@MOLECULE 1-[n-(2-naphthylsulfonyl)glycyl-4-carbamimidoyl-l-phenylalanyl]piperidine 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.1421 3.0737 -0.0566 S.O2 1 UNL11 2.3556 2 O 3.5477 1.6914 -2.0634 O.2 1 UNL11 -0.5487 3 O 0.4213 2.4496 0.2860 O.2 1 UNL11 -0.5541 4 O -3.8914 2.7424 -1.2472 O.2 1 UNL11 -0.9058 5 O -3.6702 3.9287 0.9780 O.2 1 UNL11 -0.8881 6 N 3.8739 1.1753 0.1123 N.am 1 UNL11 -0.4579 7 N 0.7919 1.4333 -1.6966 N.am 1 UNL11 -0.5814 8 N -1.7113 3.9192 -0.5998 N.3 1 UNL11 -0.8389 9 N -2.2062 -5.7839 -1.3317 N.pl3 1 UNL11 -0.7073 10 N -3.3965 -4.1742 -0.0286 N.2 1 UNL11 -0.6415 11 C 3.5409 0.3641 1.2894 C.3 1 UNL11 -0.0741 12 C 5.3176 1.4497 0.0016 C.3 1 UNL11 -0.0703 13 C 4.2688 -0.9927 1.2466 C.3 1 UNL11 -0.2952 14 C 6.1126 0.1306 -0.0697 C.3 1 UNL11 -0.3021 15 C 5.7825 -0.7688 1.1287 C.3 1 UNL11 -0.2592 16 C 1.7337 0.5115 -1.0623 C.3 1 UNL11 0.0057 17 C 3.1341 1.1574 -1.0504 C.2 1 UNL11 0.5304 18 C 1.8612 -0.7947 -1.8714 C.3 1 UNL11 -0.3145 19 C 0.7465 -1.7414 -1.5563 C.ar 1 UNL11 0.0327 20 C 0.1965 2.3983 -0.9066 C.2 1 UNL11 0.5434 21 C -0.8314 3.3121 -1.5821 C.3 1 UNL11 -0.1294 22 C 1.0055 -2.8973 -0.8164 C.ar 1 UNL11 -0.1768 23 C -0.5471 -1.4801 -2.0131 C.ar 1 UNL11 -0.1621 24 C -0.0188 -3.8036 -0.5587 C.ar 1 UNL11 -0.1162 25 C -1.5747 -2.3811 -1.7520 C.ar 1 UNL11 -0.1045 26 C -1.3034 -3.5485 -1.0383 C.ar 1 UNL11 -0.0820 27 C -2.5997 1.5594 0.6522 C.ar 1 UNL11 -0.4165 28 C -1.5887 1.5238 1.5785 C.ar 1 UNL11 -0.0302 29 C -1.0942 0.2766 2.0524 C.ar 1 UNL11 -0.0482 30 C -3.2344 0.3602 0.2400 C.ar 1 UNL11 -0.0949 31 C -1.7264 -0.9162 1.6426 C.ar 1 UNL11 0.0360 32 C -2.8268 -0.8461 0.7452 C.ar 1 UNL11 -0.1787 33 C -2.3992 -4.5147 -0.7682 C.2 1 UNL11 0.4296 34 C 0.0421 0.2082 2.9044 C.ar 1 UNL11 -0.1406 35 C -1.2334 -2.1623 2.1193 C.ar 1 UNL11 -0.1645 36 C 0.5168 -1.0061 3.3266 C.ar 1 UNL11 -0.1751 37 C -0.1334 -2.2045 2.9350 C.ar 1 UNL11 -0.1426 38 H 2.4397 0.2283 1.3822 H 1 UNL11 0.1497 39 H 3.8473 0.9385 2.1960 H 1 UNL11 0.1526 40 H 5.6273 2.0517 0.8838 H 1 UNL11 0.1422 