@MOLECULE 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-n-(4-piperidinylmethyl)-2-pyrazinecarboxamide 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.4215 -0.3218 0.2280 C.ar 1 UNL1111111111 0.0661 2 C -2.7532 -0.5226 0.5928 C.ar 1 UNL1111111111 -0.2868 3 C -0.9775 0.9644 -0.1006 C.ar 1 UNL1111111111 -0.1919 4 C -3.6569 0.5521 0.5593 C.ar 1 UNL1111111111 0.2605 5 C -1.8674 2.0347 -0.0753 C.ar 1 UNL1111111111 -0.0925 6 C -3.2078 1.8424 0.2397 C.ar 1 UNL1111111111 -0.2588 7 C -0.5081 -1.4671 0.1396 C.ar 1 UNL1111111111 -0.0365 8 C -0.9914 -2.8049 0.0088 C.ar 1 UNL1111111111 0.0901 9 N -0.1774 -3.8429 -0.1366 N.ar 1 UNL1111111111 -0.4398 10 C 1.6628 -2.2615 -0.0015 C.ar 1 UNL1111111111 -0.1665 11 C 1.1821 -3.6030 -0.1604 C.ar 1 UNL1111111111 0.3842 12 O 3.9420 -2.8516 -0.2811 O.2 1 UNL1111111111 -0.6050 13 C 4.9444 -0.3594 0.1913 C.3 1 UNL1111111111 -0.0785 14 C 5.1448 1.1557 0.3887 C.3 1 UNL1111111111 -0.1179 15 C 6.6491 1.4432 0.5235 C.3 1 UNL1111111111 -0.3330 16 C 4.5627 1.9505 -0.7913 C.3 1 UNL1111111111 -0.3265 17 C 4.8668 3.4517 -0.6136 C.3 1 UNL1111111111 -0.1110 18 N 6.3070 3.7372 -0.4578 N.3 1 UNL1111111111 -0.5241 19 O -7.4735 0.2503 0.3702 O.2 1 UNL1111111111 -0.8983 20 C -5.9423 0.6045 -1.7461 C.3 1 UNL1111111111 -0.7561 21 O -6.2541 2.4381 0.0851 O.2 1 UNL1111111111 -0.8926 22 S -6.3263 1.0092 -0.0645 S.O2 1 UNL1111111111 2.3990 23 N -5.0124 0.2846 0.8169 N.pl3 1 UNL1111111111 -0.8877 24 N 0.8129 -1.2361 0.1406 N.ar 1 UNL1111111111 -0.2485 25 N 1.9878 -4.6745 -0.3377 N.pl3 1 UNL1111111111 -0.5375 26 C 3.1235 -1.9757 -0.0209 C.2 1 UNL1111111111 0.6126 27 N 3.5195 -0.7032 0.2683 N.am 1 UNL1111111111 -0.5424 28 C 6.8809 2.9620 0.6595 C.3 1 UNL1111111111 -0.1047 29 H -3.1041 -1.5044 0.8961 H 1 UNL1111111111 0.1592 30 H 0.0654 1.1243 -0.3722 H 1 UNL1111111111 0.1714 31 H -1.5094 3.0378 -0.3076 H 1 UNL1111111111 0.1488 32 H -3.8897 2.6954 0.2652 H 1 UNL1111111111 0.1906 33 H -2.0659 -3.0313 0.0124 H 1 UNL1111111111 0.1821 34 H 5.3573 -0.6953 -0.7889 H 1 UNL1111111111 0.1553 35 H 5.4984 -0.9354 0.9711 H 1 UNL1111111111 0.1529 36 H 4.6327 1.4748 1.3296 H 1 UNL1111111111 0.1466 37 H 7.0680 0.9196 1.4016 H 1 UNL1111111111 0.1458 38 H 7.1956 1.0553 -0.3531 H 1 UNL1111111111 0.1445 39 H 4.9851 1.5867 -1.7453 H 1 UNL1111111111 0.1449 40 H 3.4717 1.7950 -0.8701 H 1 UNL1111111111 0.1482 41 H 4.4906 4.0310 -1.4834 H 1 UNL1111111111 0.1358 42 H 4.3380 3.8493 0.2803 H 1 UNL1111111111 0.1434 43 H 6.8061 3.5394 -1.3240 H 1 UNL1111111111 0.2509 44 H -6.8053 0.7722 -2.4053 H 1 UNL1111111111 0.1929 45 H -5.1179 1.2139 -2.1440 H 1 UNL1111111111 0.1946 46 H -5.6545 -0.4467 -1.8723 H 1 UNL1111111111 0.1918 47 H -5.2205 -0.4287 1.5067 H 1 UNL1111111111 0.3328 48 H 2.9938 -4.5325 -0.3923 H 1 UNL1111111111 0.3564 49 H 1.6063 -5.5934 -0.4494 H 1 UNL1111111111 0.3214 50 H 2.8480 0.0239 0.4719 H 1 UNL1111111111 0.3335 51 H 6.4333 3.3364 1.6063 H 1 UNL1111111111 0.1436 52 H 7.9673 3.1865 0.7159 H 1 UNL1111111111 0.1370 @BOND 1 1 7 1 2 1 3 ar 3 2 1 ar 4 2 29 1 5 3 30 1 6 4 2 ar 7 4 6 ar 8 5 3 ar 9 5 31 1 10 6 5 ar 11 6 32 1 12 7 8 ar 13 8 9 ar 14 8 33 1 15 10 11 ar 16 11 25 1 17 11 9 ar 18 13 14 1 19 13 27 1 20 13 34 1 21 13 35 1 22 14 15 1 23 14 36 1 24 15 28 1 25 15 37 1 26 15 38 1 27 16 14 1 28 16 39 1 29 16 40 1 30 17 16 1 31 17 18 1 32 17 41 1 33 17 42 1 34 18 28 1 35 18 43 1 36 19 22 2 37 20 44 1 38 20 45 1 39 20 46 1 40 21 22 2 41 22 23 1 42 22 20 1 43 23 4 1 44 23 47 1 45 24 10 ar 46 24 7 ar 47 25 48 1 48 25 49 1 49 26 12 2 50 26 10 1 51 27 26 am 52 27 50 1 53 28 51 1 54 28 52 1