@MOLECULE (4r,5s,6s,7r)-1,3-dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3-diazepan-2-one 74 78 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.3311 0.6069 0.6928 N.am 1 UNL1111111111 -0.4880 2 C 0.0861 0.8109 1.2882 C.2 1 UNL1111111111 0.7009 3 N -1.0195 0.0369 0.8395 N.am 1 UNL1111111111 -0.5224 4 C -1.4465 0.0909 -0.5719 C.3 1 UNL1111111111 0.0047 5 C -0.4271 0.7821 -1.5057 C.3 1 UNL1111111111 0.0455 6 C 0.8626 -0.0312 -1.7067 C.3 1 UNL1111111111 0.0873 7 C 1.5021 -0.4084 -0.3431 C.3 1 UNL1111111111 0.0565 8 C 2.2757 1.7284 0.8350 C.3 1 UNL1111111111 -0.0645 9 C 1.9224 2.8642 -0.0915 C.ar 1 UNL1111111111 -0.0570 10 C 0.8800 3.7301 0.2465 C.ar 1 UNL1111111111 -0.1580 11 C 0.5004 4.7414 -0.6312 C.ar 1 UNL1111111111 -0.1585 12 C 1.1733 4.9016 -1.8418 C.ar 1 UNL1111111111 -0.1447 13 C 2.2317 4.0558 -2.1676 C.ar 1 UNL1111111111 -0.1706 14 C 2.6076 3.0364 -1.2940 C.ar 1 UNL1111111111 -0.1213 15 O -0.0054 1.5324 2.2662 O.2 1 UNL1111111111 -0.5648 16 C -2.1597 0.0227 1.7894 C.3 1 UNL1111111111 -0.0781 17 C -3.1095 1.1812 1.6216 C.ar 1 UNL1111111111 -0.0538 18 C -4.3008 1.0002 0.9156 C.ar 1 UNL1111111111 -0.1610 19 C -5.1682 2.0721 0.7214 C.ar 1 UNL1111111111 -0.1591 20 C -4.8497 3.3280 1.2354 C.ar 1 UNL1111111111 -0.1477 21 C -3.6687 3.5067 1.9535 C.ar 1 UNL1111111111 -0.1552 22 C -2.8022 2.4341 2.1520 C.ar 1 UNL1111111111 -0.1354 23 C -1.7283 -1.3528 -1.0491 C.3 1 UNL1111111111 -0.0548 24 O -3.0840 -1.5664 -0.6479 O.3 1 UNL1111111111 -0.3561 25 C -3.5399 -2.8461 -0.6467 C.ar 1 UNL1111111111 0.2683 26 C -4.7842 -2.9811 -0.0106 C.ar 1 UNL1111111111 -0.2569 27 C -5.3682 -4.2385 0.0443 C.ar 1 UNL1111111111 -0.0762 28 C -4.7271 -5.3432 -0.5232 C.ar 1 UNL1111111111 -0.2283 29 C -3.4960 -5.1870 -1.1532 C.ar 1 UNL1111111111 -0.0771 30 C -2.8861 -3.9344 -1.2231 C.ar 1 UNL1111111111 -0.3006 31 O -0.9777 0.8482 -2.8067 O.3 1 UNL1111111111 -0.5588 32 O 1.8221 0.7382 -2.3959 O.3 1 UNL1111111111 -0.5645 33 C 2.9776 -0.7622 -0.6153 C.3 1 UNL1111111111 -0.0611 34 O 3.3781 -1.4319 0.5790 O.3 1 UNL1111111111 -0.3282 35 C 4.6658 -1.8548 0.6534 C.ar 1 UNL1111111111 0.2578 36 C 4.9538 -2.4846 1.8761 C.ar 1 UNL1111111111 -0.2526 37 C 6.2324 -2.9786 2.0838 C.ar 1 UNL1111111111 -0.0803 38 C 7.2121 -2.8466 1.0944 C.ar 1 UNL1111111111 -0.2293 39 C 6.9083 -2.2140 -0.1069 C.ar 1 UNL1111111111 -0.0739 40 C 5.6289 -1.7089 -0.3434 C.ar 1 UNL1111111111 -0.3095 41 H -2.4147 0.6718 -0.6611 H 1 UNL1111111111 0.1730 42 H -0.1973 1.8198 -1.1614 H 1 UNL1111111111 0.1597 43 H 0.6713 -0.9391 -2.3255 H 1 UNL1111111111 0.1434 44 H 0.9903 -1.3425 0.0484 H 1 UNL1111111111 0.1816 45 H 2.2468 2.0695 1.9049 H 1 UNL1111111111 0.1825 46 H 3.3147 1.3650 0.6748 H 1 UNL1111111111 0.1570 47 H 0.3607 3.6109 1.2011 H 1 UNL1111111111 0.1771 48 H -0.3173 5.4098 -0.3683 H 1 UNL1111111111 0.1533 49 H 0.8773 5.6915 -2.5284 H 1 UNL1111111111 0.1471 50 H 2.7669 4.1906 -3.1044 H 1 UNL1111111111 0.1466 51 H 3.4264 2.3686 -1.5597 H 1 UNL1111111111 0.1573 52 H -2.6855 -0.9528 1.6370 H 1 UNL1111111111 0.1637 53 H -1.7532 -0.0013 2.8307 H 1 UNL1111111111 0.1731 54 H -4.5510 0.0196 0.5094 H 1 UNL1111111111 0.1589 55 H -6.0937 1.9280 0.1689 H 1 UNL1111111111 0.1472 56 H -5.5246 4.1661 1.0800 H 1 UNL1111111111 0.1440 57 H -3.4217 4.4843 2.3620 H 1 UNL1111111111 0.1495 58 H -1.8780 2.5753 2.7199 H 1 UNL1111111111 0.1847 59 H -1.6803 -1.4359 -2.1506 H 1 UNL1111111111 0.1493 60 H -1.0635 -2.0865 -0.5619 H 1 UNL1111111111 0.1459 61 H -5.2682 -2.1128 0.4268 H 1 UNL1111111111 0.1700 62 H -6.3325 -4.3671 0.5354 H 1 UNL1111111111 0.1493 63 H -5.1921 -6.3237 -0.4721 H 1 UNL1111111111 0.1535 64 H -3.0018 -6.0503 -1.5978 H 1 UNL1111111111 0.1459 65 H -1.9308 -3.8258 -1.7232 H 1 UNL1111111111 0.1630 66 H -1.7383 1.4645 -2.8378 H 1 UNL1111111111 0.3305 67 H 1.3942 1.2348 -3.1296 H 1 UNL1111111111 0.3420 68 H 3.0661 -1.4514 -1.4749 H 1 UNL1111111111 0.1422 69 H 3.6085 0.1255 -0.7952 H 1 UNL1111111111 0.1507 70 H 4.1769 -2.5721 2.6313 H 1 UNL1111111111 0.1748 71 H 6.4778 -3.4724 3.0238 H 1 UNL1111111111 0.1493 72 H 8.2105 -3.2377 1.2677 H 1 UNL1111111111 0.1529 73 H 7.6748 -2.1103 -0.8741 H 1 UNL1111111111 0.1451 74 H 5.4076 -1.2197 -1.2847 H 1 UNL1111111111 0.1631 @BOND 1 1 2 am 2 1 7 1 3 1 8 1 4 2 3 am 5 2 15 2 6 3 4 1 7 3 16 1 8 4 5 1 9 4 23 1 10 4 41 1 11 5 6 1 12 5 31 1 13 5 42 1 14 6 7 1 15 6 32 1 16 6 43 1 17 7 33 1 18 7 44 1 19 8 9 1 20 8 45 1 21 8 46 1 22 9 10 ar 23 9 14 ar 24 10 11 ar 25 10 47 1 26 11 12 ar 27 11 48 1 28 12 13 ar 29 12 49 1 30 13 14 ar 31 13 50 1 32 14 51 1 33 16 17 1 34 16 52 1 35 16 53 1 36 17 18 ar 37 17 22 ar 38 18 19 ar 39 18 54 1 40 19 20 ar 41 19 55 1 42 20 21 ar 43 20 56 1 44 21 22 ar 45 21 57 1 46 22 58 1 47 23 24 1 48 23 59 1 49 23 60 1 50 24 25 1 51 25 26 ar 52 25 30 ar 53 26 27 ar 54 26 61 1 55 27 28 ar 56 27 62 1 57 28 29 ar 58 28 63 1 59 29 30 ar 60 29 64 1 61 30 65 1 62 31 66 1 63 32 67 1 64 33 34 1 65 33 68 1 66 33 69 1 67 34 35 1 68 35 36 ar 69 35 40 ar 70 36 37 ar 71 36 70 1 72 37 38 ar 73 37 71 1 74 38 39 ar 75 38 72 1 76 39 40 ar 77 39 73 1 78 40 74 1