@MOLECULE ([(7-carbamimidoyl-2-naphthyl)methyl]{4-[(1-ethanimidoyl-4-piperidinyl)oxy]phenyl}sulfamoyl)acetic acid 69 72 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.9286 -4.2621 -0.3079 C.ar 1 UNL111111111 -0.1623 2 C -2.9799 -5.0993 0.2173 C.ar 1 UNL111111111 -0.1354 3 C -1.2508 -3.4351 -0.1465 C.ar 1 UNL111111111 -0.1008 4 C -0.6113 -5.5859 0.8943 C.2 1 UNL111111111 0.4198 5 C -4.5396 -2.0709 -1.3017 C.ar 1 UNL111111111 -0.1664 6 C -4.1720 -0.8230 -1.7338 C.ar 1 UNL111111111 -0.1561 7 C -2.8167 -0.4122 -1.6603 C.ar 1 UNL111111111 -0.0287 8 C -1.8613 -1.2614 -1.1598 C.ar 1 UNL111111111 -0.1440 9 C -2.2220 -2.5527 -0.6930 C.ar 1 UNL111111111 -0.0272 10 C -3.5709 -2.9639 -0.7669 C.ar 1 UNL111111111 0.0006 11 O -4.1176 3.2536 -1.4805 O.2 1 UNL111111111 -0.9100 12 S -3.1706 3.0648 -0.4086 S.O2 1 UNL111111111 2.3925 13 O -2.3760 4.1420 0.1057 O.2 1 UNL111111111 -0.8648 14 C -4.0920 2.3021 0.9476 C.3 1 UNL111111111 -0.6740 15 C -3.6482 2.7527 2.2936 C.2 1 UNL111111111 0.6742 16 O -2.5623 2.0387 2.6938 O.3 1 UNL111111111 -0.5673 17 O -4.1519 3.5735 3.0103 O.2 1 UNL111111111 -0.4808 18 N -2.1297 1.7729 -0.9041 N.pl3 1 UNL111111111 -0.7912 19 C -2.4365 0.9807 -2.1067 C.3 1 UNL111111111 -0.0524 20 C -1.6292 -4.6726 0.3119 C.ar 1 UNL111111111 -0.0571 21 N -0.9880 -6.1966 2.1040 N.pl3 1 UNL111111111 -0.7106 22 N 0.4974 -5.7949 0.2766 N.2 1 UNL111111111 -0.6163 23 C -0.7613 1.7701 -0.5032 C.ar 1 UNL111111111 0.1218 24 C -0.4355 1.1190 0.6993 C.ar 1 UNL111111111 -0.1008 25 C 0.8856 1.0453 1.1059 C.ar 1 UNL111111111 -0.2330 26 C 1.8788 1.6274 0.3011 C.ar 1 UNL111111111 0.2510 27 C 1.5681 2.2844 -0.8892 C.ar 1 UNL111111111 -0.2861 28 C 0.2354 2.3593 -1.2863 C.ar 1 UNL111111111 -0.1206 29 O 3.1231 1.5084 0.8317 O.3 1 UNL111111111 -0.3709 30 C 4.2501 1.6730 -0.0347 C.3 1 UNL111111111 0.1354 31 C 4.3319 0.4646 -0.9754 C.3 1 UNL111111111 -0.3774 32 C 5.7142 0.4178 -1.6474 C.3 1 UNL111111111 -0.0904 33 N 6.8200 0.4177 -0.6709 N.pl3 1 UNL111111111 -0.4896 34 C 7.1244 -0.8213 -0.0278 C.2 1 UNL111111111 0.4221 35 C 8.2149 -0.7611 1.0089 C.3 1 UNL111111111 -0.4587 36 N 6.6463 -1.9755 -0.3286 N.2 1 UNL111111111 -0.6263 37 C 6.7504 1.6214 0.1782 C.3 1 UNL111111111 -0.0756 38 C 5.4238 1.7075 0.9537 C.3 1 UNL111111111 -0.3506 39 H -4.9674 -4.5780 -0.3885 H 1 UNL111111111 0.1568 40 H -3.2420 -6.1038 0.5514 H 1 UNL111111111 0.1648 41 H -0.2041 -3.1213 -0.1078 H 1 UNL111111111 0.1804 42 H -5.5758 -2.3983 -1.3604 H 1 UNL111111111 0.1521 43 H -4.9132 -0.1357 -2.1415 H 1 UNL111111111 0.1604 44 H -0.8160 -0.9539 -1.0986 H 1 UNL111111111 0.1688 45 H -5.1767 2.5265 0.8152 H 1 UNL111111111 0.2181 46 H -4.0165 1.1904 0.8673 H 1 UNL111111111 0.2231 47 H -2.1806 2.3453 3.5541 H 1 UNL111111111 0.3635 48 H -1.5584 0.9374 -2.7939 H 1 UNL111111111 0.1434 49 H -3.2562 1.4522 -2.7035 H 1 UNL111111111 0.1690 50 H -1.7608 -5.8369 2.6224 H 1 UNL111111111 0.2995 51 H -0.3086 -6.6903 2.6414 H 1 UNL111111111 0.2947 52 H 1.2010 -6.4102 0.6376 H 1 UNL111111111 0.2738 53 H -1.2256 0.6692 1.3049 H 1 UNL111111111 0.1770 54 H 1.1681 0.5456 2.0296 H 1 UNL111111111 0.1745 55 H 2.3378 2.7501 -1.4950 H 1 UNL111111111 0.1613 56 H -0.0260 2.8829 -2.2049 H 1 UNL111111111 0.1584 57 H 4.1619 2.6316 -0.5877 H 1 UNL111111111 0.1285 58 H 4.1466 -0.4631 -0.3966 H 1 UNL111111111 0.1714 59 H 3.5311 0.5046 -1.7358 H 1 UNL111111111 0.1601 60 H 5.8019 -0.4639 -2.3179 H 1 UNL111111111 0.1461 61 H 5.8536 1.3057 -2.3079 H 1 UNL111111111 0.1501 62 H 7.8481 -0.3520 1.9588 H 1 UNL111111111 0.1620 63 H 8.5936 -1.7773 1.2236 H 1 UNL111111111 0.1884 64 H 9.0694 -0.1628 0.6655 H 1 UNL111111111 0.1674 65 H 5.9158 -2.1046 -1.0009 H 1 UNL111111111 0.2700 66 H 7.6127 1.6497 0.8766 H 1 UNL111111111 0.1473 67 H 6.8706 2.5101 -0.4847 H 1 UNL111111111 0.1468 68 H 5.3837 2.6263 1.5665 H 1 UNL111111111 0.1617 69 H 5.3345 0.8675 1.6714 H 1 UNL111111111 0.1687 @BOND 1 1 2 ar 2 1 10 ar 3 1 39 1 4 2 20 ar 5 2 40 1 6 3 41 1 7 4 21 1 8 5 10 ar 9 5 6 ar 10 5 42 1 11 6 7 ar 12 6 43 1 13 7 8 ar 14 7 19 1 15 8 44 1 16 9 3 ar 17 9 8 ar 18 10 9 ar 19 11 12 2 20 12 14 1 21 13 12 2 22 14 45 1 23 14 46 1 24 15 16 1 25 15 14 1 26 16 47 1 27 17 15 2 28 18 12 1 29 18 23 1 30 19 18 1 31 19 48 1 32 19 49 1 33 20 4 1 34 20 3 ar 35 21 50 1 36 21 51 1 37 22 4 2 38 22 52 1 39 23 24 ar 40 24 25 ar 41 24 53 1 42 25 54 1 43 26 29 1 44 26 25 ar 45 27 26 ar 46 27 55 1 47 28 27 ar 48 28 23 ar 49 28 56 1 50 29 30 1 51 30 38 1 52 30 57 1 53 31 30 1 54 31 58 1 55 31 59 1 56 32 31 1 57 32 33 1 58 32 60 1 59 32 61 1 60 33 34 1 61 33 37 1 62 34 36 2 63 35 34 1 64 35 62 1 65 35 63 1 66 35 64 1 67 36 65 1 68 37 38 1 69 37 66 1 70 37 67 1 71 38 68 1 72 38 69 1