@MOLECULE 3-benzoyl-n-[(2s,3r)-4-(cyclopropylamino)-3-hydroxy-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]benzamide 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.7363 5.3781 1.1708 C.3 1 UNL1111111111 -0.3877 2 C -3.9234 4.1456 1.5557 C.3 1 UNL1111111111 0.0329 3 C -4.6190 4.9701 2.6206 C.3 1 UNL1111111111 -0.3377 4 N -4.3990 2.8019 1.3104 N.3 1 UNL1111111111 -0.5289 5 C -4.0520 2.3279 -0.0477 C.3 1 UNL1111111111 -0.1636 6 C -4.3654 0.8208 -0.1066 C.3 1 UNL1111111111 0.1148 7 C -3.3686 0.0649 -1.0324 C.3 1 UNL1111111111 0.0431 8 N -2.0379 0.1243 -0.4247 N.am 1 UNL1111111111 -0.5929 9 C -0.9892 0.7097 -1.1101 C.2 1 UNL1111111111 0.5819 10 O -1.1845 1.3800 -2.1035 O.2 1 UNL1111111111 -0.5192 11 O -5.6745 0.6043 -0.5749 O.3 1 UNL1111111111 -0.5580 12 C -3.8264 -1.4070 -1.1920 C.3 1 UNL1111111111 -0.3257 13 C 0.3565 0.5002 -0.5077 C.ar 1 UNL1111111111 -0.0986 14 C 0.7533 -0.7692 -0.0964 C.ar 1 UNL1111111111 -0.1448 15 C 2.0006 -0.9230 0.5055 C.ar 1 UNL1111111111 -0.1166 16 C 2.8609 0.1616 0.6497 C.ar 1 UNL1111111111 -0.1372 17 C 2.4763 1.4304 0.1816 C.ar 1 UNL1111111111 0.1908 18 C 1.2069 1.5955 -0.3928 C.ar 1 UNL1111111111 -0.1490 19 C 2.4486 -2.2478 1.0092 C.2 1 UNL1111111111 0.4580 20 N 3.3826 2.5061 0.3736 N.pl3 1 UNL1111111111 -0.7296 21 O 3.6201 -2.5475 1.0061 O.2 1 UNL1111111111 -0.4305 22 C 2.7546 3.8253 0.5575 C.3 1 UNL1111111111 -0.2354 23 C 1.6016 -4.5526 1.3140 C.ar 1 UNL1111111111 -0.0842 24 C 0.6557 -5.4573 1.7922 C.ar 1 UNL1111111111 -0.1720 25 C -0.4582 -4.9949 2.4912 C.ar 1 UNL1111111111 -0.1132 26 C -0.6267 -3.6290 2.7192 C.ar 1 UNL1111111111 -0.1671 27 C 0.3153 -2.7222 2.2406 C.ar 1 UNL1111111111 -0.1110 28 C 1.4226 -3.1855 1.5284 C.ar 1 UNL1111111111 -0.1483 29 S 4.8670 2.5027 -0.5950 S.O2 1 UNL1111111111 2.3465 30 C 5.9776 1.5508 0.4002 C.3 1 UNL1111111111 -0.7453 31 O 4.5917 1.7900 -1.8119 O.2 1 UNL1111111111 -0.8821 32 O 5.3050 3.8770 -0.6126 O.2 1 UNL1111111111 -0.9012 33 C -2.1911 -3.2378 -0.6888 C.ar 1 UNL1111111111 -0.1985 34 C -1.0777 -4.0046 -1.0252 C.ar 1 UNL1111111111 -0.1447 35 C -0.4404 -3.8171 -2.2489 C.ar 1 UNL1111111111 -0.1654 36 C -0.9337 -2.8737 -3.1495 C.ar 1 UNL1111111111 -0.1249 37 C -2.0527 -2.1132 -2.8222 C.ar 1 UNL1111111111 -0.1714 38 C -2.6765 -2.2821 -1.5832 C.ar 1 UNL1111111111 0.0187 39 H -4.2281 6.2688 0.8182 H 1 UNL1111111111 0.1610 40 H -5.6838 5.2656 0.6563 H 1 UNL1111111111 0.1592 41 H -2.8266 