@MOLECULE 6-chloro-n-[(2s)-3-(1,1-dioxido-4-thiomorpholinyl)-3-oxo-2-({[1-(4-pyridinyl)-4-piperidinyl]methyl}amino)propyl]-2-naphthalenesulfonamide 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.3108 1.0999 -0.9287 C.2 1 UNL1111 0.5327 2 O 0.8309 1.2855 -2.0161 O.2 1 UNL1111 -0.5663 3 N -0.4731 -0.0162 -0.7383 N.am 1 UNL1111 -0.5129 4 C -0.8111 -0.8496 -1.9049 C.3 1 UNL1111 -0.0568 5 C -0.3973 -2.3074 -1.6847 C.3 1 UNL1111 -0.6095 6 S -1.1778 -2.9692 -0.2141 S.O2 1 UNL1111 2.2204 7 O -0.4849 -4.1743 0.1761 O.2 1 UNL1111 -0.8865 8 O -2.6104 -2.9740 -0.4471 O.2 1 UNL1111 -0.9334 9 C -1.2124 -0.3170 0.4906 C.3 1 UNL1111 -0.0566 10 C -0.8493 -1.7067 1.0257 C.3 1 UNL1111 -0.6247 11 C -4.2953 1.5896 0.8858 C.ar 1 UNL1111 -0.0552 12 C -3.7558 2.2417 -0.1938 C.ar 1 UNL1111 -0.3817 13 C -4.6724 -0.3892 -0.5016 C.ar 1 UNL1111 0.0385 14 C -4.2004 0.3475 -1.6241 C.ar 1 UNL1111 -0.1826 15 C -3.7446 1.6313 -1.4722 C.ar 1 UNL1111 -0.0876 16 C -4.7559 0.2509 0.7571 C.ar 1 UNL1111 -0.0672 17 C -5.2466 -0.4674 1.8830 C.ar 1 UNL1111 -0.1424 18 C -5.0222 -1.7627 -0.6096 C.ar 1 UNL1111 -0.1470 19 C -5.5922 -1.7886 1.7675 C.ar 1 UNL1111 -0.1746 20 C -5.4554 -2.4184 0.5097 C.ar 1 UNL1111 0.0520 21 CL -5.8510 -4.0744 0.4092 Cl 1 UNL1111 -0.0585 22 S -3.0021 3.8128 0.0175 S.O2 1 UNL1111 2.3487 23 O -2.7369 4.3946 -1.2739 O.2 1 UNL1111 -0.8964 24 N -1.4709 3.3496 0.7288 N.3 1 UNL1111 -0.8811 25 C 0.5769 2.1008 0.2070 C.3 1 UNL1111 -0.0457 26 C -0.2496 3.3939 -0.0850 C.3 1 UNL1111 -0.0758 27 N 1.9998 2.4744 0.2279 N.3 1 UNL1111 -0.5415 28 O -3.6763 4.5334 1.0707 O.2 1 UNL1111 -0.9044 29 C 2.8358 1.4438 0.8890 C.3 1 UNL1111 -0.1405 30 C 7.6000 -2.5554 -1.2183 C.ar 1 UNL1111 0.1056 31 N 7.0706 0.8204 0.2182 N.pl3 1 UNL1111 -0.4016 32 C 7.2415 -0.5668 0.1128 C.ar 1 UNL1111 0.2862 33 C 7.2955 -1.1969 -1.1493 C.ar 1 UNL1111 -0.3664 34 C 6.6593 1.3643 1.5290 C.3 1 UNL1111 -0.0905 35 C 7.4901 -1.3678 1.2478 C.ar 1 UNL1111 -0.3753 36 C 6.3157 1.5022 -0.8552 C.3 1 UNL1111 -0.0867 37 C 4.3267 1.7806 0.6729 C.3 1 UNL1111 -0.0954 38 C 5.1601 1.1315 1.7914 C.3 1 UNL1111 -0.3251 39 N 7.8424 -3.3153 -0.1320 N.ar 1 UNL1111 -0.4243 40 C 7.7891 -2.7193 1.0745 C.ar 1 UNL1111 0.1063 41 C 4.7990 1.2842 -0.7037 C.3 1 UNL1111 -0.3268 42 H -1.9059 -0.7679 -2.1154 H 1 UNL1111 0.1497 43 H -0.2925 -0.4462 -2.8134 H 1 UNL1111 0.1819 44 