@MOLECULE glycyl-l-prolyl-n-2-naphthyl-l-leucinamide 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3521 1.0246 -0.6983 O.2 1 UNL1111111111 -0.5549 2 O 4.8705 -0.2498 0.3420 O.2 1 UNL1111111111 -0.5722 3 O -1.2289 -1.6893 1.7198 O.2 1 UNL1111111111 -0.5024 4 N 4.0385 1.8244 0.2375 N.am 1 UNL1111111111 -0.4982 5 N 1.5434 -0.5616 0.8909 N.am 1 UNL1111111111 -0.5794 6 N -1.5448 -0.2967 -0.0710 N.am 1 UNL1111111111 -0.5737 7 N 6.6647 -0.0029 -1.7081 N.3 1 UNL1111111111 -0.5882 8 C 2.9065 1.4957 1.1113 C.3 1 UNL1111111111 0.0267 9 C 2.2634 2.8548 1.4536 C.3 1 UNL1111111111 -0.2702 10 C 2.6210 3.7642 0.2631 C.3 1 UNL1111111111 -0.2731 11 C 3.9078 3.1686 -0.3491 C.3 1 UNL1111111111 -0.0564 12 C 1.8861 0.6465 0.3278 C.2 1 UNL1111111111 0.5504 13 C 0.6220 -1.4448 0.1748 C.3 1 UNL1111111111 0.0120 14 C 0.9344 -2.9307 0.4058 C.3 1 UNL1111111111 -0.3079 15 C 4.9180 0.8547 -0.1719 C.2 1 UNL1111111111 0.5336 16 C 2.0180 -3.4584 -0.5547 C.3 1 UNL1111111111 -0.0486 17 C 5.9577 1.1937 -1.2333 C.3 1 UNL1111111111 -0.1811 18 C -0.7998 -1.1569 0.7240 C.2 1 UNL1111111111 0.5578 19 C 3.4128 -3.0029 -0.1245 C.3 1 UNL1111111111 -0.4663 20 C 1.9601 -4.9909 -0.5942 C.3 1 UNL1111111111 -0.4550 21 C -2.9266 -0.0522 0.1198 C.ar 1 UNL1111111111 0.2258 22 C -3.7037 0.2079 -0.9928 C.ar 1 UNL1111111111 -0.2692 23 C -3.5084 -0.0823 1.4201 C.ar 1 UNL1111111111 -0.1886 24 C -5.0996 0.4150 -0.8500 C.ar 1 UNL1111111111 0.0382 25 C -5.6837 0.3772 0.4356 C.ar 1 UNL1111111111 -0.0456 26 C -4.8522 0.1332 1.5657 C.ar 1 UNL1111111111 -0.1216 27 C -5.9318 0.6419 -1.9828 C.ar 1 UNL1111111111 -0.1698 28 C -7.0848 0.5710 0.5710 C.ar 1 UNL1111111111 -0.1335 29 C -7.2830 0.8135 -1.8274 C.ar 1 UNL1111111111 -0.1327 30 C -7.8670 0.7804 -0.5359 C.ar 1 UNL1111111111 -0.1656 31 H 3.2802 0.9569 2.0183 H 1 UNL1111111111 0.1685 32 H 1.1714 2.7744 1.5902 H 1 UNL1111111111 0.1624 33 H 2.6744 3.2525 2.3976 H 1 UNL1111111111 0.1509 34 H 1.8024 3.7505 -0.4835 H 1 UNL1111111111 0.1650 35 H 2.7589 4.8098 0.5723 H 1 UNL1111111111 0.1437 36 H 4.8045 3.7712 -0.0847 H 1 UNL1111111111 0.1365 37 H 3.8390 3.1161 -1.4563 H 1 UNL1111111111 0.1393 38 H 0.6668 -1.2190 -0.9290 H 1 UNL1111111111 0.1753 39 H 2.0384 -0.9554 1.6783 H 1 UNL1111111111 0.3287 40 H 1.2244 -3.1132 1.4585 H 1 UNL1111111111 0.1618 41 H 0.0026 -3.5210 0.2723 H 1 UNL1111111111 0.1658 42 H 1.8140 -3.0684 -1.5832 H 1 UNL1111111111 0.1292 43 H 5.4822 1.6950 -2.1083 H 1 UNL1111111111 0.1668 44 H 6.7024 1.9128 -0.8191 H 1 UNL1111111111 0.1700 45 H 4.1910 -3.4188 -0.7720 H 1 UNL1111111111 0.1418 46 H 3.5157 -1.9115 -0.1759 H 1 UNL1111111111 0.1641 47 H 3.6481 -3.3019 0.9010 H 1 UNL1111111111 0.1470 48 H 0.9863 -5.3519 -0.9422 H 1 UNL1111111111 0.1419 49 H 2.7181 -5.3946 -1.2750 H 1 UNL1111111111 0.1437 50 H 2.1450 -5.4240 0.3933 H 1 UNL1111111111 0.1460 51 H -1.0783 0.1997 -0.8320 H 1 UNL1111111111 0.3351 52 H 6.0216 -0.6687 -2.1172 H 1 UNL1111111111 0.2545 53 H 7.1422 -0.4711 -0.9481 H 1 UNL1111111111 0.2592 54 H -3.2700 0.2370 -1.9883 H 1 UNL1111111111 0.1650 55 H -2.8746 -0.2824 2.2867 H 1 UNL1111111111 0.1901 56 H -5.3119 0.1157 2.5545 H 1 UNL1111111111 0.1559 57 H -5.4756 0.6694 -2.9694 H 1 UNL1111111111 0.1531 58 H -7.5233 0.5461 1.5672 H 1 UNL1111111111 0.1511 59 H -7.9264 0.9766 -2.6899 H 1 UNL1111111111 0.1480 60 H -8.9411 0.9231 -0.4412 H 1 UNL1111111111 0.1491 @BOND 1 1 12 2 2 2 15 2 3 3 18 2 4 4 8 1 5 4 11 1 6 4 15 am 7 5 12 am 8 5 13 1 9 5 39 1 10 6 18 am 11 6 21 1 12 6 51 1 13 7 17 1 14 7 52 1 15 7 53 1 16 8 9 1 17 8 12 1 18 8 31 1 19 9 10 1 20 9 32 1 21 9 33 1 22 10 11 1 23 10 34 1 24 10 35 1 25 11 36 1 26 11 37 1 27 13 14 1 28 13 18 1 29 13 38 1 30 14 16 1 31 14 40 1 32 14 41 1 33 15 17 1 34 16 19 1 35 16 20 1 36 16 42 1 37 17 43 1 38 17 44 1 39 19 45 1 40 19 46 1 41 19 47 1 42 20 48 1 43 20 49 1 44 20 50 1 45 21 22 ar 46 21 23 ar 47 22 24 ar 48 22 54 1 49 23 26 ar 50 23 55 1 51 24 25 ar 52 24 27 ar 53 25 26 ar 54 25 28 ar 55 26 56 1 56 27 29 ar 57 27 57 1 58 28 30 ar 59 28 58 1 60 29 30 ar 61 29 59 1 62 30 60 1