4.1954 1.4788 H 1 UNL1111111111 0.1628 42 H -5.4847 4.5703 3.1409 H 1 UNL1111111111 0.1608 43 H -4.0242 5.5670 3.3055 H 1 UNL1111111111 0.1595 44 H -5.3978 2.6991 1.4901 H 1 UNL1111111111 0.2665 45 H -2.9648 2.5061 -0.2229 H 1 UNL1111111111 0.1714 46 H -4.5917 2.8728 -0.8503 H 1 UNL1111111111 0.1247 47 H -4.3956 0.3697 0.9139 H 1 UNL1111111111 0.1661 48 H -3.3387 0.5576 -2.0421 H 1 UNL1111111111 0.1717 49 H -1.8802 -0.4671 0.3761 H 1 UNL1111111111 0.3164 50 H -5.8178 1.0067 -1.4536 H 1 UNL1111111111 0.3154 51 H -4.3058 -1.7620 -0.2572 H 1 UNL1111111111 0.1624 52 H -4.6372 -1.4574 -1.9480 H 1 UNL1111111111 0.1681 53 H 0.1072 -1.6367 -0.2610 H 1 UNL1111111111 0.1775 54 H 3.8279 0.0138 1.1332 H 1 UNL1111111111 0.1724 55 H 0.8850 2.5660 -0.7761 H 1 UNL1111111111 0.1802 56 H 1.9578 3.7597 1.3187 H 1 UNL1111111111 0.1461 57 H 3.5098 4.5440 0.9353 H 1 UNL1111111111 0.1690 58 H 2.3267 4.2523 -0.3663 H 1 UNL1111111111 0.1390 59 H 2.4846 -4.9054 0.7767 H 1 UNL1111111111 0.1683 60 H 0.7905 -6.5242 1.6243 H 1 UNL1111111111 0.1556 61 H -1.1974 -5.7024 2.8644 H 1 UNL1111111111 0.1501 62 H -1.4919 -3.2727 3.2748 H 1 UNL1111111111 0.1546 63 H 0.1911 -1.6556 2.4299 H 1 UNL1111111111 0.1578 64 H 5.9715 0.4839 0.1270 H 1 UNL1111111111 0.2008 65 H 7.0151 1.8987 0.2835 H 1 UNL1111111111 0.1958 66 H 5.7479 1.6165 1.4730 H 1 UNL1111111111 0.1932 67 H -2.6781 -3.3893 0.2713 H 1 UNL1111111111 0.1492 68 H -0.7021 -4.7490 -0.3236 H 1 UNL1111111111 0.1529 69 H 0.4386 -4.4058 -2.5020 H 1 UNL1111111111 0.1541 70 H -0.4380 -2.7251 -4.1081 H 1 UNL1111111111 0.1556 71 H -2.4289 -1.3709 -3.5245 H 1 UNL1111111111 0.1597 @BOND 1 1 2 1 2 1 3 1 3 1 39 1 4 1 40 1 5 2 3 1 6 2 4 1 7 2 41 1 8 3 42 1 9 3 43 1 10 4 5 1 11 4 44 1 12 5 6 1 13 5 45 1 14 5 46 1 15 6 7 1 16 6 11 1 17 6 47 1 18 7 8 1 19 7 12 1 20 7 48 1 21 8 9 am 22 8 49 1 23 9 10 2 24 9 13 1 25 11 50 1 26 12 38 1 27 12 51 1 28 12 52 1 29 13 14 ar 30 13 18 ar 31 14 15 ar 32 14 53 1 33 15 16 ar 34 15 19 1 35 16 17 ar 36 16 54 1 37 17 18 ar 38 17 20 1 39 18 55 1 40 19 21 2 41 19 28 1 42 20 22 1 43 20 29 1 44 22 56 1 45 22 57 1 46 22 58 1 47 23 24 ar 48 23 28 ar 49 23 59 1 50 24 25 ar 51 24 60 1 52 25 26 ar 53 25 61 1 54 26 27 ar 55 26 62 1 56 27 28 ar 57 27 63 1 58 29 30 1 59 29 31 2 60 29 32 2 61 30 64 1 62 30 65 1 63 30 66 1 64 33 34 ar 65 33 38 ar 66 33 67 1 67 34 35 ar 68 34 68 1 69 35 36 ar 70 35 69 1 71 36 37 ar 72 36 70 1 73 37 38 ar 74 37 71 1