@MOLECULE 3-{[(4r,5s,6s,7r)-4,7-dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-n-(1,3-thiazol-2-yl)benzamide 79 84 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.9180 -0.6433 2.0150 C.2 1 UNL1111111111 0.7018 2 C 0.1270 0.3763 3.2798 C.3 1 UNL1111111111 -0.0533 3 C 1.1710 1.6027 1.2682 C.3 1 UNL1111111111 0.0781 4 C 0.3448 1.2732 -0.0070 C.3 1 UNL1111111111 0.0796 5 C 0.4631 -0.2159 -0.3699 C.3 1 UNL1111111111 0.0423 6 C 1.9305 -0.7027 -0.4969 C.3 1 UNL1111111111 0.0716 7 C 3.7610 -1.7091 0.8554 C.3 1 UNL1111111111 -0.0655 8 C -0.9102 -0.6048 2.7935 C.ar 1 UNL1111111111 -0.0766 9 C -1.9417 -0.1453 1.9765 C.ar 1 UNL1111111111 -0.0714 10 C -2.6834 -1.0647 1.2356 C.ar 1 UNL1111111111 -0.1997 11 C -2.5235 -2.4360 1.4323 C.ar 1 UNL1111111111 -0.1002 12 C -1.5896 -2.8851 2.3624 C.ar 1 UNL1111111111 -0.1698 13 C -0.7642 -1.9740 3.0220 C.ar 1 UNL1111111111 -0.0891 14 C -3.4834 -0.5347 0.1065 C.2 1 UNL1111111111 0.6042 15 C -5.7174 -0.5284 -0.9073 C.ar 1 UNL1111111111 0.2687 16 C -6.5512 0.3863 -2.7821 C.ar 1 UNL1111111111 0.0492 17 C -7.7062 -0.2113 -2.3660 C.ar 1 UNL1111111111 -0.3734 18 C 0.7122 2.9431 1.8799 C.3 1 UNL1111111111 -0.3041 19 C 1.1098 4.0586 0.9618 C.ar 1 UNL1111111111 0.0090 20 C 0.2286 4.4901 -0.0323 C.ar 1 UNL1111111111 -0.1606 21 C 0.6047 5.5102 -0.9015 C.ar 1 UNL1111111111 -0.1445 22 C 1.8603 6.1045 -0.7794 C.ar 1 UNL1111111111 -0.1624 23 C 2.7399 5.6748 0.2126 C.ar 1 UNL1111111111 -0.1460 24 C 2.3675 4.6523 1.0825 C.ar 1 UNL1111111111 -0.1780 25 C 2.7149 0.1854 -1.4937 C.3 1 UNL1111111111 -0.3029 26 C 3.7957 -0.5901 -2.1804 C.ar 1 UNL1111111111 0.0345 27 C 3.4595 -1.6474 -3.0311 C.ar 1 UNL1111111111 -0.1865 28 C 4.4600 -2.3908 -3.6499 C.ar 1 UNL1111111111 -0.1399 29 C 5.8009 -2.0771 -3.4310 C.ar 1 UNL1111111111 -0.1674 30 C 6.1375 -1.0107 -2.5998 C.ar 1 UNL1111111111 -0.1420 31 C 5.1384 -0.2656 -1.9772 C.ar 1 UNL1111111111 -0.1826 32 C 3.4400 -3.0910 0.3187 C.3 1 UNL1111111111 -0.1995 33 C 3.8975 -4.3106 1.0924 C.3 1 UNL1111111111 -0.3097 34 C 2.4312 -3.9682 1.0285 C.3 1 UNL1111111111 -0.3105 35 N 1.1939 0.5281 2.2698 N.am 1 UNL1111111111 -0.5086 36 N 2.6445 -0.7344 0.8012 N.am 1 UNL1111111111 -0.5343 37 N -4.8381 -0.9042 0.0939 N.am 1 UNL1111111111 -0.5383 38 N -5.4351 0.2068 -1.9628 N.ar 1 UNL1111111111 -0.3888 39 O 2.0309 -1.4752 2.9009 O.2 1 UNL1111111111 -0.5859 40 O -0.9859 1.6359 0.2578 O.3 1 UNL1111111111 -0.6132 41 O -0.0625 -0.4179 -1.6677 O.3 1 UNL1111111111 -0.5543 42 O -2.9993 0.1543 -0.7643 O.2 1 UNL1111111111 -0.4735 43 S -7.4508 -1.0637 -0.8673 S.2 1 UNL1111111111 0.1205 44 H 0.6071 0.0186 4.2266 H 1 UNL1111111111 0.1695 45 H -0.3227 1.3662 3.5093 H 1 UNL1111111111 0.1566 46 H 2.2507 