 29 12 41 1 30 13 14 1 31 13 42 1 32 13 43 1 33 14 44 1 34 14 45 1 35 15 20 ar 36 16 17 1 37 16 46 1 38 16 47 1 39 17 19 ar 40 17 22 ar 41 18 19 1 42 19 23 ar 43 20 21 ar 44 20 24 ar 45 21 27 ar 46 22 25 ar 47 22 48 1 48 23 26 ar 49 23 49 1 50 24 28 ar 51 24 50 1 52 25 26 ar 53 25 51 1 54 26 52 1 55 27 29 ar 56 27 53 1 57 28 29 ar 58 28 54 1 59 29 55 1