@MOLECULE 1-[n-(2-naphthylsulfonyl)glycyl-4-{[(diaminomethylene)amino]methyl}phenylalanyl]piperidine 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0625 4.3773 -0.0475 S.O2 1 UNL11 2.3555 2 O 5.1799 0.8647 -0.6338 O.2 1 UNL11 -0.5524 3 O 1.3967 1.9021 1.1668 O.2 1 UNL11 -0.5596 4 O -0.9586 4.4124 -1.4901 O.2 1 UNL11 -0.9154 5 O -1.7627 5.3934 0.6967 O.2 1 UNL11 -0.8802 6 N 4.8026 -0.7956 0.8551 N.am 1 UNL11 -0.4693 7 N 2.6012 1.6237 -0.7320 N.am 1 UNL11 -0.5789 8 N 0.5710 4.4352 0.5441 N.3 1 UNL11 -0.8419 9 N -2.7909 -3.8140 -0.0414 N.pl3 1 UNL11 -0.5568 10 N -5.1570 -4.3548 -0.2608 N.pl3 1 UNL11 -0.6736 11 N -3.8867 -5.0147 1.6319 N.pl3 1 UNL11 -0.6248 12 C 4.0014 -1.9589 1.2576 C.3 1 UNL11 -0.0742 13 C 6.2514 -0.9998 1.0338 C.3 1 UNL11 -0.0694 14 C 4.4311 -3.2280 0.4949 C.3 1 UNL11 -0.2949 15 C 6.7382 -2.2459 0.2704 C.3 1 UNL11 -0.3009 16 C 5.9311 -3.4806 0.6885 C.3 1 UNL11 -0.2605 17 C 2.8873 0.2238 -0.4264 C.3 1 UNL11 0.0062 18 C 4.3890 0.1039 -0.1061 C.2 1 UNL11 0.5278 19 C 2.5776 -0.6655 -1.6520 C.3 1 UNL11 -0.3070 20 C 1.2061 -1.2519 -1.5256 C.ar 1 UNL11 -0.0082 21 C 1.8706 2.3816 0.1557 C.2 1 UNL11 0.5480 22 C 0.0812 -0.4576 -1.7535 C.ar 1 UNL11 -0.1441 23 C 1.0515 -2.5912 -1.1645 C.ar 1 UNL11 -0.1739 24 C 1.6417 3.8437 -0.2386 C.3 1 UNL11 -0.1351 25 C -1.1932 -1.0041 -1.6331 C.ar 1 UNL11 -0.1760 26 C -0.2224 -3.1381 -1.0469 C.ar 1 UNL11 -0.1192 27 C -1.3465 -2.3474 -1.2880 C.ar 1 UNL11 0.0027 28 C -1.7792 2.8223 0.3829 C.ar 1 UNL11 -0.3792 29 C -2.7284 -2.9471 -1.2077 C.3 1 UNL11 -0.0978 30 C -2.7860 2.3292 -0.4089 C.ar 1 UNL11 -0.0642 31 C -3.4846 1.1490 -0.0326 C.ar 1 UNL11 -0.0426 32 C -1.3787 2.1220 1.5457 C.ar 1 UNL11 -0.0765 33 C -3.1075 0.4704 1.1463 C.ar 1 UNL11 0.0343 34 C -2.0164 0.9631 1.9105 C.ar 1 UNL11 -0.1641 35 C -4.5818 0.6611 -0.7963 C.ar 1 UNL11 -0.1389 36 C -3.8484 -0.6724 1.5585 C.ar 1 UNL11 -0.1480 37 C -5.2943 -0.4279 -0.3675 C.ar 1 UNL11 -0.1821 38 C -4.9283 -1.0956 0.8296 C.ar 1 UNL11 -0.1512 39 C -3.8967 -4.3374 0.3807 C.cat 1 UNL11 0.5071 40 H 4.1436 -2.1051 2.3547 H 1 UNL11 0.1498 41 H 2.9157 -1.7666 1.1111 H 1 UNL11 0.1498 42 H 6.8024 -0.0931 0.6891 H 1 UNL11 0.1672 43 H 6.4508 -1.1045 2.1235 