@MOLECULE n-{(2s)-1-[4-(3-aminopropyl)piperazin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl}-3-(trifluoromethyl)benzenesulfonamide 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.3731 -3.2337 0.4434 C.ar 1 UNL1111111111 -0.3850 2 S -1.9778 -2.6016 0.0737 S.O2 1 UNL1111111111 2.3699 3 O -2.0401 -2.3587 -1.3487 O.2 1 UNL1111111111 -0.9218 4 O -2.9730 -3.3813 0.7644 O.2 1 UNL1111111111 -0.8898 5 C -0.1515 -3.9073 1.6427 C.ar 1 UNL1111111111 -0.0152 6 C 1.1346 -4.3371 1.9692 C.ar 1 UNL1111111111 -0.1877 7 C 2.1975 -4.0889 1.1033 C.ar 1 UNL1111111111 -0.0495 8 C 1.9633 -3.4228 -0.0998 C.ar 1 UNL1111111111 -0.1679 9 C 3.0842 -3.1230 -1.0499 C.3 1 UNL1111111111 0.5473 10 F 4.2616 -3.6634 -0.7431 F 1 UNL1111111111 -0.2030 11 F 2.8593 -3.5259 -2.3011 F 1 UNL1111111111 -0.1997 12 F 3.3409 -1.8172 -1.1636 F 1 UNL1111111111 -0.2078 13 C 0.6767 -3.0018 -0.4406 C.ar 1 UNL1111111111 -0.0242 14 N -1.8933 -1.0730 0.8739 N.3 1 UNL1111111111 -0.8687 15 C -1.2743 0.0564 0.1846 C.3 1 UNL1111111111 0.0402 16 C -0.7726 1.0235 1.2826 C.2 1 UNL1111111111 0.5449 17 O -1.1054 0.9000 2.4463 O.2 1 UNL1111111111 -0.5336 18 C -2.2170 0.7685 -0.8087 C.3 1 UNL1111111111 -0.3192 19 C -3.4179 1.4344 -0.1412 C.3 1 UNL1111111111 -0.2960 20 C -4.1002 2.3848 -1.1495 C.3 1 UNL1111111111 -0.0789 21 N -5.3673 2.8738 -0.6450 N.pl3 1 UNL1111111111 -0.5797 22 C -6.4920 2.2503 -0.8190 C.cat 1 UNL1111111111 0.5195 23 N -7.6886 2.9281 -0.4771 N.pl3 1 UNL1111111111 -0.6202 24 N -6.7127 0.9420 -1.3102 N.pl3 1 UNL1111111111 -0.6825 25 N 0.0139 2.0924 0.9165 N.am 1 UNL1111111111 -0.4979 26 C 0.5474 2.9811 1.9603 C.3 1 UNL1111111111 -0.0743 27 C 2.0868 2.8475 2.0781 C.3 1 UNL1111111111 -0.1470 28 N 2.6725 3.1408 0.7478 N.3 1 UNL1111111111 -0.4206 29 C 2.2249 2.1121 -0.2185 C.3 1 UNL1111111111 -0.1495 30 C 0.6888 2.2525 -0.3727 C.3 1 UNL1111111111 -0.0741 31 C 4.1497 3.2448 0.7997 C.3 1 UNL1111111111 -0.1189 32 C 4.6208 4.0321 -0.4365 C.3 1 UNL1111111111 -0.2894 33 C 6.1468 4.2111 -0.4175 C.3 1 UNL1111111111 -0.1026 34 N 6.5326 5.0716 -1.5598 N.3 1 UNL1111111111 -0.6461 35 H -0.9761 -4.1030 2.3409 H 1 UNL1111111111 0.1777 36 H 1.3107 -4.8609 2.9079 H 1 UNL1111111111 0.1616 37 H 3.1994 -4.4198 1.3835 H 1 UNL1111111111 0.1622 