@MOLECULE n-{3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl}-1,2-benzothiazol-3-amine 1,1-dioxide 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6282 -1.7835 -0.5972 S.O2 1 UNL1111111111 2.3108 2 O 4.0884 -0.5451 -0.9026 O.3 1 UNL1111111111 -0.3531 3 O -3.2231 -0.8179 -1.4839 O.2 1 UNL1111111111 -0.8676 4 O -3.2975 -3.0280 -0.3289 O.2 1 UNL1111111111 -0.8634 5 N -0.4132 2.0973 -0.8429 N.3 1 UNL1111111111 -0.4121 6 N 1.1997 -1.8290 -0.0655 N.pl3 1 UNL1111111111 -0.4855 7 N -0.9516 -2.0546 -1.0155 N.2 1 UNL1111111111 -0.7872 8 C -1.5419 2.4875 0.0381 C.3 1 UNL1111111111 -0.1120 9 C -0.9723 2.1578 -2.2192 C.3 1 UNL1111111111 -0.1069 10 C -2.4632 3.4442 -0.7564 C.3 1 UNL1111111111 -0.2978 11 C -2.0866 3.2321 -2.2352 C.3 1 UNL1111111111 -0.2964 12 C 0.7766 2.9635 -0.6500 C.3 1 UNL1111111111 -0.1442 13 C 1.8120 2.0974 0.0268 C.ar 1 UNL1111111111 0.0802 14 C 2.5247 1.1711 -0.7301 C.ar 1 UNL1111111111 -0.2507 15 C 2.0241 2.1934 1.4058 C.ar 1 UNL1111111111 -0.2361 16 C 3.4266 0.3243 -0.0793 C.ar 1 UNL1111111111 0.2327 17 C 3.2280 -2.8005 -1.1051 C.3 1 UNL1111111111 -0.3375 18 C 1.8539 -2.1642 -1.3457 C.3 1 UNL1111111111 -0.0577 19 C -0.8205 -0.9694 1.1138 C.ar 1 UNL1111111111 -0.0819 20 C -0.1552 -1.6266 -0.0650 C.2 1 UNL1111111111 0.4140 21 C -2.2152 -0.9802 0.9584 C.ar 1 UNL1111111111 -0.3565 22 C 2.9491 1.3608 2.0291 C.ar 1 UNL1111111111 -0.0852 23 C 4.2469 -1.8775 -0.4244 C.3 1 UNL1111111111 -0.0431 24 C 3.6557 0.4103 1.2948 C.ar 1 UNL1111111111 -0.3087 25 C -0.2321 -0.3739 2.2129 C.ar 1 UNL1111111111 -0.1183 26 C -3.0387 -0.4065 1.8994 C.ar 1 UNL1111111111 -0.0760 27 C -1.0665 0.2174 3.1727 C.ar 1 UNL1111111111 -0.1268 28 C -2.4478 0.2008 3.0202 C.ar 1 UNL1111111111 -0.1453 29 H -1.1935 2.9226 0.9882 H 1 UNL1111111111 0.1223 30 H -2.0848 1.5488 0.2896 H 1 UNL1111111111 0.1537 31 H -1.4072 1.1485 -2.4223 H 1 UNL1111111111 0.1738 32 H -0.1963 2.3372 -2.9807 H 1 UNL1111111111 0.1255 33 H -3.5231 3.2090 -0.5738 H 1 UNL1111111111 0.1430 34 H -2.3140 4.4897 -0.4512 H 1 UNL1111111111 0.1292 35 H -1.7400 4.1664 -2.6987 H 1 UNL1111111111 0.1297 36 H -2.9520 2.8873 -2.8241 H 1 UNL1111111111 0.1479 37 H 0.5570 3.8688 -0.0448 H 1 UNL1111111111 0.1372 38 H 1.1726 3.3480 -1.6152 H 1 UNL1111111111 0.1485 39 H 2.3677 1.0824 -1.8028 H 1 UNL1111111111 0.1794 40 H 1.4633 2.9177 1.9904 H 1 UNL1111111111 0.1588 41 H 3.6253 -3.1292 -2.0877 H 1 UNL1111111111 0.1563 42 H 3.1129 -3.7237 -0.5014 H 1 UNL1111111111 0.1595 43 H 1.1969 -2.8762 -1.9085 H 1 UNL1111111111 0.1820 44 H 1.9504 -1.2510 -1.9797 H 1 UNL1111111111 0.1519 45 H 3.1259 1.4530 3.1005 H 1 UNL1111111111 0.1510 46 H 5.2827 -2.1195 -0.7349 H 1 UNL1111111111 0.1450 47 H 4.1850 -1.9431 0.6735 H 1 UNL1111111111 0.1264 48 H 4.3890 -0.2243 1.7809 H 1 UNL1111111111 0.1646 49 H 1.7609 -1.2859 0.5805 H 1 UNL1111111111 0.3044 50 H 0.8484 -0.3408 2.3382 H 1 UNL1111111111 0.1559 51 H -4.1248 -0.4099 1.7942 H 1 UNL1111111111 0.1644 52 H -0.6199 0.6952 4.0436 H 1 UNL1111111111 0.1504 53 H -3.0830 0.6631 3.7739 H 1 UNL1111111111 0.1514 @BOND 1 1 3 2 2 1 4 2 3 1 7 1 4 1 21 1 5 2 16 1 6 2 23 1 7 5 8 1 8 5 9 1 9 5 12 1 10 6 18 1 11 6 20 1 12 6 49 1 13 7 20 2 14 8 10 1 15 8 29 1 16 8 30 1 17 9 11 1 18 9 31 1 19 9 32 1 20 10 11 1 21 10 33 1 22 10 34 1 23 11 35 1 24 11 36 1 25 12 13 1 26 12 37 1 27 12 38 1 28 13 14 ar 29 13 15 ar 30 14 16 ar 31 14 39 1 32 15 22 ar 33 15 40 1 34 16 24 ar 35 17 18 1 36 17 23 1 37 17 41 1 38 17 42 1 39 18 43 1 40 18 44 1 41 19 20 1 42 19 21 ar 43 19 25 ar 44 21 26 ar 45 22 24 ar 46 22 45 1 47 23 46 1 48 23 47 1 49 24 48 1 50 25 27 ar 51 25 50 1 52 26 28 ar 53 26 51 1 54 27 28 ar 55 27 52 1 56 28 53 1