@MOLECULE 3-[(2s)-2-[(2-naphthylsulfonyl)amino]-3-oxo-3-(1-piperazinyl)propyl]benzenecarboximidamide 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.3417 0.7925 -0.8153 C.ar 1 UNL1111111111 0.0126 2 C 3.3294 0.3443 0.5062 C.ar 1 UNL1111111111 -0.1404 3 C 4.4417 0.5107 -1.6269 C.ar 1 UNL1111111111 -0.1579 4 C 5.5121 -0.2291 -1.1269 C.ar 1 UNL1111111111 -0.1462 5 C 5.4864 -0.7078 0.1814 C.ar 1 UNL1111111111 -0.1294 6 C 4.3889 -0.4195 0.9895 C.ar 1 UNL1111111111 -0.1015 7 C 4.2983 -0.9400 2.3810 C.2 1 UNL1111111111 0.3888 8 N 4.2889 -2.3407 2.4717 N.pl3 1 UNL1111111111 -0.6082 9 N 4.2678 -0.2515 3.4731 N.2 1 UNL1111111111 -0.6412 10 C 2.1817 1.5721 -1.3496 C.3 1 UNL1111111111 -0.3221 11 C 0.8377 0.8781 -1.0365 C.3 1 UNL1111111111 0.0483 12 C -0.2806 1.9155 -1.3130 C.2 1 UNL1111111111 0.5383 13 O -0.3433 2.4929 -2.3781 O.2 1 UNL1111111111 -0.5300 14 N -1.2724 2.0932 -0.3531 N.am 1 UNL1111111111 -0.4777 15 C -1.0492 1.8456 1.0773 C.3 1 UNL1111111111 -0.0812 16 C -0.4914 3.1142 1.7727 C.3 1 UNL1111111111 -0.1468 17 C -1.7004 4.4951 0.1512 C.3 1 UNL1111111111 -0.1467 18 C -2.2116 3.2115 -0.5520 C.3 1 UNL1111111111 -0.0862 19 N -1.4676 4.2105 1.5859 N.3 1 UNL1111111111 -0.5344 20 N 0.5447 -0.2595 -1.8944 N.3 1 UNL1111111111 -0.8811 21 S 0.2300 -1.8214 -1.2071 S.O2 1 UNL1111111111 2.3827 22 O 0.4416 -2.7526 -2.2865 O.2 1 UNL1111111111 -0.8901 23 O 0.9590 -1.9106 0.0407 O.2 1 UNL1111111111 -0.9398 24 C -1.4758 -1.7010 -0.8063 C.ar 1 UNL1111111111 -0.3686 25 C -2.4325 -1.6465 -1.8499 C.ar 1 UNL1111111111 -0.0725 26 C -3.7642 -1.4988 -1.5589 C.ar 1 UNL1111111111 -0.1751 27 C -3.2463 -1.4672 0.8306 C.ar 1 UNL1111111111 -0.0452 28 C -4.1998 -1.4053 -0.2089 C.ar 1 UNL1111111111 0.0351 29 C -1.8702 -1.6199 0.5049 C.ar 1 UNL1111111111 -0.0614 30 C -5.5756 -1.2545 0.1191 C.ar 1 UNL1111111111 -0.1813 31 C -5.9710 -1.1674 1.4286 C.ar 1 UNL1111111111 -0.1253 32 C -5.0131 -1.2246 2.4728 C.ar 1 UNL1111111111 -0.1619 33 C -3.6821 -1.3702 2.1812 C.ar 1 UNL1111111111 -0.1435 34 H 2.4854 0.5593 1.1609 H 1 UNL1111111111 0.1584 35 H 4.4670 0.8640 -2.6566 H 1 UNL1111111111 0.1547 36 H 6.3680 -0.4458 -1.7661 H 1 UNL1111111111 0.1565 37 H 6.3082 -1.3099 0.5709 H 1 UNL1111111111 0.1689 38 H 4.1194 -2.7201 3.3910 H 1 UNL1111111111 0.2943 39 H 3.7933 -2.8197 1.7370 H 1 UNL1111111111 0.2984 40 H 4.3745 0.7456 3.4489 H 1 UNL1111111111 0.2764 41 H 2.1873 2.5968 -0.9187 H 1 UNL1111111111 0.1628 42 H 2.2655 1.7422 -2.4463 H 1 UNL1111111111 0.1761 43 H 0.8332 0.5647 0.0453 H 1 UNL1111111111 0.1641 44 H -2.0303 1.5732 1.5335 H 1 UNL1111111111 0.1626 45 H -0.3736 0.9781 1.2418 H 1 UNL1111111111 0.1438 46 H -0.3874 2.9283 2.8638 H 1 UNL1111111111 0.1485 47 H 0.5183 3.3547 1.3797 H 1 UNL1111111111 0.1179 48 H -2.4781 5.2864 0.0859 H 1 UNL1111111111 0.1478 49 H -0.7961 4.8722 -0.3712 H 1 UNL1111111111 0.1257 50 H -2.3556 3.3986 -1.6400 H 1 UNL1111111111 0.1666 51 H -3.1977 2.9102 -0.1322 H 1 UNL1111111111 0.1531 52 H -1.1625 5.0511 2.0747 H 1 UNL1111111111 0.2570 53 H 0.9408 -0.2049 -2.8247 H 1 UNL1111111111 0.3254 54 H -2.1078 -1.7183 -2.8932 H 1 UNL1111111111 0.1706 55 H -4.5064 -1.4503 -2.3536 H 1 UNL1111111111 0.1564 56 H -1.1513 -1.6747 1.3316 H 1 UNL1111111111 0.1764 57 H -6.3065 -1.2090 -0.6879 H 1 UNL1111111111 0.1574 58 H -7.0235 -1.0563 1.6867 H 1 UNL1111111111 0.1563 59 H -5.3575 -1.1506 3.5033 H 1 UNL1111111111 0.1577 60 H -2.9401 -1.4155 2.9770 H 1 UNL1111111111 0.1561 @BOND 1 1 2 ar 2 1 3 ar 3 1 10 1 4 2 6 ar 5 2 34 1 6 3 4 ar 7 3 35 1 8 4 5 ar 9 4 36 1 10 5 6 ar 11 5 37 1 12 6 7 1 13 7 8 1 14 7 9 2 15 8 38 1 16 8 39 1 17 9 40 1 18 10 11 1 19 10 41 1 20 10 42 1 21 11 12 1 22 11 20 1 23 11 43 1 24 12 13 2 25 12 14 am 26 14 15 1 27 14 18 1 28 15 16 1 29 15 44 1 30 15 45 1 31 16 19 1 32 16 46 1 33 16 47 1 34 17 18 1 35 17 19 1 36 17 48 1 37 17 49 1 38 18 50 1 39 18 51 1 40 19 52 1 41 20 21 1 42 20 53 1 43 21 22 2 44 21 23 2 45 21 24 1 46 24 25 ar 47 24 29 ar 48 25 26 ar 49 25 54 1 50 26 28 ar 51 26 55 1 52 27 28 ar 53 27 29 ar 54 27 33 ar 55 28 30 ar 56 29 56 1 57 30 31 ar 58 30 57 1 59 31 32 ar 60 31 58 1 61 32 33 ar 62 32 59 1 63 33 60 1