@MOLECULE 5-oxo-l-prolyl-l-phenylalanylglycine 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6876 -0.8906 -1.2960 O.2 1 UNL1111111111 -0.5016 2 O 4.1391 -3.4421 -1.1267 O.2 1 UNL1111111111 -0.4964 3 O 0.7227 1.5652 1.8039 O.2 1 UNL1111111111 -0.5254 4 O 2.3914 2.5436 -1.1942 O.3 1 UNL1111111111 -0.5481 5 OXT 3.3784 4.4317 -0.5100 O.2 1 UNL1111111111 -0.4896 6 N 1.8881 -3.2800 -0.7104 N.am 1 UNL1111111111 -0.5898 7 N -0.4037 -0.7011 0.6755 N.am 1 UNL1111111111 -0.5955 8 N 0.1528 2.8341 0.0058 N.am 1 UNL1111111111 -0.5565 9 CA 1.0161 -2.6823 0.3017 C.3 1 UNL1111111111 0.0045 10 C 1.9319 -2.4796 1.5429 C.3 1 UNL1111111111 -0.2807 11 C 3.3632 -2.4925 0.9822 C.3 1 UNL1111111111 -0.3570 12 CA -0.9237 0.6163 0.3197 C.3 1 UNL1111111111 0.0264 13 C 0.4593 -1.3418 -0.1970 C.2 1 ACE1111111111 0.5323 14 C 3.2392 -3.1067 -0.3997 C.2 1 UNL1111111111 0.5983 15 CB -2.2384 0.8842 1.0810 C.3 1 UNL1111111111 -0.3126 16 C 0.0980 1.6769 0.7715 C.2 1 UNL1111111111 0.5458 17 CG -3.3703 0.1954 0.3858 C.ar 1 UNL1111111111 0.0117 18 CD1 -4.0813 0.8851 -0.5980 C.ar 1 UNL1111111111 -0.1737 19 CD2 -3.7065 -1.1227 0.6990 C.ar 1 UNL1111111111 -0.1589 20 CA 1.1653 3.8333 0.3368 C.3 1 UNL1111111111 -0.1454 21 CE1 -5.1386 0.2627 -1.2552 C.ar 1 UNL1111111111 -0.1336 22 CE2 -4.7654 -1.7425 0.0384 C.ar 1 UNL1111111111 -0.1390 23 CZ -5.4844 -1.0489 -0.9336 C.ar 1 UNL1111111111 -0.1578 24 C 2.4421 3.6804 -0.4657 C.2 1 UNL1111111111 0.6045 25 HA 0.1555 -3.3671 0.5150 H 1 UNL1111111111 0.1657 26 H 1.7219 -1.5439 2.0838 H 1 UNL1111111111 0.1594 27 H 1.7827 -3.3035 2.2628 H 1 UNL1111111111 0.1561 28 H 3.7818 -1.4684 0.8942 H 1 UNL1111111111 0.1814 29 H 4.0718 -3.0587 1.6117 H 1 UNL1111111111 0.1777 30 HA -1.0927 0.6551 -0.7943 H 1 UNL1111111111 0.1901 31 H 1.5581 -3.4028 -1.6537 H 1 UNL1111111111 0.3321 32 H -0.4771 -0.9646 1.6473 H 1 UNL1111111111 0.3176 33 HB1 -2.1516 0.5524 2.1371 H 1 UNL1111111111 0.1660 34 HB2 -2.4227 1.9786 1.1479 H 1 UNL1111111111 0.1693 35 H -0.1474 2.8164 -0.9614 H 1 UNL1111111111 0.3184 36 HD1 -3.8113 1.9082 -0.8510 H 1 UNL1111111111 0.1516 37 HD2 -3.1418 -1.6682 1.4515 H 1 UNL1111111111 0.1501 38 HA1 0.7438 4.8552 0.1671 H 1 UNL1111111111 0.1790 39 HA2 1.4240 3.7666 1.4298 H 1 UNL1111111111 0.2073 40 HE1 -5.6944 0.8009 -2.0210 H 1 UNL1111111111 0.1499 41 HE2 -5.0321 -2.7699 0.2802 H 1 UNL1111111111 0.1492 42 HZ -6.3146 -1.5320 -1.4445 H 1 UNL1111111111 0.1520 43 H 3.2050 2.3498 -1.7219 H 1 UNL1111111111 0.3651 @BOND 1 1 13 2 2 2 14 2 3 3 16 2 4 4 24 1 5 4 43 1 6 5 24 2 7 6 9 1 8 6 14 am 9 6 31 1 10 7 12 1 11 7 13 am 12 7 32 1 13 8 16 am 14 8 20 1 15 8 35 1 16 9 10 1 17 9 13 1 18 9 25 1 19 10 11 1 20 10 26 1 21 10 27 1 22 11 14 1 23 11 28 1 24 11 29 1 25 12 15 1 26 12 16 1 27 12 30 1 28 15 17 1 29 15 33 1 30 15 34 1 31 17 18 ar 32 17 19 ar 33 18 21 ar 34 18 36 1 35 19 22 ar 36 19 37 1 37 20 24 1 38 20 38 1 39 20 39 1 40 21 23 ar 41 21 40 1 42 22 23 ar 43 22 41 1 44 23 42 1