@MOLECULE (2s)-3-methyl-2-[(2s,3r)-3-[(methylsulfonyl)amino]-1-{[2-(1-pyrrolidinylmethyl)-1,3-oxazol-4-yl]carbonyl}-2-pyrrolidinyl]butanoic acid 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1422 -1.4983 -2.1985 O.2 1 UNL1111 -0.5594 2 C 0.4407 -0.7217 -1.4520 C.2 1 UNL1111 0.6042 3 N -0.2673 -0.0701 -0.4799 N.am 1 UNL1111 -0.5014 4 C 0.2629 0.9160 0.4729 C.3 1 UNL1111 -0.0504 5 C -0.9399 1.3928 1.3015 C.3 1 UNL1111 -0.3232 6 C -2.2126 0.8133 0.6271 C.3 1 UNL1111 0.0877 7 N -2.8595 1.8819 -0.1407 N.3 1 UNL1111 -0.8950 8 S -4.5907 1.9186 -0.3053 S.O2 1 UNL1111 2.3732 9 C -5.0759 3.1776 0.8416 C.3 1 UNL1111 -0.7396 10 O -4.8350 2.3817 -1.6498 O.2 1 UNL1111 -0.9131 11 O -5.0995 0.6521 0.1652 O.2 1 UNL1111 -0.9213 12 C -1.7001 -0.3489 -0.2878 C.3 1 UNL1111 0.0561 13 C -1.9066 -1.7623 0.3112 C.3 1 UNL1111 -0.2488 14 C -3.3933 -2.1935 0.2733 C.3 1 UNL1111 -0.0619 15 C -3.8135 -2.4902 -1.1692 C.3 1 UNL1111 -0.4443 16 C -3.6029 -3.4411 1.1387 C.3 1 UNL1111 -0.4652 17 C -1.3991 -1.8270 1.7206 C.2 1 UNL1111 0.6598 18 O -1.7098 -1.1728 2.6849 O.2 1 UNL1111 -0.5531 19 C 1.8870 -0.5152 -1.6115 C.ar 1 UNL1111 -0.0867 20 N 2.6882 0.3876 -0.8856 N.ar 1 UNL1111 -0.4034 21 C 3.9173 0.2266 -1.3266 C.ar 1 UNL1111 0.2794 22 O 3.9845 -0.7410 -2.3324 O.2 1 UNL1111 -0.2069 23 C 2.7002 -1.1930 -2.4939 C.ar 1 UNL1111 0.0451 24 C 5.2048 0.8544 -0.9403 C.3 1 UNL1111 -0.1271 25 N 5.7833 0.0478 0.1641 N.3 1 UNL1111 -0.3937 26 C 7.2120 0.3797 0.4001 C.3 1 UNL1111 -0.1131 27 C 7.2811 1.4406 1.5248 C.3 1 UNL1111 -0.2987 28 C 5.8994 1.4079 2.2028 C.3 1 UNL1111 -0.2989 29 C 5.1047 0.3084 1.4608 C.3 1 UNL1111 -0.1183 30 O -0.4553 -2.7967 1.8400 O.3 1 UNL1111 -0.5547 31 H 0.7455 1.7529 -0.0795 H 1 UNL1111 0.1541 32 H 1.0512 0.4555 1.1078 H 1 UNL1111 0.1504 33 H -0.9836 2.4929 1.3572 H 1 UNL1111 0.1583 34 H -0.8738 1.0349 2.3453 H 1 UNL1111 0.1650 35 H -2.9147 0.4154 1.4063 H 1 UNL1111 0.1793 36 H -2.3245 2.1603 -0.9626 H 1 UNL1111 0.3130 37 H -4.5456 4.1233 0.6689 H 1 UNL1111 0.1871 38 H -6.1495 3.3967 0.7666 H 1 UNL1111 0.1871 39 H -4.8819 2.8829 1.8824 H 1 UNL1111 0.1908 40 H -2.2081 -0.3314 -1.2922 H 1 UNL1111 0.1769 41 H -1.3184 -2.4878 -0.3273 H 1 UNL1111 0.2133 42 H -4.0347 -1.3634 0.6727 H 1 UNL1111 0.1755 43 H -3.2022 -3.2804 -1.6196 H 1 UNL1111 0.1489 44 H -4.8617 -2.8095 -1.2113 H 1 UNL1111 0.1502 45 H -3.7316 -1.6040 -1.8096 H 1 UNL1111 0.1497 46 H -2.9052 -4.2431 0.8714 H 1 UNL1111 0.1529 47 H -3.4772 -3.2224 2.2053 H 1 UNL1111 0.1461 48 H -4.6189 -3.8342 1.0155 H 1 UNL1111 0.1515 49 H 2.5656 -1.9510 -3.2341 H 1 UNL1111 0.2027 50 H 5.9083 0.8374 -1.8095 H 1 UNL1111 0.1679 51 H 5.0428 1.9264 -0.6726 H 1 UNL1111 0.1572 52 H 7.7011 -0.5672 0.7212 H 1 UNL1111 0.1527 53 H 7.7256 0.7069 -0.5195 H 1 UNL1111 0.1319 54 H 8.0876 1.2099 2.2371 H 1 UNL1111 0.1411 55 H 7.5034 2.4390 1.1185 H 1 UNL1111 0.1363 56 H 5.9776 1.1854 3.2773 H 1 UNL1111 0.1412 57 H 5.3935 2.3829 2.1249 H 1 UNL1111 0.1386 58 H 4.0393 0.5758 1.3277 H 1 UNL1111 0.1537 59 H 5.1262 -0.6491 2.0257 H 1 UNL1111 0.1508 60 H -0.0816 -2.8807 2.7499 H 1 UNL1111 0.3485 @BOND 1 1 2 2 2 2 3 am 3 2 19 1 4 3 4 1 5 3 12 1 6 4 5 1 7 4 31 1 8 4 32 1 9 5 6 1 10 5 33 1 11 5 34 1 12 6 7 1 13 6 12 1 14 6 35 1 15 7 8 1 16 7 36 1 17 8 9 1 18 8 10 2 19 8 11 2 20 9 37 1 21 9 38 1 22 9 39 1 23 12 13 1 24 12 40 1 25 13 14 1 26 13 17 1 27 13 41 1 28 14 15 1 29 14 16 1 30 14 42 1 31 15 43 1 32 15 44 1 33 15 45 1 34 16 46 1 35 16 47 1 36 16 48 1 37 17 18 2 38 17 30 1 39 19 20 ar 40 19 23 ar 41 20 21 ar 42 21 22 ar 43 21 24 1 44 22 23 ar 45 23 49 1 46 24 25 1 47 24 50 1 48 24 51 1 49 25 26 1 50 25 29 1 51 26 27 1 52 26 52 1 53 26 53 1 54 27 28 1 55 27 54 1 56 27 55 1 57 28 29 1 58 28 56 1 59 28 57 1 60 29 58 1 61 29 59 1 62 30 60 1