H 1 UNL11 0.1405 44 H 7.8149 -2.4028 0.4595 H 1 UNL11 0.1410 45 H 6.6429 -2.0770 -0.8194 H 1 UNL11 0.1514 46 H 4.2048 -3.1223 -0.5826 H 1 UNL11 0.1438 47 H 3.8435 -4.0938 0.8504 H 1 UNL11 0.1443 48 H 6.2485 -4.3602 0.0987 H 1 UNL11 0.1350 49 H 6.1423 -3.7335 1.7441 H 1 UNL11 0.1368 50 H 2.2575 -0.0906 0.4570 H 1 UNL11 0.1996 51 H 3.3446 -1.4597 -1.7565 H 1 UNL11 0.1569 52 H 2.6636 -0.0761 -2.5904 H 1 UNL11 0.1708 53 H 3.1524 2.0376 -1.4731 H 1 UNL11 0.3263 54 H 0.1988 0.5929 -2.0164 H 1 UNL11 0.1611 55 H 1.9219 -3.2146 -0.9769 H 1 UNL11 0.1443 56 H 2.5849 4.4188 -0.0559 H 1 UNL11 0.1670 57 H 1.4316 3.9392 -1.3352 H 1 UNL11 0.1902 58 H -2.0665 -0.3756 -1.7988 H 1 UNL11 0.1524 59 H -0.3524 -4.1804 -0.7547 H 1 UNL11 0.1650 60 H 0.7270 4.4041 1.5456 H 1 UNL11 0.3142 61 H -3.4977 -2.1377 -1.1661 H 1 UNL11 0.1378 62 H -2.9220 -3.5288 -2.1439 H 1 UNL11 0.1477 63 H -3.0886 2.8265 -1.3377 H 1 UNL11 0.1705 64 H -0.5477 2.4847 2.1594 H 1 UNL11 0.1735 65 H -1.6989 0.4067 2.7914 H 1 UNL11 0.1607 66 H -4.8531 1.1801 -1.7151 H 1 UNL11 0.1569 67 H -3.5424 -1.1995 2.4622 H 1 UNL11 0.1633 68 H -6.1541 -0.7877 -0.9280 H 1 UNL11 0.1500 69 H -5.5188 -1.9470 1.1638 H 1 UNL11 0.1518 70 H -5.3303 -3.6228 -0.9258 H 1 UNL11 0.2913 71 H -2.9762 -5.0197 2.0788 H 1 UNL11 0.2970 72 H -4.2942 -5.9359 1.6215 H 1 UNL11 0.2792 73 H -5.9608 -4.5653 0.3035 H 1 UNL11 0.2918 @BOND 1 1 4 2 2 1 5 2 3 1 8 1 4 1 28 1 5 2 18 2 6 3 21 2 7 6 12 1 8 6 13 1 9 6 18 am 10 7 17 1 11 7 21 am 12 7 53 1 13 8 24 1 14 8 60 1 15 9 29 1 16 9 39 2 17 10 39 1 18 10 70 1 19 10 73 1 20 11 39 1 21 11 71 1 22 11 72 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 16 1 30 14 46 1 31 14 47 1 32 15 16 1 33 15 44 1 34 15 45 1 35 16 48 1 36 16 49 1 37 17 18 1 38 17 19 1 39 17 50 1 40 19 20 1 41 19 51 1 42 19 52 1 43 20 22 ar 44 20 23 ar 45 21 24 1 46 22 25 ar 47 22 54 1 48 23 26 ar 49 23 55 1 50 24 56 1 51 24 57 1 52 25 27 ar 53 25 58 1 54 26 27 ar 55 26 59 1 56 27 29 1 57 28 30 ar 58 28 32 ar 59 29 61 1 60 29 62 1 61 30 31 ar 62 30 63 1 63 31 33 ar 64 31 35 ar 65 32 34 ar 66 32 64 1 67 33 34 ar 68 33 36 ar 69 34 65 1 70 35 37 ar 71 35 66 1 72 36 38 ar 73 36 67 1 74 37 38 ar 75 37 68 1 76 38 69 1