@MOLECULE 3-amino-6-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-n-(3-pyridinyl)-2-pyrazinecarboxamide 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.9939 -0.5964 2.0296 C.3 1 UNL1111111111 -0.1306 2 N 6.1294 -2.0680 1.8979 N.3 1 UNL1111111111 -0.3986 3 C 6.2574 -2.7021 3.2265 C.3 1 UNL1111111111 -0.2889 4 C 4.9596 -2.6140 1.1662 C.3 1 UNL1111111111 -0.1306 5 C 4.9264 -1.9903 -0.2528 C.3 1 UNL1111111111 -0.0729 6 N 4.8037 -0.5253 -0.1168 N.3 1 UNL1111111111 -0.7471 7 S 4.2784 0.3538 -1.5360 S.O2 1 UNL1111111111 2.3143 8 O 5.1192 1.5244 -1.6317 O.2 1 UNL1111111111 -0.9046 9 O 4.1599 -0.5944 -2.6204 O.2 1 UNL1111111111 -0.9111 10 C 2.6586 0.8586 -1.0688 C.ar 1 UNL1111111111 -0.3581 11 C 2.4914 1.7733 -0.0309 C.ar 1 UNL1111111111 -0.0535 12 C 1.2110 2.1651 0.3506 C.ar 1 UNL1111111111 -0.1931 13 C 0.0959 1.6507 -0.3192 C.ar 1 UNL1111111111 0.0513 14 C 0.2677 0.7335 -1.3600 C.ar 1 UNL1111111111 -0.1570 15 C 1.5503 0.3369 -1.7320 C.ar 1 UNL1111111111 -0.0693 16 C -1.2499 2.0808 0.0740 C.ar 1 UNL1111111111 -0.0460 17 C -1.5128 3.4367 0.4497 C.ar 1 UNL1111111111 0.0976 18 N -2.7175 3.8393 0.8229 N.ar 1 UNL1111111111 -0.4340 19 C -3.7417 2.9082 0.8427 C.ar 1 UNL1111111111 0.3916 20 C -3.4738 1.5584 0.4430 C.ar 1 UNL1111111111 -0.1803 21 N -2.2386 1.1827 0.0700 N.ar 1 UNL1111111111 -0.2468 22 C -4.5618 0.5455 0.4256 C.2 1 UNL1111111111 0.6282 23 O -5.6974 0.8341 0.7684 O.2 1 UNL1111111111 -0.5733 24 N -4.2202 -0.7208 -0.0071 N.am 1 UNL1111111111 -0.5118 25 C -5.1289 -1.7888 -0.1383 C.ar 1 UNL1111111111 0.1268 26 C -6.3986 -1.8167 0.4521 C.ar 1 UNL1111111111 -0.1403 27 C -7.2063 -2.9321 0.2501 C.ar 1 UNL1111111111 -0.1997 28 C -6.7284 -3.9900 -0.5317 C.ar 1 UNL1111111111 0.0053 29 N -5.5057 -3.9732 -1.0963 N.ar 1 UNL1111111111 -0.3325 30 C -4.7201 -2.9057 -0.9096 C.ar 1 UNL1111111111 -0.0362 31 N -4.9516 3.3533 1.2474 N.pl3 1 UNL1111111111 -0.5273 32 C 5.9657 0.0252 0.6097 C.3 1 UNL1111111111 -0.0742 33 H 5.0862 -0.2938 2.5922 H 1 UNL1111111111 0.1226 34 H 6.8757 -0.2089 2.5810 H 1 UNL1111111111 0.1344 35 H 5.8818 1.1317 0.6915 H 1 UNL1111111111 0.1490 36 H 6.9285 -0.1930 0.0922 H 1 UNL1111111111 0.1414 37 H 5.3949 -2.5517 3.8920 H 1 UNL1111111111 0.1194 38 H 6.4114 -3.7861 3.0922 H 1 UNL1111111111 0.1488 39 H 7.1580 -2.3087 3.7271 H 1 UNL1111111111 0.1478 40 H 5.0803 -3.7140 1.0793 H 1 UNL1111111111 0.1355 41 H 3.9967 -2.4213 1.6840 H 1 UNL1111111111 0.1238 42 H 5.8465 -2.2859 -0.8082 H 1 UNL1111111111 0.1421 43 H 4.0577 -2.3991 -0.8148 H 1 UNL1111111111 0.1475 44 H 3.3533 2.1942 0.4956 H 1 UNL1111111111 0.1641 45 H 1.6709 -0.3843 -2.5501 H 1 UNL1111111111 0.1786 46 H 1.0843 2.8597 1.1777 H 1 UNL1111111111 0.1541 47 H -0.6034 0.3279 -1.8746 H 1 UNL1111111111 0.1682 48 H -0.7210 4.1987 0.4297 H 1 UNL1111111111 0.1889 49 H -5.0874 4.3124 1.5056 H 1 UNL1111111111 0.3231 50 H -5.7396 2.7126 1.2639 H 1 UNL1111111111 0.3546 51 H -3.2508 -0.8891 -0.2884 H 1 UNL1111111111 0.3417 52 H -6.7582 -0.9822 1.0609 H 1 UNL1111111111 0.2006 53 H -3.7375 -2.9422 -1.3920 H 1 UNL1111111111 0.1769 54 H -8.1975 -2.9806 0.6949 H 1 UNL1111111111 0.1665 55 H -7.3272 -4.8865 -0.7226 H 1 UNL1111111111 0.1733 @BOND 1 1 2 1 2 1 32 1 3 1 33 1 4 1 34 1 5 2 3 1 6 2 4 1 7 3 37 1 8 3 38 1 9 3 39 1 10 4 5 1 11 4 40 1 12 4 41 1 13 5 6 1 14 5 42 1 15 5 43 1 16 6 7 1 17 6 32 1 18 7 8 2 19 7 9 2 20 7 10 1 21 10 11 ar 22 10 15 ar 23 11 12 ar 24 11 44 1 25 12 13 ar 26 12 46 1 27 13 14 ar 28 13 16 1 29 14 15 ar 30 14 47 1 31 15 45 1 32 16 17 ar 33 16 21 ar 34 17 18 ar 35 17 48 1 36 18 19 ar 37 19 20 ar 38 19 31 1 39 20 21 ar 40 20 22 1 41 22 23 2 42 22 24 am 43 24 25 1 44 24 51 1 45 25 26 ar 46 25 30 ar 47 26 27 ar 48 26 52 1 49 27 28 ar 50 27 54 1 51 28 29 ar 52 28 55 1 53 29 30 ar 54 30 53 1 55 31 49 1 56 31 50 1 57 32 35 1 58 32 36 1