@MOLECULE 3-({(2r)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl}sulfonyl)phenol 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4119 -0.1005 -1.2539 S.O2 1 UNL1111111111 2.3536 2 O -1.5510 0.1921 -2.3757 O.2 1 UNL1111111111 -0.8863 3 O -3.8192 -0.3857 -1.4303 O.2 1 UNL1111111111 -0.9110 4 O 1.6004 -2.1982 1.0505 O.3 1 UNL1111111111 -0.5113 5 N -2.3292 1.2690 -0.1869 N.3 1 UNL1111111111 -0.8131 6 N 2.1261 0.9458 0.2787 N.3 1 UNL1111111111 -0.4466 7 C -1.1468 1.5436 0.6583 C.3 1 UNL1111111111 0.1227 8 C -1.6465 2.4953 1.7773 C.3 1 UNL1111111111 -0.2933 9 C -0.0342 2.1765 -0.1999 C.3 1 UNL1111111111 -0.3244 10 C -3.1550 2.2276 1.8772 C.3 1 UNL1111111111 -0.2943 11 C -3.5591 1.7609 0.4627 C.3 1 UNL1111111111 -0.0385 12 C 1.3186 2.1788 0.5292 C.3 1 UNL1111111111 -0.1240 13 C 4.6254 -0.4440 -0.5060 C.3 1 UNL1111111111 -0.0726 14 C 2.5444 0.8724 -1.1463 C.3 1 UNL1111111111 -0.1189 15 C 3.3251 0.9912 1.1644 C.3 1 UNL1111111111 -0.1210 16 C 3.3694 -0.4003 -1.3896 C.3 1 UNL1111111111 -0.2989 17 C 4.2225 -0.2409 0.9633 C.3 1 UNL1111111111 -0.3016 18 C 5.6630 0.5921 -0.9499 C.3 1 UNL1111111111 -0.4549 19 C -1.6693 -1.4119 -0.3345 C.ar 1 UNL1111111111 -0.3148 20 C -0.2973 -1.3586 -0.1297 C.ar 1 UNL1111111111 -0.2507 21 C -2.4290 -2.4296 0.2318 C.ar 1 UNL1111111111 -0.1537 22 C 0.2895 -2.2877 0.7324 C.ar 1 UNL1111111111 0.2906 23 C -1.8104 -3.3947 1.0336 C.ar 1 UNL1111111111 -0.1116 24 C -0.4489 -3.3277 1.3078 C.ar 1 UNL1111111111 -0.2152 25 H -0.7574 0.6088 1.1409 H 1 UNL1111111111 0.1290 26 H -1.4537 3.5490 1.5165 H 1 UNL1111111111 0.1440 27 H -1.1282 2.3047 2.7273 H 1 UNL1111111111 0.1352 28 H -0.3188 3.2101 -0.4756 H 1 UNL1111111111 0.1540 29 H 0.0371 1.6547 -1.1789 H 1 UNL1111111111 0.1840 30 H -3.3714 1.4494 2.6273 H 1 UNL1111111111 0.1381 31 H -3.7136 3.1229 2.1851 H 1 UNL1111111111 0.1373 32 H -4.3641 0.9971 0.4971 H 1 UNL1111111111 0.1431 33 H -3.9476 2.6127 -0.1409 H 1 UNL1111111111 0.1372 34 H 1.1452 2.2475 1.6266 H 1 UNL1111111111 0.1379 35 H 1.8822 3.0952 0.2446 H 1 UNL1111111111 0.1159 36 H 5.0876 -1.4591 -0.6042 H 1 UNL1111111111 0.1337 37 H 3.1202 1.7667 -1.4649 H 1 UNL1111111111 0.1175 38 H 1.6271 0.8424 -1.7812 H 1 UNL1111111111 0.1551 39 H 2.9646 1.0106 2.2172 H 1 UNL1111111111 0.1356 40 H 3.9246 1.9142 1.0084 H 1 UNL1111111111 0.1193 41 H 2.7451 -1.2955 -1.1953 H 1 UNL1111111111 0.1484 42 H 3.6479 -0.4596 -2.4581 H 1 UNL1111111111 0.1446 43 H 5.1255 -0.1383 1.5943 H 1 UNL1111111111 0.1424 44 H 3.7119 -1.1510 1.3379 H 1 UNL1111111111 0.1480 45 H 5.2844 1.6148 -0.8547 H 1 UNL1111111111 0.1436 46 H 6.5758 0.5229 -0.3482 H 1 UNL1111111111 0.1432 47 H 5.9480 0.4439 -1.9975 H 1 UNL1111111111 0.1463 48 H 0.3377 -0.6053 -0.6094 H 1 UNL1111111111 0.1963 49 H -3.5064 -2.4901 0.0567 H 1 UNL1111111111 0.1729 50 H -2.4066 -4.2005 1.4593 H 1 UNL1111111111 0.1472 51 H 0.0423 -4.0492 1.9534 H 1 UNL1111111111 0.1663 52 H 1.9665 -1.2909 0.7877 H 1 UNL1111111111 0.3735 @BOND 1 1 2 2 2 1 3 2 3 1 5 1 4 1 19 1 5 4 22 1 6 4 52 1 7 5 7 1 8 5 11 1 9 6 12 1 10 6 14 1 11 6 15 1 12 7 8 1 13 7 9 1 14 7 25 1 15 8 10 1 16 8 26 1 17 8 27 1 18 9 12 1 19 9 28 1 20 9 29 1 21 10 11 1 22 10 30 1 23 10 31 1 24 11 32 1 25 11 33 1 26 12 34 1 27 12 35 1 28 13 16 1 29 13 17 1 30 13 18 1 31 13 36 1 32 14 16 1 33 14 37 1 34 14 38 1 35 15 17 1 36 15 39 1 37 15 40 1 38 16 41 1 39 16 42 1 40 17 43 1 41 17 44 1 42 18 45 1 43 18 46 1 44 18 47 1 45 19 20 ar 46 19 21 ar 47 20 22 ar 48 20 48 1 49 21 23 ar 50 21 49 1 51 22 24 ar 52 23 24 ar 53 23 50 1 54 24 51 1