@MOLECULE (3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(aminomethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.0553 3.7935 -1.8224 C.3 1 UNL1111111111 -0.4188 2 C -0.6692 2.9343 -0.7887 C.3 1 UNL1111111111 -0.2753 3 C -2.1624 3.2977 -0.7200 C.3 1 UNL1111111111 -0.0176 4 N -2.3551 4.7009 -0.3040 N.3 1 UNL1111111111 -0.6278 5 C -2.9166 2.3531 0.2398 C.2 1 UNL1111111111 0.5286 6 O -3.6593 2.7842 1.1008 O.2 1 UNL1111111111 -0.5508 7 N -2.8044 0.9998 -0.0021 N.am 1 UNL1111111111 -0.5874 8 C -3.3899 0.0348 0.9342 C.3 1 UNL1111111111 -0.0032 9 C -2.1823 -0.6943 1.5456 C.2 1 UNL1111111111 0.5456 10 O -1.5884 -0.1749 2.4715 O.2 1 UNL1111111111 -0.5212 11 N -1.7003 -1.9100 1.0785 N.am 1 UNL1111111111 -0.5080 12 C -4.4297 -0.8890 0.2725 C.3 1 UNL1111111111 -0.1227 13 C -5.7894 -0.1452 0.2149 C.3 1 UNL1111111111 -0.1079 14 N -6.8455 -1.1076 -0.1708 N.3 1 UNL1111111111 -0.6556 15 C -4.0471 -1.3424 -1.1431 C.3 1 UNL1111111111 -0.2650 16 C -2.6324 -1.9093 -1.2681 C.3 1 UNL1111111111 -0.3284 17 C -2.2077 -2.7289 -0.0436 C.3 1 UNL1111111111 0.1164 18 C -1.0403 -3.6896 -0.4117 C.3 1 UNL1111111111 -0.3022 19 C 0.0384 -3.5026 0.6667 C.3 1 UNL1111111111 -0.2844 20 C -0.2609 -2.1283 1.2870 C.3 1 UNL1111111111 0.0158 21 C 0.5218 -1.0240 0.5442 C.2 1 UNL1111111111 0.5748 22 O 0.0270 -0.3275 -0.3215 O.2 1 UNL1111111111 -0.5747 23 N 1.8394 -0.8796 0.9061 N.am 1 UNL1111111111 -0.6048 24 C 2.6524 0.1599 0.2496 C.3 1 UNL1111111111 0.0838 25 C 3.9394 0.3648 1.0187 C.ar 1 UNL1111111111 -0.0400 26 C 4.2715 1.6469 1.4567 C.ar 1 UNL1111111111 -0.1454 27 C 5.4579 1.8570 2.1563 C.ar 1 UNL1111111111 -0.1381 28 C 6.3114 0.7885 2.4247 C.ar 1 UNL1111111111 -0.1450 29 C 5.9797 -0.4930 1.9867 C.ar 1 UNL1111111111 -0.1419 30 C 4.7967 -0.7050 1.2833 C.ar 1 UNL1111111111 -0.1599 31 C 2.9726 -0.2131 -1.1845 C.ar 1 UNL1111111111 -0.0164 32 C 2.9252 0.7820 -2.1618 C.ar 1 UNL1111111111 -0.1493 33 C 3.2210 0.4712 -3.4865 C.ar 1 UNL1111111111 -0.1381 34 C 3.5657 -0.8324 -3.8382 C.ar 1 UNL1111111111 -0.1525 35 C 3.6107 -1.8267 -2.8626 C.ar 1 UNL1111111111 -0.1447 36 C 3.3116 -1.5196 -1.5377 C.ar 1 UNL1111111111 -0.1537 37 H 1.1044 3.4999 -1.9186 H 1 UNL1111111111 0.1349 38 H -0.4062 3.7054 -2.8127 H 1 UNL1111111111 0.1432 39 H 0.0169 4.8568 -1.5537 H 1 UNL1111111111 0.1526 40 H -0.5389 1.8630 -1.0510 H 1 UNL1111111111 0.1604 41 H -0.1996 3.0488 0.2070 H 1 UNL1111111111 0.1478 42 H -2.6298 3.1975 -1.7380 H 1 UNL1111111111 0.1664 43 H -3.2725 4.8361 0.1043 H 1 UNL1111111111 0.2693 44 H -1.6692 4.9852 0.3797 H 1 UNL1111111111 0.2491 45 H -2.0681 0.6279 -0.5993 H 1 UNL1111111111 0.3326 46 H -3.8872 0.5999 1.7852 H 1 UNL1111111111 0.2021 47 H -4.5504 -1.7899 0.9236 H 1 UNL1111111111 0.1440 48 H -5.9978 0.3505 1.1878 H 1 UNL1111111111 0.1213 49 H -5.7407 0.6630 -0.5475 H 1 UNL1111111111 0.1514 50 H -7.0752 -1.7368 0.5760 H 1 UNL1111111111 0.2453 51 H -7.6825 -0.6431 -0.4765 H 1 UNL1111111111 0.2480 52 H -4.7935 -2.0968 -1.4741 H 1 UNL1111111111 0.1589 53 H -4.1664 -0.4976 -1.8515 H 1 UNL1111111111 0.1516 54 H -2.5818 -2.5409 -2.1770 H 1 UNL1111111111 0.1452 55 H -1.8901 -1.1035 -1.4514 H 1 UNL1111111111 0.1685 56 H -3.0778 -3.3164 0.3495 H 1 UNL1111111111 0.1427 57 H -1.3898 -4.7312 -0.4627 H 1 UNL1111111111 0.1450 58 H -0.6290 -3.4489 -1.4085 H 1 UNL1111111111 0.1539 59 H -0.0291 -4.2949 1.4341 H 1 UNL1111111111 0.1534 60 H 1.0538 -3.5627 0.2430 H 1 UNL1111111111 0.1514 61 H -0.0390 -2.0879 2.3851 H 1 UNL1111111111 0.1795 62 H 3.6070 2.4868 1.2559 H 1 UNL1111111111 0.1589 63 H 5.7169 2.8583 2.4970 H 1 UNL1111111111 0.1516 64 H 7.2361 0.9529 2.9746 H 1 UNL1111111111 0.1499 65 H 6.6472 -1.3279 2.1907 H 1 UNL1111111111 0.1495 66 H 4.5549 -1.7049 0.9272 H 1 UNL1111111111 0.1522 67 H 2.6482 1.8012 -1.8944 H 1 UNL1111111111 0.1545 68 H 3.1795 1.2463 -4.2487 H 1 UNL1111111111 0.1486 69 H 3.7983 -1.0749 -4.8729 H 1 UNL1111111111 0.1469 70 H 3.8798 -2.8444 -3.1354 H 1 UNL1111111111 0.1457 71 H 3.3371 -2.3021 -0.7835 H 1 UNL1111111111 0.1467 72 H 2.2533 -1.3824 1.6721 H 1 UNL1111111111 0.3190 73 H 2.0373 1.1118 0.2500 H 1 UNL1111111111 0.1743 @BOND 1 1 2 1 2 1 37 1 3 1 38 1 4 1 39 1 5 2 3 1 6 2 40 1 7 2 41 1 8 3 4 1 9 3 5 1 10 3 42 1 11 4 43 1 12 4 44 1 13 5 6 2 14 5 7 am 15 7 8 1 16 7 45 1 17 8 9 1 18 8 12 1 19 8 46 1 20 9 10 2 21 9 11 am 22 11 17 1 23 11 20 1 24 12 13 1 25 12 15 1 26 12 47 1 27 13 14 1 28 13 48 1 29 13 49 1 30 14 50 1 31 14 51 1 32 15 16 1 33 15 52 1 34 15 53 1 35 16 17 1 36 16 54 1 37 16 55 1 38 17 18 1 39 17 56 1 40 18 19 1 41 18 57 1 42 18 58 1 43 19 20 1 44 19 59 1 45 19 60 1 46 20 21 1 47 20 61 1 48 21 22 2 49 21 23 am 50 23 24 1 51 23 72 1 52 24 25 1 53 24 31 1 54 24 73 1 55 25 26 ar 56 25 30 ar 57 26 27 ar 58 26 62 1 59 27 28 ar 60 27 63 1 61 28 29 ar 62 28 64 1 63 29 30 ar 64 29 65 1 65 30 66 1 66 31 32 ar 67 31 36 ar 68 32 33 ar 69 32 67 1 70 33 34 ar 71 33 68 1 72 34 35 ar 73 34 69 1 74 35 36 ar 75 35 70 1 76 36 71 1