@MOLECULE n-[(1r)-1-carboxy-3-phenylpropyl]-l-alanyl-d-proline 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4441 3.2052 0.2791 O.2 1 UNL1111111111 -0.4911 2 O 2.5690 1.7504 2.5258 O.3 1 UNL1111111111 -0.5693 3 OXT 1.0228 0.3328 1.7722 O.2 1 UNL1111111111 -0.4957 4 O -2.4131 -1.0465 2.1633 O.3 1 UNL1111111111 -0.5488 5 OXT -4.2443 -0.4536 1.0338 O.2 1 UNL1111111111 -0.5140 6 N 0.9255 1.7328 -0.6933 N.am 1 UNL1111111111 -0.5318 7 N -2.4389 1.1320 -0.4762 N.3 1 UNL1111111111 -0.5528 8 CA 1.9966 2.0223 0.2574 C.3 1 UNL1111111111 0.0447 9 CB 3.2855 1.5025 -0.4124 C.3 1 UNL1111111111 -0.2754 10 CG 2.8232 0.4759 -1.4637 C.3 1 UNL1111111111 -0.2852 11 CD 1.2830 0.5899 -1.5466 C.3 1 UNL1111111111 -0.0640 12 C -0.3299 2.2955 -0.5109 C.2 1 UNL1111111111 0.5709 13 CA -1.4847 1.7828 -1.3901 C.3 1 UNL1111111111 0.0143 14 C 1.7582 1.2554 1.5545 C.2 1 UNL1111111111 0.6092 15 CA -2.0425 -0.2040 -0.0166 C.3 1 UNL1111111111 -0.0194 16 C -2.1091 -1.3111 -1.0899 C.3 1 UNL1111111111 -0.3119 17 CB -2.1449 3.0037 -2.0381 C.3 1 UNL1111111111 -0.4566 18 C -1.6088 -2.6579 -0.5523 C.3 1 UNL1111111111 -0.2816 19 C -3.0468 -0.5467 1.0763 C.2 1 UNL1111111111 0.6432 20 C -0.1175 -2.6767 -0.4054 C.ar 1 UNL1111111111 0.0019 21 C 0.6892 -3.0797 -1.4721 C.ar 1 UNL1111111111 -0.1870 22 C 0.4719 -2.3061 0.8050 C.ar 1 UNL1111111111 -0.1481 23 C 2.0730 -3.1309 -1.3224 C.ar 1 UNL1111111111 -0.1529 24 C 1.8562 -2.3561 0.9513 C.ar 1 UNL1111111111 -0.1244 25 C 2.6587 -2.7753 -0.1084 C.ar 1 UNL1111111111 -0.1815 26 HA 2.0318 3.1239 0.4790 H 1 UNL1111111111 0.1947 27 HB1 3.8310 2.3364 -0.8886 H 1 UNL1111111111 0.1543 28 HB2 3.9827 1.0600 0.3184 H 1 UNL1111111111 0.1569 29 HG1 3.2892 0.6722 -2.4420 H 1 UNL1111111111 0.1449 30 HG2 3.1191 -0.5493 -1.1772 H 1 UNL1111111111 0.1560 31 HD1 0.9496 0.7749 -2.5873 H 1 UNL1111111111 0.1335 32 HD2 0.8002 -0.3469 -1.1816 H 1 UNL1111111111 0.1533 33 HA -1.1138 1.0904 -2.1870 H 1 UNL1111111111 0.1257 34 HA -1.0021 -0.1449 0.4239 H 1 UNL1111111111 0.2048 35 H -3.3955 1.1590 -0.8280 H 1 UNL1111111111 0.2894 36 H -3.1493 -1.4178 -1.4575 H 1 UNL1111111111 0.1565 37 H -1.5080 -1.0143 -1.9699 H 1 UNL1111111111 0.1468 38 HB1 -2.5154 3.6990 -1.2638 H 1 UNL1111111111 0.1880 39 HB2 -1.4310 3.5640 -2.6520 H 1 UNL1111111111 0.1552 40 HB3 -2.9924 2.7258 -2.6718 H 1 UNL1111111111 0.1485 41 H -1.9391 -3.4723 -1.2306 H 1 UNL1111111111 0.1511 42 H -2.0942 -2.8882 0.4215 H 1 UNL1111111111 0.1645 43 H 2.4330 1.3293 3.4093 H 1 UNL1111111111 0.3564 44 H 0.2369 -3.3658 -2.4183 H 1 UNL1111111111 0.1482 45 H -0.1475 -1.9658 1.6401 H 1 UNL1111111111 0.1820 46 H -3.0168 -1.2392 2.9228 H 1 UNL1111111111 0.3531 47 H 2.6963 -3.4580 -2.1513 H 1 UNL1111111111 0.1443 48 H 2.3065 -2.0626 1.8983 H 1 UNL1111111111 0.1532 49 H 3.7372 -2.8311 0.0140 H 1 UNL1111111111 0.1462 @BOND 1 1 12 2 2 2 14 1 3 2 43 1 4 3 14 2 5 4 19 1 6 4 46 1 7 5 19 2 8 6 8 1 9 6 11 1 10 6 12 am 11 7 13 1 12 7 15 1 13 7 35 1 14 8 9 1 15 8 14 1 16 8 26 1 17 9 10 1 18 9 27 1 19 9 28 1 20 10 11 1 21 10 29 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 13 1 26 13 17 1 27 13 33 1 28 15 16 1 29 15 19 1 30 15 34 1 31 16 18 1 32 16 36 1 33 16 37 1 34 17 38 1 35 17 39 1 36 17 40 1 37 18 20 1 38 18 41 1 39 18 42 1 40 20 21 ar 41 20 22 ar 42 21 23 ar 43 21 44 1 44 22 24 ar 45 22 45 1 46 23 25 ar 47 23 47 1 48 24 25 ar 49 24 48 1 50 25 49 1