@MOLECULE (3s)-1-carbamimidoyl-n-({(2s)-1-[n-(2-naphthylsulfonyl)-l-seryl]-2-pyrrolidinyl}methyl)-3-piperidinecarboxamide 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.4000 -0.0561 -0.9614 S.O2 1 UNL11 2.3722 2 O -0.6970 -2.3471 -0.6509 O.2 1 UNL11 -0.5512 3 O 3.1115 -2.8657 -0.7600 O.2 1 UNL11 -0.5289 4 O -2.6069 -4.1231 -1.3265 O.3 1 UNL11 -0.5571 5 O -5.3238 -0.3219 0.1183 O.2 1 UNL11 -0.9296 6 O -4.8406 0.2148 -2.3057 O.2 1 UNL11 -0.8820 7 N -0.9298 -1.3293 1.3312 N.am 1 UNL11 -0.5183 8 N 2.8422 -1.6654 1.1453 N.am 1 UNL11 -0.6049 9 N 4.9107 0.9209 -0.1904 N.pl3 1 UNL11 -0.4216 10 N -3.3337 -1.4111 -1.0773 N.3 1 UNL11 -0.8787 11 N 2.9156 2.1238 -0.8409 N.pl3 1 UNL11 -0.7139 12 N 3.2107 1.3036 1.3736 N.2 1 UNL11 -0.7609 13 C 0.4807 -0.8879 1.3633 C.3 1 UNL11 0.0830 14 C 0.6008 -0.0685 2.6688 C.3 1 UNL11 -0.2960 15 C -0.5862 -0.4903 3.5504 C.3 1 UNL11 -0.2791 16 C -1.6558 -1.0115 2.5695 C.3 1 UNL11 -0.0551 17 C 1.4545 -2.1007 1.3229 C.3 1 UNL11 -0.1124 18 C 5.0205 -1.6127 -0.0669 C.3 1 UNL11 -0.2315 19 C 5.4274 -1.6384 -1.5497 C.3 1 UNL11 -0.2577 20 C -1.4454 -1.9708 0.2377 C.2 1 UNL11 0.5531 21 C 5.3837 -0.2533 0.5673 C.3 1 UNL11 -0.0787 22 C 4.8808 -0.4185 -2.2986 C.3 1 UNL11 -0.3096 23 C 3.5615 -2.0672 0.0341 C.2 1 UNL11 0.5691 24 C 5.3433 0.8657 -1.5967 C.3 1 UNL11 -0.0945 25 C -2.9707 -2.1871 0.1022 C.3 1 UNL11 -0.0227 26 C -3.2094 -3.7023 -0.1315 C.3 1 UNL11 -0.0206 27 C 3.6312 1.4094 0.1408 C.cat 1 UNL11 0.5828 28 C -3.2990 1.2046 -0.4115 C.ar 1 UNL11 -0.3776 29 C -2.3386 1.7235 -1.2406 C.ar 1 UNL11 -0.0361 30 C -3.4102 1.6505 0.9287 C.ar 1 UNL11 -0.0921 31 C -1.4243 2.7000 -0.7523 C.ar 1 UNL11 -0.0480 32 C -1.4980 3.1021 0.5991 C.ar 1 UNL11 0.0310 33 C -2.5267 2.5728 1.4257 C.ar 1 UNL11 -0.1852 34 C -0.4375 3.2776 -1.5967 C.ar 1 UNL11 -0.1400 35 C -0.5423 4.0276 1.1016 C.ar 1 UNL11 -0.1878 36 C 0.4541 4.1922 -1.0976 C.ar 1 UNL11 -0.1775 37 C 0.4140 4.5552 0.2728 C.ar 1 UNL11 -0.1218 38 H 0.6718 -0.2494 0.4636 H 1 UNL11 0.1441 39 H 1.5677 -0.2364 3.1754 H 1 UNL11 0.1667 40 H 0.5510 1.0119 2.4502 H 1 UNL11 0.1384 41 H -0.9597 0.3489 4.1563 H 1 UNL11 0.1422 42 H -0.2846 -1.2803 4.2597 H 1 UNL11 0.1468 43 H -2.4300 -0.2373 2.3751 H 1 UNL11 0.1401 44 H -2.1643 -1.9143 2.9675 H 1 UNL11 0.1323 45 H 1.1624 -2.7895 0.4848 H 1 UNL11 0.2060 46 H 1.3830 -2.6862 2.2634 H 1 UNL11 0.1466 47 H 5.6066 -2.4007 0.4796 H 1 UNL11 0.1684 48 H 6.5273 -1.6870 -1.6408 H 1 UNL11 0.1357 49 H 5.0425 -2.5700 -2.0230 H 1 UNL11 0.1766 50 H 5.0347 -0.1856 1.6253 H 1 UNL11 0.1784 51 H 6.4963 -0.1654 0.6197 H 1 UNL11 0.1476 52 H 3.1150 -0.8151 1.6358 H 1 UNL11 0.3361 53 H 5.2220 -0.4285 -3.3499 H 1 UNL11 0.1471 54 H 3.7742 -0.4703 -2.3383 H 1 UNL11 0.1586 55 H 5.0308 1.7777 -2.1436 H 1 UNL11 0.1378 56 H 6.4619 0.9128 -1.5842 H 1 UNL11 0.1533 57 H -3.5340 -1.8624 1.0128 H 1 UNL11 0.1628 58 H -2.8227 -4.3050 0.7083 H 1 UNL11 0.1205 59 H -4.2840 -3.9220 -0.2825 H 1 UNL11 0.1510 60 H -3.2954 -1.9533 -1.9435 H 1 UNL11 0.3433 61 H 3.1252 2.0064 -1.8097 H 1 UNL11 0.2989 62 H 1.9499 2.3275 -0.6483 H 1 UNL11 0.3068 63 H -1.6808 -3.7601 -1.3804 H 1 UNL11 0.3588 64 H 2.4034 1.8197 1.6714 H 1 UNL11 0.2819 65 H -2.2430 1.4062 -2.2859 H 1 UNL11 0.1758 66 H -4.2156 1.2633 1.5659 H 1 UNL11 0.1776 67 H -2.5950 2.9205 2.4540 H 1 UNL11 0.1541 68 H -0.4129 2.9842 -2.6482 H 1 UNL11 0.1624 69 H -0.5882 4.3115 2.1519 H 1 UNL11 0.1582 70 H 1.2046 4.6545 -1.7389 H 1 UNL11 0.1634 71 H 1.1538 5.2616 0.6490 H 1 UNL11 0.1616 @BOND 1 1 5 2 2 1 6 2 3 1 10 1 4 1 28 1 5 2 20 2 6 3 23 2 7 4 26 1 8 4 63 1 9 7 13 1 10 7 16 1 11 7 20 am 12 8 17 1 13 8 23 am 14 8 52 1 15 9 21 1 16 9 24 1 17 9 27 1 18 10 25 1 19 10 60 1 20 11 27 1 21 11 61 1 22 11 62 1 23 12 27 2 24 12 64 1 25 13 14 1 26 13 17 1 27 13 38 1 28 14 15 1 29 14 39 1 30 14 40 1 31 15 16 1 32 15 41 1 33 15 42 1 34 16 43 1 35 16 44 1 36 17 45 1 37 17 46 1 38 18 19 1 39 18 21 1 40 18 23 1 41 18 47 1 42 19 22 1 43 19 48 1 44 19 49 1 45 20 25 1 46 21 50 1 47 21 51 1 48 22 24 1 49 22 53 1 50 22 54 1 51 24 55 1 52 24 56 1 53 25 26 1 54 25 57 1 55 26 58 1 56 26 59 1 57 28 29 ar 58 28 30 ar 59 29 31 ar 60 29 65 1 61 30 33 ar 62 30 66 1 63 31 32 ar 64 31 34 ar 65 32 33 ar 66 32 35 ar 67 33 67 1 68 34 36 ar 69 34 68 1 70 35 37 ar 71 35 69 1 72 36 37 ar 73 36 70 1 74 37 71 1