38 H 0.5000 -2.4967 -1.4010 H 1 UNL1111111111 0.1848 39 H -2.6359 -0.8040 1.5174 H 1 UNL1111111111 0.3344 40 H -0.3720 -0.3157 -0.3806 H 1 UNL1111111111 0.1471 41 H -1.6461 1.5233 -1.3842 H 1 UNL1111111111 0.1459 42 H -2.5642 0.0283 -1.5647 H 1 UNL1111111111 0.1771 43 H -4.1382 0.6842 0.2297 H 1 UNL1111111111 0.1485 44 H -3.1139 2.0131 0.7551 H 1 UNL1111111111 0.1662 45 H -3.4628 3.2932 -1.2932 H 1 UNL1111111111 0.1554 46 H -4.1825 1.9005 -2.1468 H 1 UNL1111111111 0.1113 47 H -7.5353 3.8304 -0.0420 H 1 UNL1111111111 0.2996 48 H -8.3645 2.3779 0.0277 H 1 UNL1111111111 0.2840 49 H -5.9196 0.4706 -1.7039 H 1 UNL1111111111 0.2937 50 H -7.5653 0.7726 -1.8101 H 1 UNL1111111111 0.2970 51 H 0.2814 4.0300 1.6903 H 1 UNL1111111111 0.1570 52 H 0.0696 2.7554 2.9417 H 1 UNL1111111111 0.1698 53 H 2.4592 3.5945 2.8107 H 1 UNL1111111111 0.1459 54 H 2.3568 1.8427 2.4636 H 1 UNL1111111111 0.1245 55 H 2.7094 2.2993 -1.2014 H 1 UNL1111111111 0.1521 56 H 2.4927 1.0797 0.0862 H 1 UNL1111111111 0.1232 57 H 0.3258 1.5248 -1.1249 H 1 UNL1111111111 0.1369 58 H 0.4538 3.2761 -0.7590 H 1 UNL1111111111 0.1626 59 H 4.4346 3.8035 1.7184 H 1 UNL1111111111 0.1383 60 H 4.6543 2.2580 0.8523 H 1 UNL1111111111 0.1181 61 H 4.3228 3.5238 -1.3736 H 1 UNL1111111111 0.1564 62 H 4.1065 5.0124 -0.4637 H 1 UNL1111111111 0.1572 63 H 6.4793 4.6185 0.5602 H 1 UNL1111111111 0.1061 64 H 6.6475 3.2257 -0.5505 H 1 UNL1111111111 0.1409 65 H 6.1173 5.9857 -1.4958 H 1 UNL1111111111 0.2467 66 H 7.5305 5.1705 -1.6349 H 1 UNL1111111111 0.2469 @BOND 1 1 2 1 2 1 5 ar 3 1 13 ar 4 2 14 1 5 2 3 2 6 2 4 2 7 5 6 ar 8 5 35 1 9 6 7 ar 10 6 36 1 11 7 8 ar 12 7 37 1 13 8 9 1 14 8 13 ar 15 9 10 1 16 9 11 1 17 9 12 1 18 13 38 1 19 14 15 1 20 14 39 1 21 15 16 1 22 15 18 1 23 15 40 1 24 16 17 2 25 16 25 am 26 18 19 1 27 18 41 1 28 18 42 1 29 19 20 1 30 19 43 1 31 19 44 1 32 20 21 1 33 20 45 1 34 20 46 1 35 21 22 2 36 22 24 1 37 22 23 1 38 23 47 1 39 23 48 1 40 24 49 1 41 24 50 1 42 25 26 1 43 25 30 1 44 26 27 1 45 26 51 1 46 26 52 1 47 27 28 1 48 27 53 1 49 27 54 1 50 28 29 1 51 28 31 1 52 29 30 1 53 29 55 1 54 29 56 1 55 30 57 1 56 30 58 1 57 31 32 1 58 31 59 1 59 31 60 1 60 32 33 1 61 32 61 1 62 32 62 1 63 33 34 1 64 33 63 1 65 33 64 1 66 34 65 1 67 34 66 1