@MOLECULE (2s,3r)-3-{[(3r)-1-carbamimidoyl-3-piperidinyl]methyl}-4-oxo-1-{[4-(6-phenylhexanoyl)-1-piperazinyl]carbonyl}-2-azetidinecarboxylic acid 79 82 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.1765 3.6998 -0.4960 O.2 1 UNL11 -0.3566 2 O 3.0596 -0.9255 1.6118 O.3 1 UNL11 -0.5879 3 O 2.2100 4.1348 0.4413 O.2 1 UNL11 -0.4683 4 O 3.2782 1.0729 2.5813 O.2 1 UNL11 -0.4313 5 O -3.0299 0.4915 -1.8989 O.2 1 UNL11 -0.5340 6 N 3.3223 2.2319 -0.1448 N.am 1 UNL11 -0.5981 7 N 7.2661 -2.6997 0.3395 N.pl3 1 UNL11 -0.4068 8 N 0.9931 2.1687 0.3450 N.am 1 UNL11 -0.5047 9 N -1.7956 1.7689 -0.5194 N.am 1 UNL11 -0.5148 10 N 5.3331 -2.9941 1.7659 N.pl3 1 UNL11 -0.7128 11 N 6.3811 -4.8417 0.6625 N.2 1 UNL11 -0.7078 12 C 5.1806 1.1977 0.0188 C.3 1 UNL11 -0.1984 13 C 6.0923 -0.9348 -1.0123 C.3 1 UNL11 -0.1394 14 C 5.8980 0.5824 -1.1599 C.3 1 UNL11 -0.2920 15 C 3.6640 0.8152 0.1735 C.3 1 UNL11 0.0080 16 C 6.7691 -1.4801 -2.2845 C.3 1 UNL11 -0.2793 17 C 6.9717 -1.2637 0.2175 C.3 1 UNL11 -0.1079 18 C 4.6902 2.6544 -0.2429 C.2 1 UNL11 0.5980 19 C 7.1057 -2.9671 -2.1360 C.3 1 UNL11 -0.3137 20 C 7.9497 -3.2053 -0.8718 C.3 1 UNL11 -0.0794 21 C 2.1661 2.9518 0.2043 C.2 1 UNL11 0.7023 22 C 3.3110 0.4139 1.5840 C.2 1 UNL11 0.5980 23 C 0.6222 1.2731 -0.7705 C.3 1 UNL11 -0.1113 24 C -0.1424 2.9525 0.8902 C.3 1 UNL11 -0.0926 25 C 6.2815 -3.5637 0.8739 C.cat 1 UNL11 0.5498 26 C -0.6747 1.7368 -1.4676 C.3 1 UNL11 -0.0983 27 C -1.4334 2.1114 0.8636 C.3 1 UNL11 -0.0791 28 C -2.9330 1.0193 -0.8094 C.2 1 UNL11 0.5785 29 C -4.0330 0.9906 0.2243 C.3 1 UNL11 -0.3608 30 C -5.2635 0.2809 -0.3529 C.3 1 UNL11 -0.2485 31 C -6.4427 0.3600 0.6217 C.3 1 UNL11 -0.2708 32 C -7.6657 -0.3534 0.0337 C.3 1 UNL11 -0.2569 33 C -8.8895 -0.1772 0.9467 C.3 1 UNL11 -0.2961 34 C -10.0494 -0.9438 0.3889 C.ar 1 UNL11 0.0211 35 C -10.8494 -0.3782 -0.6068 C.ar 1 UNL11 -0.1810 36 C -10.3251 -2.2327 0.8499 C.ar 1 UNL11 -0.1825 37 C -11.9181 -1.0976 -1.1359 C.ar 1 UNL11 -0.1334 38 C -11.3949 -2.9497 0.3190 C.ar 1 UNL11 -0.1338 39 C -12.1923 -2.3841 -0.6743 C.ar 1 UNL11 -0.1665 40 H 5.7622 1.1250 0.9564 H 1 UNL11 0.1811 41 H 5.1017 -1.4314 -0.8925 H 1 UNL11 0.1415 42 H 6.8835 1.0799 -1.2933 H 1 UNL11 0.1654 43 H 5.3456 0.7885 -2.1022 H 1 UNL11 0.1613 44 H 3.2689 0.0997 -0.5790 H 1 UNL11 0.1883 45 H 7.6926 -0.9090 -2.4984 H 1 UNL11 0.1421 46 H 6.1098 -1.3303 -3.1594 H 1 UNL11 0.1390 47 