@MOLECULE n~2~-(4-morpholinylcarbonyl)-n-[1-phenyl-5-(phenylsulfonyl)-3-pentanyl]leucinamide 76 78 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.2400 -2.5757 -0.5645 N.am 1 UNL1111111111 -0.6030 2 C -2.4287 -2.7114 0.1289 C.2 1 UNL1111111111 0.6948 3 O -2.5262 -2.3870 1.2989 O.2 1 UNL1111111111 -0.5758 4 N -3.4863 -3.3193 -0.6198 N.am 1 UNL1111111111 -0.4759 5 C -4.6152 -3.7541 0.2334 C.3 1 UNL1111111111 -0.1278 6 C -5.5317 -2.5779 0.6096 C.3 1 UNL1111111111 -0.0800 7 O -5.9724 -1.9092 -0.5597 O.3 1 UNL1111111111 -0.3709 8 C -4.9048 -1.3925 -1.3294 C.3 1 UNL1111111111 -0.0784 9 C -3.9707 -2.5349 -1.7759 C.3 1 UNL1111111111 -0.1340 10 C -0.0574 -2.0953 0.1487 C.3 1 UNL1111111111 0.0055 11 C 0.2807 -0.7271 -0.4797 C.2 1 UNL1111111111 0.5551 12 O 0.8676 -0.6222 -1.5389 O.2 1 UNL1111111111 -0.5596 13 N -0.1437 0.3639 0.2333 N.am 1 UNL1111111111 -0.5979 14 C 0.0602 1.7302 -0.2782 C.3 1 UNL1111111111 0.1019 15 C 1.3552 2.3219 0.3327 C.3 1 UNL1111111111 -0.2767 16 C 2.5612 1.9250 -0.5140 C.3 1 UNL1111111111 -0.5939 17 S 4.1218 2.1669 0.3401 S.O2 1 UNL1111111111 2.2017 18 O 4.7385 3.3531 -0.2165 O.2 1 UNL1111111111 -0.9090 19 O 3.8893 2.0506 1.7678 O.2 1 UNL1111111111 -0.9169 20 C 5.0860 0.7696 -0.1537 C.ar 1 UNL1111111111 -0.3877 21 C 5.6384 0.7231 -1.4314 C.ar 1 UNL1111111111 -0.0746 22 C 6.3896 -0.3839 -1.8231 C.ar 1 UNL1111111111 -0.1734 23 C 6.6012 -1.4331 -0.9296 C.ar 1 UNL1111111111 -0.1061 24 C 6.0648 -1.3745 0.3551 C.ar 1 UNL1111111111 -0.1792 25 C 5.3015 -0.2734 0.7429 C.ar 1 UNL1111111111 -0.0691 26 C -1.1628 2.5917 0.0913 C.3 1 UNL1111111111 -0.3115 27 C -2.3951 2.1713 -0.7234 C.3 1 UNL1111111111 -0.2892 28 C -3.6113 2.8742 -0.2037 C.ar 1 UNL1111111111 0.0191 29 C -3.8500 4.2065 -0.5483 C.ar 1 UNL1111111111 -0.1818 30 C -4.9731 4.8643 -0.0529 C.ar 1 UNL1111111111 -0.1365 31 C -5.8646 4.1934 0.7829 C.ar 1 UNL1111111111 -0.1659 32 C -5.6287 2.8632 1.1247 C.ar 1 UNL1111111111 -0.1269 33 C -4.5027 2.2040 0.6359 C.ar 1 UNL1111111111 -0.1786 34 C 1.1330 -3.0497 -0.0189 C.3 1 UNL1111111111 -0.3216 35 C 2.2270 -2.7637 1.0270 C.3 1 UNL1111111111 -0.0517 36 C 1.7731 -3.1712 2.4327 C.3 1 UNL1111111111 -0.4558 37 C 3.4959 -3.5359 0.6467 C.3 1 UNL1111111111 -0.4583 38 H -1.1110 -2.9403 -1.4955 H 1 UNL1111111111 0.3303 39 H -5.1777 -4.5223 -0.3426 H 1 UNL1111111111 0.1549 40 H -4.2212 -4.2506 1.1475 H 1 UNL1111111111 0.1614 41 H -6.4769 -2.9143 1.0690 H 1 UNL1111111111 0.1443 42 H -5.0225 -1.8633 1.2829 H 1 UNL1111111111 0.1472 43 H -5.4239 -0.9204 -2.1828 H 1 UNL1111111111 0.1509 44 H -4.3673 -0.6198 -0.7523 H 1 UNL1111111111 0.1280 45 H -3.1193 -2.1409 -2.3663 H 1 UNL1111111111 0.1474 46 H -4.5242 -3.2407 -2.4389 H 1 UNL1111111111 0.1633 47 H -0.2984 -1.9883 1.2465 H 1 UNL1111111111 0.1886 48 H -0.6643 0.2612 1.0916 H 1 UNL1111111111 0.3199 49 H 0.1597 1.6827 -1.3976 H 1 UNL1111111111 0.1616 50 H 1.2739 3.4245 0.3992 H 1 UNL1111111111 0.1495 51 H 2.4625 0.8641 -0.8360 H 1 UNL1111111111 0.1990 52 H 5.5054 1.5509 -2.1344 H 1 UNL1111111111 0.1631 53 H 6.8160 -0.4258 -2.8227 H 1 UNL1111111111 0.1506 54 H 7.1914 -2.2955 -1.2342 H 1 UNL1111111111 0.1440 55 H 6.2457 -2.1844 1.0581 H 1 UNL1111111111 0.1498 56 H 4.8867 -0.2373 1.7576 H 1 UNL1111111111 0.1751 57 H -1.3793 2.5239 1.1752 H 1 UNL1111111111 0.1547 58 H -0.9420 3.6605 -0.0942 H 1 UNL1111111111 0.1528 59 H -2.2397 2.3992 -1.7978 H 1 UNL1111111111 0.1524 60 H -2.5239 1.0703 -0.6808 H 1 UNL1111111111 0.1530 61 H -3.1587 4.7315 -1.2031 H 1 UNL1111111111 0.1497 62 H -5.1556 5.9033 -0.3206 H 1 UNL1111111111 0.1473 63 H -6.7426 4.7079 1.1669 H 1 UNL1111111111 0.1497 64 H -6.3254 2.3362 1.7744 H 1 UNL1111111111 0.1513 65 H -4.3202 1.1678 0.9135 H 1 UNL1111111111 0.1532 66 H 0.7915 -4.0992 0.0714 H 1 UNL1111111111 0.1601 67 H 1.5561 -2.9525 -1.0406 H 1 UNL1111111111 0.1667 68 H 2.4584 -1.6700 1.0221 H 1 UNL1111111111 0.1361 69 H 2.5589 -2.9790 3.1722 H 1 UNL1111111111 0.1472 70 H 0.8853 -2.6163 2.7561 H 1 UNL1111111111 0.1452 71 H 1.5261 -4.2373 2.4830 H 1 UNL1111111111 0.1484 72 H 3.9047 -3.1849 -0.3078 H 1 UNL1111111111 0.1462 73 H 4.2771 -3.4095 1.4039 H 1 UNL1111111111 0.1438 74 H 3.3026 -4.6098 0.5519 H 1 UNL1111111111 0.1460 75 H 1.4618 1.9764 1.3855 H 1 UNL1111111111 0.1769 76 H 2.5652 2.5012 -1.4610 H 1 UNL1111111111 0.1795 @BOND 1 1 2 am 2 1 10 1 3 1 38 1 4 2 3 2 5 2 4 am 6 4 5 1 7 4 9 1 8 5 6 1 9 5 39 1 10 5 40 1 11 6 7 1 12 6 41 1 13 6 42 1 14 7 8 1 15 8 9 1 16 8 43 1 17 8 44 1 18 9 45 1 19 9 46 1 20 10 11 1 21 10 34 1 22 10 47 1 23 11 12 2 24 11 13 am 25 13 14 1 26 13 48 1 27 14 15 1 28 14 26 1 29 14 49 1 30 15 16 1 31 15 50 1 32 15 75 1 33 16 17 1 34 16 51 1 35 16 76 1 36 17 18 2 37 17 19 2 38 17 20 1 39 20 21 ar 40 20 25 ar 41 21 22 ar 42 21 52 1 43 22 23 ar 44 22 53 1 45 23 24 ar 46 23 54 1 47 24 25 ar 48 24 55 1 49 25 56 1 50 26 27 1 51 26 57 1 52 26 58 1 53 27 28 1 54 27 59 1 55 27 60 1 56 28 29 ar 57 28 33 ar 58 29 30 ar 59 29 61 1 60 30 31 ar 61 30 62 1 62 31 32 ar 63 31 63 1 64 32 33 ar 65 32 64 1 66 33 65 1 67 34 35 1 68 34 66 1 69 34 67 1 70 35 36 1 71 35 37 1 72 35 68 1 73 36 69 1 74 36 70 1 75 36 71 1 76 37 72 1 77 37 73 1 78 37 74 1