@MOLECULE n-(4-carboxybutanoyl)-l-alanyl-n-{[(2s)-1-ethyl-2-pyrrolidinyl]carbonyl}-l-alaninamide 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6746 -0.4471 1.3864 O.2 1 UNL1111111111 -0.3515 2 O -2.4026 -1.8782 0.9388 O.2 1 UNL1111111111 -0.4339 3 O 0.5216 0.4466 -0.3408 O.2 1 UNL1111111111 -0.5455 4 O 4.7270 -1.5965 0.4572 O.2 1 UNL1111111111 -0.5276 5 O 9.8826 2.1340 -0.6457 O.3 1 UNL1111111111 -0.5802 6 O 9.6349 -0.0328 -0.1761 O.2 1 UNL1111111111 -0.4928 7 N -6.7925 0.8087 0.0111 N.3 1 UNL1111111111 -0.4141 8 N -3.3942 -0.4062 -0.5194 N.am 1 UNL1111111111 -0.6901 9 N -0.0002 -1.7526 -0.4266 N.am 1 UNL1111111111 -0.5825 10 N 3.0696 -0.0637 0.4915 N.am 1 UNL1111111111 -0.6198 11 C -5.4086 0.9643 -0.4873 C.3 1 UNL1111111111 -0.0480 12 C -4.9475 2.4025 -0.1447 C.3 1 UNL1111111111 -0.2770 13 C -6.1752 3.0886 0.4763 C.3 1 UNL1111111111 -0.2763 14 C -7.3654 2.1714 0.1416 C.3 1 UNL1111111111 -0.1028 15 C -7.6051 -0.0982 -0.8297 C.3 1 UNL1111111111 -0.0945 16 C -4.5212 -0.0314 0.2790 C.2 1 UNL1111111111 0.5586 17 C -8.9558 -0.3432 -0.1449 C.3 1 UNL1111111111 -0.4445 18 C -2.3834 -1.2826 -0.1037 C.2 1 UNL1111111111 0.5518 19 C -1.2453 -1.4752 -1.1389 C.3 1 UNL1111111111 0.0203 20 C -1.6255 -2.6629 -2.0228 C.3 1 UNL1111111111 -0.4671 21 C 2.0521 -1.0736 0.7711 C.3 1 UNL1111111111 0.0368 22 C 0.7926 -0.6956 -0.0282 C.2 1 UNL1111111111 0.5528 23 C 1.6914 -1.1010 2.2593 C.3 1 UNL1111111111 -0.4683 24 C 5.3336 0.7154 0.0625 C.3 1 UNL1111111111 -0.3618 25 C 4.3950 -0.4353 0.3508 C.2 1 UNL1111111111 0.5949 26 C 6.7872 0.2388 0.0132 C.3 1 UNL1111111111 -0.2323 27 C 7.6873 1.4372 -0.2921 C.3 1 UNL1111111111 -0.3501 28 C 9.1248 1.0398 -0.3494 C.2 1 UNL1111111111 0.6451 29 H -5.3398 0.7877 -1.5900 H 1 UNL1111111111 0.1278 30 H -4.0960 2.4041 0.5614 H 1 UNL1111111111 0.1602 31 H -4.5958 2.9354 -1.0444 H 1 UNL1111111111 0.1402 32 H -6.3202 4.1092 0.0905 H 1 UNL1111111111 0.1380 33 H -6.0548 3.1732 1.5736 H 1 UNL1111111111 0.1566 34 H -7.8854 2.5113 -0.7776 H 1 UNL1111111111 0.1129 35 H -8.1118 2.1477 0.9605 H 1 UNL1111111111 0.1494 36 H -7.7571 0.2780 -1.8630 H 1 UNL1111111111 0.1067 37 H -7.0504 -1.0641 -0.9089 H 1 UNL1111111111 0.1427 38 H -9.4481 -1.2324 -0.5505 H 1 UNL1111111111 0.1450 39 H -9.6322 0.5080 -0.2658 H 1 UNL1111111111 0.1395 40 H -8.8131 -0.5082 0.9364 H 1 UNL1111111111 0.1725 41 H -3.2807 0.0376 -1.4247 H 1 UNL1111111111 0.3081 42 H -1.0962 -0.5442 -1.7562 H 1 UNL1111111111 0.1775 43 H 0.1062 -2.6793 -0.0401 H 1 UNL1111111111 0.3240 44 H -1.7941 -3.5752 -1.4308 H 1 UNL1111111111 0.1674 45 H -0.8354 -2.8865 -2.7507 H 1 UNL1111111111 0.1662 46 H -2.5465 -2.4680 -2.5835 H 1 UNL1111111111 0.1589 47 H 2.4448 -2.0824 0.4524 H 1 UNL1111111111 0.1850 48 H 2.7431 0.8880 0.3894 H 1 UNL1111111111 0.3302 49 H 2.5504 -1.4406 2.8546 H 1 UNL1111111111 0.1706 50 H 0.8542 -1.7776 2.4670 H 1 UNL1111111111 0.1643 51 H 1.4101 -0.1051 2.6284 H 1 UNL1111111111 0.1652 52 H 5.0527 1.1851 -0.9031 H 1 UNL1111111111 0.1677 53 H 5.2192 1.5007 0.8372 H 1 UNL1111111111 0.1653 54 H 6.9146 -0.5631 -0.7460 H 1 UNL1111111111 0.1711 55 H 7.0747 -0.2474 0.9695 H 1 UNL1111111111 0.1691 56 H 7.5553 2.2366 0.4731 H 1 UNL1111111111 0.1807 57 H 7.3956 1.9125 -1.2555 H 1 UNL1111111111 0.1807 58 H 10.8497 1.9459 -0.7023 H 1 UNL1111111111 0.3566 @BOND 1 1 16 2 2 2 18 2 3 3 22 2 4 4 25 2 5 5 28 1 6 5 58 1 7 6 28 2 8 7 11 1 9 7 14 1 10 7 15 1 11 8 16 am 12 8 18 am 13 8 41 1 14 9 19 1 15 9 22 am 16 9 43 1 17 10 21 1 18 10 25 am 19 10 48 1 20 11 12 1 21 11 16 1 22 11 29 1 23 12 13 1 24 12 30 1 25 12 31 1 26 13 14 1 27 13 32 1 28 13 33 1 29 14 34 1 30 14 35 1 31 15 17 1 32 15 36 1 33 15 37 1 34 17 38 1 35 17 39 1 36 17 40 1 37 18 19 1 38 19 20 1 39 19 42 1 40 20 44 1 41 20 45 1 42 20 46 1 43 21 22 1 44 21 23 1 45 21 47 1 46 23 49 1 47 23 50 1 48 23 51 1 49 24 25 1 50 24 26 1 51 24 52 1 52 24 53 1 53 26 27 1 54 26 54 1 55 26 55 1 56 27 28 1 57 27 56 1 58 27 57 1