H 7.9554 -0.7418 0.1309 H 1 UNL11 0.1560 48 H 6.5234 -0.8870 1.1599 H 1 UNL11 0.1461 49 H 6.1801 -3.5730 -2.0809 H 1 UNL11 0.1552 50 H 7.6485 -3.3328 -3.0261 H 1 UNL11 0.1472 51 H 8.1716 -4.2936 -0.7450 H 1 UNL11 0.1852 52 H 8.9299 -2.6860 -0.9404 H 1 UNL11 0.1399 53 H 1.4370 1.1970 -1.5219 H 1 UNL11 0.1513 54 H 0.4792 0.2549 -0.3361 H 1 UNL11 0.1588 55 H 0.1156 3.2257 1.9410 H 1 UNL11 0.1653 56 H -0.2884 3.9096 0.3358 H 1 UNL11 0.1614 57 H -0.9106 1.0637 -2.3283 H 1 UNL11 0.1798 58 H -0.5498 2.7591 -1.8954 H 1 UNL11 0.1562 59 H -1.2967 1.1901 1.4760 H 1 UNL11 0.1399 60 H -2.2605 2.7028 1.3210 H 1 UNL11 0.1484 61 H 2.7460 -1.2475 2.4951 H 1 UNL11 0.3670 62 H 4.6916 -3.6377 2.1919 H 1 UNL11 0.2886 63 H 4.9076 -2.1153 1.5516 H 1 UNL11 0.2980 64 H 5.7937 -5.4930 1.1454 H 1 UNL11 0.2812 65 H -4.2996 2.0249 0.5258 H 1 UNL11 0.1682 66 H -3.6891 0.4736 1.1415 H 1 UNL11 0.1605 67 H -5.5356 0.7333 -1.3290 H 1 UNL11 0.1595 68 H -5.0177 -0.7734 -0.5881 H 1 UNL11 0.1537 69 H -6.6884 1.4171 0.8362 H 1 UNL11 0.1360 70 H -6.1700 -0.0942 1.5921 H 1 UNL11 0.1342 71 H -7.4512 -1.4303 -0.1056 H 1 UNL11 0.1443 72 H -7.8920 0.0388 -0.9766 H 1 UNL11 0.1455 73 H -9.1403 0.8983 1.0439 H 1 UNL11 0.1490 74 H -8.6487 -0.5136 1.9746 H 1 UNL11 0.1468 75 H -10.6356 0.6243 -0.9704 H 1 UNL11 0.1521 76 H -9.7033 -2.6790 1.6223 H 1 UNL11 0.1506 77 H -12.5403 -0.6546 -1.9111 H 1 UNL11 0.1480 78 H -11.6078 -3.9535 0.6811 H 1 UNL11 0.1474 79 H -13.0263 -2.9453 -1.0884 H 1 UNL11 0.1491 @BOND 1 1 18 2 2 2 22 1 3 2 61 1 4 3 21 2 5 4 22 2 6 5 28 2 7 6 15 1 8 6 18 am 9 6 21 am 10 7 17 1 11 7 20 1 12 7 25 1 13 8 21 am 14 8 23 1 15 8 24 1 16 9 26 1 17 9 27 1 18 9 28 am 19 10 25 1 20 10 62 1 21 10 63 1 22 11 25 2 23 11 64 1 24 12 14 1 25 12 15 1 26 12 18 1 27 12 40 1 28 13 14 1 29 13 16 1 30 13 17 1 31 13 41 1 32 14 42 1 33 14 43 1 34 15 22 1 35 15 44 1 36 16 19 1 37 16 45 1 38 16 46 1 39 17 47 1 40 17 48 1 41 19 20 1 42 19 49 1 43 19 50 1 44 20 51 1 45 20 52 1 46 23 26 1 47 23 53 1 48 23 54 1 49 24 27 1 50 24 55 1 51 24 56 1 52 26 57 1 53 26 58 1 54 27 59 1 55 27 60 1 56 28 29 1 57 29 30 1 58 29 65 1 59 29 66 1 60 30 31 1 61 30 67 1 62 30 68 1 63 31 32 1 64 31 69 1 65 31 70 1 66 32 33 1 67 32 71 1 68 32 72 1 69 33 34 1 70 33 73 1 71 33 74 1 72 34 35 ar 73 34 36 ar 74 35 37 ar 75 35 75 1 76 36 38 ar 77 36 76 1 78 37 39 ar 79 37 77 1 80 38 39 ar 81 38 78 1 82 39 79 1