@MOLECULE n-benzoyl-l-phenylalanylglycyl-l-proline 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2267 -2.2192 1.2402 O.3 1 PHE1111111111 -0.5574 2 O -2.4576 0.2367 1.0434 O.2 1 PHE1111111111 -0.4968 3 OXT -4.7290 -1.5465 -0.8315 O.2 1 PHE1111111111 -0.4877 4 O -0.1191 0.6430 -2.0173 O.2 1 PHE1111111111 -0.5242 5 O 1.3787 -0.9950 1.4383 O.2 0 UNK0 -0.5104 6 N -4.3467 1.1055 0.2112 N.am 1 PHE1 -0.5070 7 N -0.7459 1.8745 -0.2111 N.am 1 PHE1 -0.5564 8 N 2.0782 -0.3173 -0.6007 N.am 1 PHE1 -0.5904 9 CA -5.1544 0.1166 0.9360 C.3 1 PHE1 0.0362 10 CB -6.6071 0.5985 0.7620 C.3 1 PHE1 -0.2767 11 CG -6.6071 1.3815 -0.5646 C.3 1 PHE1 -0.2779 12 CD -5.1325 1.7495 -0.8541 C.3 1 PHE1 -0.0609 13 C -2.9680 0.9836 0.2358 C.2 1 PHE1 0.5385 14 C -4.9922 -1.2663 0.3050 C.2 1 PHE1 0.6056 15 CA -2.1384 1.8969 -0.6549 C.3 1 PHE1 -0.1614 16 CA 1.5852 1.0329 -0.3605 C.3 1 PHE1 0.0333 17 C 0.1569 1.1095 -0.9347 C.2 1 PHE1 0.5453 18 CB 2.4259 2.0912 -1.1101 C.3 1 PHE1 -0.3124 19 CG 3.6627 2.4321 -0.3381 C.ar 1 PHE1 0.0144 20 C 1.8605 -1.2926 0.3637 C.2 0 UNK0 0.5845 21 CD1 3.6497 3.4981 0.5642 C.ar 1 PHE1 -0.1733 22 CD2 4.8250 1.6772 -0.5058 C.ar 1 PHE1 -0.1542 23 C 2.3694 -2.6559 0.0594 C.ar 0 UNK0 -0.1254 24 CE1 4.7931 3.8044 1.2982 C.ar 1 PHE1 -0.1392 25 CE2 5.9684 1.9847 0.2283 C.ar 1 PHE1 -0.1402 26 CZ 5.9527 3.0482 1.1296 C.ar 1 PHE1 -0.1609 27 C 2.7695 -3.4107 1.1647 C.ar 0 UNK0 -0.0807 28 C 2.4753 -3.1821 -1.2266 C.ar 0 UNK0 -0.1125 29 C 3.3097 -4.6796 0.9793 C.ar 0 UNK0 -0.1705 30 C 3.0225 -4.4514 -1.4081 C.ar 0 UNK0 -0.1648 31 C 3.4479 -5.1957 -0.3081 C.ar 0 UNK0 -0.1167 32 HA -4.8327 0.0836 2.0119 H 1 PHE1 0.1950 33 HB1 -6.8948 1.2491 1.6077 H 1 PHE1 0.1559 34 HB2 -7.3273 -0.2342 0.7532 H 1 PHE1 0.1577 35 HG1 -7.2410 2.2802 -0.5006 H 1 PHE1 0.1443 36 HG2 -7.0227 0.7699 -1.3851 H 1 PHE1 0.1529 37 HD1 -4.9681 2.8448 -0.8140 H 1 PHE1 0.1364 38 HD2 -4.8232 1.3857 -1.8564 H 1 PHE1 0.1441 39 HA1 -2.2177 1.5538 -1.7201 H 1 PHE1 0.2002 40 HA2 -2.5053 2.9463 -0.6196 H 1 PHE1 0.1634 41 HA 1.6005 1.2365 0.7479 H 1 PHE1 0.1906 42 H -0.6114 1.9976 0.7881 H 1 PHE1 0.3216 43 HB1 2.6754 1.7308 -2.1304 H 1 PHE1 0.1665 44 HB2 1.8135 3.0027 -1.2844 H 1 PHE1 0.1646 45 H -5.0346 -3.1395 0.9294 H 1 PHE1 0.3598 46 H 2.3142 -0.5510 -1.5541 H 1 PHE1 0.3184 47 HD1 2.7467 4.0909 0.6974 H 1 PHE1 0.1504 48 HD2 4.8333 0.8417 -1.2030 H 1 PHE1 0.1546 49 HE1 4.7819 4.6294 2.0077 H 1 PHE1 0.1459 50 HE2 6.8727 1.3920 0.1013 H 1 PHE1 0.1484 51 HZ 6.8435 3.2839 1.7070 H 1 PHE1 0.1480 52 H 2.6536 -2.9971 2.1711 H 0 UNK0 0.1767 53 H 2.1267 -2.6211 -2.0933 H 0 UNK0 0.1537 54 H 3.6220 -5.2656 1.8418 H 0 UNK0 0.1532 55 H 3.1153 -4.8642 -2.4107 H 0 UNK0 0.1518 56 H 3.8831 -6.1827 -0.4531 H 0 UNK0 0.1462 @BOND 1 1 14 1 2 1 45 1 3 2 13 2 4 3 14 2 5 4 17 2 6 5 20 2 7 6 9 1 8 6 12 1 9 6 13 am 10 7 15 1 11 7 17 am 12 7 42 1 13 8 16 1 14 8 20 am 15 8 46 1 16 9 10 1 17 9 14 1 18 9 32 1 19 10 11 1 20 10 33 1 21 10 34 1 22 11 12 1 23 11 35 1 24 11 36 1 25 12 37 1 26 12 38 1 27 13 15 1 28 15 39 1 29 15 40 1 30 16 17 1 31 16 18 1 32 16 41 1 33 18 19 1 34 18 43 1 35 18 44 1 36 19 21 ar 37 19 22 ar 38 20 23 1 39 21 24 ar 40 21 47 1 41 22 25 ar 42 22 48 1 43 23 27 ar 44 23 28 ar 45 24 26 ar 46 24 49 1 47 25 26 ar 48 25 50 1 49 26 51 1 50 27 29 ar 51 27 52 1 52 28 30 ar 53 28 53 1 54 29 31 ar 55 29 54 1 56 30 31 ar 57 30 55 1 58 31 56 1