@MOLECULE n-[(2s)-1-ethoxy-1-oxo-4-phenyl-2-butanyl]-l-alanyl-n-1-pyrrolidinylglycine 60 61 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.2920 -1.9241 -0.9264 O.2 1 UNL1111111 -0.4695 2 O -0.7853 2.9267 0.6948 O.3 1 UNL1111111 -0.4922 3 O -2.1276 0.6048 0.9936 O.3 1 UNL1111111 -0.5903 4 O -0.0617 3.5269 -1.3449 O.2 1 UNL1111111 -0.4965 5 O -4.1285 1.4915 0.5769 O.2 1 UNL1111111 -0.5102 6 N -2.5535 -2.5898 0.4801 N.3 1 UNL1111111 -0.2334 7 N -2.4894 -1.5979 -0.5267 N.am 1 UNL1111111 -0.3810 8 N 0.1374 0.6442 -1.8117 N.3 1 UNL1111111 -0.5374 9 C -2.1347 -3.9249 -0.0518 C.3 1 UNL1111111 -0.1139 10 C -1.7047 -2.2862 1.6807 C.3 1 UNL1111111 -0.1365 11 C -1.0578 -3.6136 2.1109 C.3 1 UNL1111111 -0.2791 12 C -0.9733 -4.4395 0.8185 C.3 1 UNL1111111 -0.2895 13 C -1.2110 0.0647 -1.9545 C.3 1 UNL1111111 0.0016 14 C -1.2463 -1.1990 -1.0707 C.2 1 UNL1111111 0.5310 15 C 0.3937 1.2680 -0.5142 C.3 1 UNL1111111 -0.0088 16 C -3.6133 -0.6749 -0.3683 C.3 1 UNL1111111 -0.1344 17 C 1.9165 1.3049 -0.2652 C.3 1 UNL1111111 -0.2516 18 C -1.4255 -0.3824 -3.4028 C.3 1 UNL1111111 -0.4561 19 C 2.3736 -0.0858 0.2018 C.3 1 UNL1111111 -0.2872 20 C -0.1451 2.6997 -0.4797 C.2 1 UNL1111111 0.5511 21 C -3.3568 0.5778 0.4410 C.2 1 UNL1111111 0.6109 22 C 3.8653 -0.1828 0.2434 C.ar 1 UNL1111111 0.0336 23 C 4.5344 -1.0576 -0.6154 C.ar 1 UNL1111111 -0.1749 24 C 4.5947 0.5825 1.1570 C.ar 1 UNL1111111 -0.1852 25 C -1.3674 4.2313 0.8923 C.3 1 UNL1111111 0.0224 26 C 5.9212 -1.1717 -0.5543 C.ar 1 UNL1111111 -0.1419 27 C 5.9815 0.4699 1.2120 C.ar 1 UNL1111111 -0.1423 28 C 6.6470 -0.4098 0.3598 C.ar 1 UNL1111111 -0.1700 29 C -2.3821 4.0316 2.0021 C.3 1 UNL1111111 -0.4838 30 H -1.8595 -3.8932 -1.1232 H 1 UNL1111111 0.1498 31 H -2.3833 -1.8761 2.4547 H 1 UNL1111111 0.1447 32 H -0.9315 -1.5166 1.4804 H 1 UNL1111111 0.1523 33 H -3.0312 -4.5728 0.0381 H 1 UNL1111111 0.1412 34 H -0.0060 -4.2654 0.3110 H 1 UNL1111111 0.1604 35 H -1.0476 -5.5188 1.0080 H 1 UNL1111111 0.1370 36 H -1.6784 -4.1260 2.8652 H 1 UNL1111111 0.1387 37 H -0.0685 -3.4586 2.5652 H 1 UNL1111111 0.1453 38 H -2.0067 0.7926 -1.6580 H 1 UNL1111111 0.1291 39 H -0.0832 0.6545 0.3015 H 1 UNL1111111 0.1849 40 H -4.4737 -1.2260 0.1094 H 1 UNL1111111 0.2085 41 H -3.9759 -0.3778 -1.3847 H 1 UNL1111111 0.1793 42 H 0.3966 1.2389 -2.5972 H 1 UNL1111111 0.2928 43 H 2.1710 2.0721 0.4888 H 1 UNL1111111 0.1460 44 H 2.4546 1.5901 -1.1915 H 1 UNL1111111 0.1626 45 H -0.6040 -1.0377 -3.7352 H 1 UNL1111111 0.1779 46 H -1.4647 0.4709 -4.0896 H 1 UNL1111111 0.1572 47 H -2.3584 -0.9473 -3.5155 H 1 UNL1111111 0.1573 48 H 1.9509 -0.3178 1.2008 H 1 UNL1111111 0.1496 49 H 1.9366 -0.8582 -0.4787 H 1 UNL1111111 0.1892 50 H 3.9705 -1.6528 -1.3321 H 1 UNL1111111 0.1592 51 H 4.0787 1.2654 1.8275 H 1 UNL1111111 0.1505 52 H -0.5378 4.9029 1.1723 H 1 UNL1111111 0.1333 53 H -1.8264 4.5800 -0.0516 H 1 UNL1111111 0.1423 54 H -1.8337 1.5150 1.3003 H 1 UNL1111111 0.3895 55 H 6.4393 -1.8581 -1.2204 H 1 UNL1111111 0.1456 56 H 6.5473 1.0673 1.9235 H 1 UNL1111111 0.1442 57 H 7.7286 -0.5022 0.4085 H 1 UNL1111111 0.1461 58 H -2.8007 4.9913 2.3302 H 1 UNL1111111 0.1613 59 H -1.9341 3.5493 2.8810 H 1 UNL1111111 0.1597 60 H -3.2293 3.4064 1.6751 H 1 UNL1111111 0.1796 @BOND 1 46 18 1 2 45 18 1 3 47 18 1 4 18 13 1 5 42 8 1 6 13 8 1 7 13 38 1 8 13 14 1 9 8 15 1 10 41 16 1 11 4 20 2 12 50 23 1 13 55 26 1 14 44 17 1 15 30 9 1 16 14 1 2 17 14 7 am 18 23 26 ar 19 23 22 ar 20 26 28 ar 21 7 16 1 22 7 6 1 23 15 20 1 24 15 17 1 25 15 39 1 26 20 2 1 27 49 19 1 28 16 40 1 29 16 21 1 30 17 19 1 31 17 43 1 32 9 33 1 33 9 6 1 34 9 12 1 35 53 25 1 36 19 22 1 37 19 48 1 38 22 24 ar 39 34 12 1 40 28 57 1 41 28 27 ar 42 21 5 2 43 21 3 1 44 6 10 1 45 2 25 1 46 12 35 1 47 12 11 1 48 25 52 1 49 25 29 1 50 3 54 1 51 24 27 ar 52 24 51 1 53 27 56 1 54 32 10 1 55 60 29 1 56 10 11 1 57 10 31 1 58 29 58 1 59 29 59 1 60 11 37 1 61 11 36 1