41 H 5.5126 2.0752 -0.9009 H 1 UNL11 0.1680 42 H 4.0328 -1.5748 2.1554 H 1 UNL11 0.1439 43 H 3.9038 -1.5948 0.3951 H 1 UNL11 0.1395 44 H 7.1947 0.3485 -0.1026 H 1 UNL11 0.1417 45 H 5.8800 -0.3931 -1.0162 H 1 UNL11 0.1486 46 H 6.3029 -1.7387 1.0280 H 1 UNL11 0.1334 47 H 6.1705 -0.3134 2.0594 H 1 UNL11 0.1372 48 H 1.3604 0.2898 -0.0214 H 1 UNL11 0.1899 49 H 2.8486 -1.2622 -1.6650 H 1 UNL11 0.1635 50 H 1.8907 -0.5721 -2.9614 H 1 UNL11 0.1765 51 H 0.8513 1.5206 -2.7000 H 1 UNL11 0.3197 52 H -0.2872 4.1210 -2.1329 H 1 UNL11 0.1683 53 H -1.4227 2.7621 -2.3549 H 1 UNL11 0.1790 54 H 2.0063 -3.0948 -0.4383 H 1 UNL11 0.1550 55 H -0.7573 -0.5643 -2.5642 H 1 UNL11 0.1659 56 H -1.2221 4.4826 0.0916 H 1 UNL11 0.3155 57 H 0.1794 -4.7055 0.0191 H 1 UNL11 0.1588 58 H -2.5898 -2.1718 -2.0924 H 1 UNL11 0.1671 59 H -1.1147 2.4336 1.9664 H 1 UNL11 0.1733 60 H -4.0570 0.3973 -0.4835 H 1 UNL11 0.1763 61 H -3.3243 -1.7799 0.4593 H 1 UNL11 0.1918 62 H 0.5269 1.1382 3.2016 H 1 UNL11 0.1599 63 H -1.7493 -3.0739 1.8083 H 1 UNL11 0.1746 64 H 1.3883 -1.0707 3.9742 H 1 UNL11 0.1504 65 H 0.2545 -3.1547 3.2970 H 1 UNL11 0.1503 66 H -1.4905 -5.9258 -2.0118 H 1 UNL11 0.3025 67 H -2.9488 -6.4484 -1.3412 H 1 UNL11 0.2964 68 H -4.1470 -4.8065 0.1763 H 1 UNL11 0.2767 @BOND 1 1 4 2 2 1 5 2 3 1 8 1 4 1 27 1 5 2 17 2 6 3 20 2 7 6 11 1 8 6 12 1 9 6 17 am 10 7 16 1 11 7 20 am 12 7 51 1 13 8 21 1 14 8 56 1 15 9 33 1 16 9 66 1 17 9 67 1 18 10 33 2 19 10 68 1 20 11 13 1 21 11 38 1 22 11 39 1 23 12 14 1 24 12 40 1 25 12 41 1 26 13 15 1 27 13 42 1 28 13 43 1 29 14 15 1 30 14 44 1 31 14 45 1 32 15 46 1 33 15 47 1 34 16 17 1 35 16 18 1 36 16 48 1 37 18 19 1 38 18 49 1 39 18 50 1 40 19 22 ar 41 19 23 ar 42 20 21 1 43 21 52 1 44 21 53 1 45 22 24 ar 46 22 54 1 47 23 25 ar 48 23 55 1 49 24 26 ar 50 24 57 1 51 25 26 ar 52 25 58 1 53 26 33 1 54 27 28 ar 55 27 30 ar 56 28 29 ar 57 28 59 1 58 29 31 ar 59 29 34 ar 60 30 32 ar 61 30 60 1 62 31 32 ar 63 31 35 ar 64 32 61 1 65 34 36 ar 66 34 62 1 67 35 37 ar 68 35 63 1 69 36 37 ar 70 36 64 1 71 37 65 1