H -0.6706 -2.9130 -2.5712 H 1 UNL1111 0.1893 45 H 0.7056 -2.3934 -1.6128 H 1 UNL1111 0.1928 46 H -1.0104 0.4543 1.2706 H 1 UNL1111 0.1556 47 H -2.3134 -0.2485 0.2909 H 1 UNL1111 0.1666 48 H -1.4332 -1.9192 1.9418 H 1 UNL1111 0.1859 49 H 0.2099 -1.7474 1.3420 H 1 UNL1111 0.1874 50 H -4.3736 2.0676 1.8693 H 1 UNL1111 0.1718 51 H -4.2065 -0.1336 -2.6014 H 1 UNL1111 0.1610 52 H -3.3707 2.1895 -2.3399 H 1 UNL1111 0.1809 53 H -5.3348 0.0495 2.8381 H 1 UNL1111 0.1596 54 H -4.8889 -2.2806 -1.5621 H 1 UNL1111 0.1893 55 H -5.9587 -2.3556 2.6240 H 1 UNL1111 0.1758 56 H -1.3160 3.7120 1.6699 H 1 UNL1111 0.3041 57 H 0.2916 1.6928 1.2088 H 1 UNL1111 0.1644 58 H -0.4719 3.4744 -1.1755 H 1 UNL1111 0.1759 59 H 0.3782 4.2846 0.1614 H 1 UNL1111 0.1605 60 H 2.3315 2.6662 -0.7239 H 1 UNL1111 0.2809 61 H 2.5926 1.4690 1.9751 H 1 UNL1111 0.1428 62 H 2.6180 0.4147 0.5327 H 1 UNL1111 0.1226 63 H 7.6542 -3.0794 -2.1809 H 1 UNL1111 0.1679 64 H 7.1178 -0.6433 -2.0639 H 1 UNL1111 0.1714 65 H 6.8909 2.4550 1.5272 H 1 UNL1111 0.1509 66 H 7.2820 0.9289 2.3386 H 1 UNL1111 0.1467 67 H 7.4613 -0.9556 2.2486 H 1 UNL1111 0.1682 68 H 6.5625 2.5878 -0.8014 H 1 UNL1111 0.1505 69 H 6.6695 1.1628 -1.8516 H 1 UNL1111 0.1496 70 H 4.4543 2.8907 0.7269 H 1 UNL1111 0.1556 71 H 4.8797 1.5504 2.7743 H 1 UNL1111 0.1471 72 H 4.9536 0.0459 1.8461 H 1 UNL1111 0.1517 73 H 7.9942 -3.3719 1.9324 H 1 UNL1111 0.1671 74 H 4.5612 0.2110 -0.8306 H 1 UNL1111 0.1520 75 H 4.2598 1.8085 -1.5139 H 1 UNL1111 0.1531 @BOND 1 1 2 2 2 1 3 am 3 1 25 1 4 3 4 1 5 3 9 1 6 4 5 1 7 4 42 1 8 4 43 1 9 5 6 1 10 5 44 1 11 5 45 1 12 6 7 2 13 6 8 2 14 6 10 1 15 9 10 1 16 9 46 1 17 9 47 1 18 10 48 1 19 10 49 1 20 11 12 ar 21 11 16 ar 22 11 50 1 23 12 15 ar 24 12 22 1 25 13 14 ar 26 13 16 ar 27 13 18 ar 28 14 15 ar 29 14 51 1 30 15 52 1 31 16 17 ar 32 17 19 ar 33 17 53 1 34 18 20 ar 35 18 54 1 36 19 20 ar 37 19 55 1 38 20 21 1 39 22 23 2 40 22 24 1 41 22 28 2 42 24 26 1 43 24 56 1 44 25 26 1 45 25 27 1 46 25 57 1 47 26 58 1 48 26 59 1 49 27 29 1 50 27 60 1 51 29 37 1 52 29 61 1 53 29 62 1 54 30 33 ar 55 30 39 ar 56 30 63 1 57 31 32 1 58 31 34 1 59 31 36 1 60 32 33 ar 61 32 35 ar 62 33 64 1 63 34 38 1 64 34 65 1 65 34 66 1 66 35 40 ar 67 35 67 1 68 36 41 1 69 36 68 1 70 36 69 1 71 37 38 1 72 37 41 1 73 37 70 1 74 38 71 1 75 38 72 1 76 39 40 ar 77 40 73 1 78 41 74 1 79 41 75 1