@MOLECULE 6-({3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3h)-one 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.3935 1.8560 1.0593 C.2 1 UNL1111111111 0.5380 2 N 1.0025 1.3433 0.5900 N.3 1 UNL1111111111 -0.7567 3 O -2.4026 1.6148 1.6933 O.2 1 UNL1111111111 -0.5424 4 C -0.0106 1.5149 1.6393 C.3 1 UNL1111111111 0.0190 5 C 0.4108 2.6590 2.5843 C.3 1 UNL1111111111 -0.2766 6 C -7.6132 -3.4901 0.3080 C.3 1 UNL1111111111 -0.2157 7 C -2.7315 -1.7757 1.7194 C.3 1 UNL1111111111 -0.2200 8 O 8.6579 -1.6444 -0.4283 O.2 1 UNL1111111111 -0.3969 9 O 0.1555 -1.0760 0.4841 O.2 1 UNL1111111111 -0.8963 10 O 0.9196 0.0707 -1.6407 O.2 1 UNL1111111111 -0.9189 11 C -6.0230 -0.1631 -1.7278 C.ar 1 UNL1111111111 -0.2675 12 C -6.6208 -1.2155 -1.0284 C.ar 1 UNL1111111111 -0.1762 13 C 3.0355 -1.3299 1.2826 C.ar 1 UNL1111111111 0.0093 14 C 4.3443 -1.7102 1.5635 C.ar 1 UNL1111111111 -0.2713 15 C -3.9975 -0.4252 -0.3867 C.ar 1 UNL1111111111 -0.3750 16 C 3.6837 -0.4890 -0.9065 C.ar 1 UNL1111111111 0.0047 17 C 0.5875 3.9677 1.8077 C.3 1 UNL1111111111 -0.2669 18 C -2.9012 1.6246 -2.0258 C.3 1 UNL1111111111 -0.0725 19 C 1.5151 3.7453 0.6100 C.3 1 UNL1111111111 -0.2902 20 C -2.7582 2.6048 -0.8417 C.3 1 UNL1111111111 -0.1167 21 C -0.2873 2.8086 -0.9795 C.3 1 UNL1111111111 -0.1217 22 N 6.6788 -1.7781 0.7237 N.ar 1 UNL1111111111 -0.5636 23 O -6.3939 -2.9026 0.7382 O.3 1 UNL1111111111 -0.2743 24 O -4.0278 -2.1902 1.2939 O.3 1 UNL1111111111 -0.2837 25 O -4.2592 1.2476 -2.1605 O.3 1 UNL1111111111 -0.3401 26 S 6.4107 -0.6910 -1.6618 S.2 1 UNL1111111111 0.1128 27 C -4.7223 0.2115 -1.3987 C.ar 1 UNL1111111111 0.2501 28 C 2.7103 -0.7164 0.0689 C.ar 1 UNL1111111111 -0.4346 29 C -5.9230 -1.8738 -0.0293 C.ar 1 UNL1111111111 0.0741 30 C -4.5979 -1.4721 0.2998 C.ar 1 UNL1111111111 0.2347 31 C 7.4804 -1.4451 -0.3861 C.ar 1 UNL1111111111 0.4927 32 C 5.3238 -1.4664 0.5972 C.ar 1 UNL1111111111 0.2440 33 C 4.9886 -0.8611 -0.6377 C.ar 1 UNL1111111111 -0.2469 34 C 1.0685 2.5454 -0.2572 C.3 1 UNL1111111111 0.0779 35 N -1.4617 2.4574 -0.1743 N.am 1 UNL1111111111 -0.4970 36 S 1.0616 -0.2091 -0.2300 S.O2 1 UNL1111111111 2.3509 37 H -0.1166 0.5638 2.2357 H 1 UNL1111111111 0.1847 38 H -0.3494 2.7783 3.3810 H 1 UNL1111111111 0.1558 39 H 1.3568 2.3851 3.0891 H 1 UNL1111111111 0.1506 40 H -8.4457 -2.7906 0.4277 H 1 UNL1111111111 0.1298 41 H -7.5403 -3.8544 -0.7207 H 1 UNL1111111111 0.1311 42 H -7.7191 -4.3323 1.0046 H 1 UNL1111111111 0.1481 43 H -1.9914 -1.9174 0.9208 H 1 UNL1111111111 0.1626 44 H -2.7446 -0.7360 2.0689 H 1 UNL1111111111 0.1542 45 H -2.5352 -2.4609 2.5511 H 1 UNL1111111111 0.1422 46 H -6.5590 0.3569 -2.5146 H 1 UNL1111111111 0.1689 47 H -7.6379 -1.5030 -1.2817 H 1 UNL1111111111 0.1579 48 H 2.2575 -1.5293 2.0330 H 1 UNL1111111111 0.1785 49 H 4.5955 -2.1853 2.5074 H 1 UNL1111111111 0.1716 50 H -2.9963 -0.0976 -0.1234 H 1 UNL1111111111 0.1895 51 H 3.4209 -0.0331 -1.8721 H 1 UNL1111111111 0.1857 52 H -0.3965 4.3470 1.4675 H 1 UNL1111111111 0.1508 53 H 0.9964 4.7533 2.4689 H 1 UNL1111111111 0.1361 54 H -2.7128 2.1136 -2.9998 H 1 UNL1111111111 0.1425 55 H -2.2400 0.7436 -1.9371 H 1 UNL1111111111 0.1544 56 H 1.5700 4.6562 -0.0113 H 1 UNL1111111111 0.1361 57 H 2.5458 3.5553 0.9722 H 1 UNL1111111111 0.1504 58 H -2.8870 3.6552 -1.1780 H 1 UNL1111111111 0.1414 59 H -3.5843 2.4145 -0.1042 H 1 UNL1111111111 0.2011 60 H -0.3537 3.8825 -1.2645 H 1 UNL1111111111 0.1401 61 H -0.3027 2.2162 -1.9305 H 1 UNL1111111111 0.1663 62 H 7.0621 -2.2121 1.5518 H 1 UNL1111111111 0.3376 63 H 1.8497 2.3924 -1.0524 H 1 UNL1111111111 0.1456 @BOND 1 1 3 2 2 1 4 1 3 2 34 1 4 2 4 1 5 4 5 1 6 4 37 1 7 5 38 1 8 5 39 1 9 6 40 1 10 6 41 1 11 6 42 1 12 7 24 1 13 7 43 1 14 7 44 1 15 7 45 1 16 8 31 2 17 11 12 ar 18 11 46 1 19 12 47 1 20 13 28 ar 21 13 48 1 22 14 13 ar 23 14 49 1 24 15 27 ar 25 15 30 ar 26 15 50 1 27 16 28 ar 28 16 51 1 29 17 5 1 30 17 52 1 31 17 53 1 32 18 25 1 33 18 20 1 34 18 54 1 35 18 55 1 36 19 17 1 37 19 56 1 38 19 57 1 39 20 35 1 40 20 58 1 41 20 59 1 42 21 35 1 43 21 34 1 44 21 60 1 45 21 61 1 46 22 32 ar 47 22 62 1 48 23 6 1 49 24 30 1 50 25 27 1 51 26 33 ar 52 27 11 ar 53 28 36 1 54 29 12 ar 55 29 23 1 56 30 29 ar 57 31 22 ar 58 31 26 ar 59 32 14 ar 60 32 33 ar 61 33 16 ar 62 34 19 1 63 34 63 1 64 35 1 am 65 36 2 1 66 36 9 2 67 36 10 2