1.7276 0.9407 H 1 UNL1111111111 0.1705 47 H 0.6772 1.9194 -0.8556 H 1 UNL1111111111 0.1521 48 H -0.1049 -0.8569 0.3413 H 1 UNL1111111111 0.1402 49 H 1.8626 -1.7473 -0.9203 H 1 UNL1111111111 0.1638 50 H 4.5951 -1.2613 0.2608 H 1 UNL1111111111 0.1554 51 H 4.1276 -1.7735 1.9082 H 1 UNL1111111111 0.1644 52 H -2.1266 0.9308 1.8808 H 1 UNL1111111111 0.1903 53 H -3.1033 -3.1518 0.8508 H 1 UNL1111111111 0.1570 54 H -1.4746 -3.9520 2.5492 H 1 UNL1111111111 0.1617 55 H 0.0239 -2.3338 3.6923 H 1 UNL1111111111 0.1837 56 H -6.4028 0.9847 -3.6778 H 1 UNL1111111111 0.1875 57 H -8.6633 -0.1913 -2.8532 H 1 UNL1111111111 0.1937 58 H -0.3881 2.9426 2.0381 H 1 UNL1111111111 0.1745 59 H 1.1676 3.0759 2.8825 H 1 UNL1111111111 0.1572 60 H -0.7507 4.0143 -0.1308 H 1 UNL1111111111 0.1776 61 H -0.0813 5.8426 -1.6779 H 1 UNL1111111111 0.1484 62 H 2.1531 6.9017 -1.4580 H 1 UNL1111111111 0.1445 63 H 3.7192 6.1382 0.3075 H 1 UNL1111111111 0.1435 64 H 3.0579 4.3164 1.8531 H 1 UNL1111111111 0.1520 65 H 2.0064 0.5808 -2.2597 H 1 UNL1111111111 0.1835 66 H 3.1234 1.0729 -0.9712 H 1 UNL1111111111 0.1602 67 H 2.4111 -1.8849 -3.2125 H 1 UNL1111111111 0.1637 68 H 4.1957 -3.2163 -4.3072 H 1 UNL1111111111 0.1475 69 H 6.5818 -2.6611 -3.9110 H 1 UNL1111111111 0.1458 70 H 7.1832 -0.7605 -2.4350 H 1 UNL1111111111 0.1443 71 H 5.4068 0.5674 -1.3303 H 1 UNL1111111111 0.1555 72 H 3.4894 -3.1398 -0.7771 H 1 UNL1111111111 0.1617 73 H 4.2785 -5.1713 0.5518 H 1 UNL1111111111 0.1511 74 H 4.4349 -4.1871 2.0287 H 1 UNL1111111111 0.1579 75 H 1.9354 -3.5871 1.9225 H 1 UNL1111111111 0.1771 76 H 1.7515 -4.5831 0.4495 H 1 UNL1111111111 0.1493 77 H -5.1988 -1.4495 0.8753 H 1 UNL1111111111 0.3324 78 H -1.6418 1.1709 -0.3021 H 1 UNL1111111111 0.3575 79 H -1.0387 -0.2861 -1.6636 H 1 UNL1111111111 0.3412 @BOND 1 1 35 am 2 1 36 am 3 1 39 2 4 2 8 1 5 2 35 1 6 2 44 1 7 2 45 1 8 3 4 1 9 3 18 1 10 3 35 1 11 3 46 1 12 4 5 1 13 4 40 1 14 4 47 1 15 5 6 1 16 5 41 1 17 5 48 1 18 6 25 1 19 6 36 1 20 6 49 1 21 7 32 1 22 7 36 1 23 7 50 1 24 7 51 1 25 8 9 ar 26 8 13 ar 27 9 10 ar 28 9 52 1 29 10 11 ar 30 10 14 1 31 11 12 ar 32 11 53 1 33 12 13 ar 34 12 54 1 35 13 55 1 36 14 37 am 37 14 42 2 38 15 37 1 39 15 38 ar 40 15 43 ar 41 16 17 ar 42 16 38 ar 43 16 56 1 44 17 43 ar 45 17 57 1 46 18 19 1 47 18 58 1 48 18 59 1 49 19 20 ar 50 19 24 ar 51 20 21 ar 52 20 60 1 53 21 22 ar 54 21 61 1 55 22 23 ar 56 22 62 1 57 23 24 ar 58 23 63 1 59 24 64 1 60 25 26 1 61 25 65 1 62 25 66 1 63 26 27 ar 64 26 31 ar 65 27 28 ar 66 27 67 1 67 28 29 ar 68 28 68 1 69 29 30 ar 70 29 69 1 71 30 31 ar 72 30 70 1 73 31 71 1 74 32 33 1 75 32 34 1 76 32 72 1 77 33 34 1 78 33 73 1 79 33 74 1 80 34 75 1 81 34 76 1 82 37 77 1 83 40 78 1 84 41 79 1