@MOLECULE methyl n-[(benzyloxy)carbonyl]-l-phenylalanyl-l-phenylalaninate 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0567 -0.3858 -2.2230 O.2 1 UNL1111111111 -0.5370 2 O 4.6764 1.3406 -2.0057 O.3 1 UNL1111111111 -0.4027 3 O -3.6891 -0.2129 -0.0497 O.3 1 UNL1111111111 -0.4101 4 O 4.3577 -0.1476 -0.3515 O.2 1 UNL1111111111 -0.4894 5 O -1.8680 0.4869 1.1427 O.2 1 UNL1111111111 -0.5665 6 N 1.6496 -0.0792 -0.6459 N.am 1 UNL1111111111 -0.5867 7 N -1.7504 -1.3020 -0.3086 N.am 1 UNL1111111111 -0.5724 8 C -0.3133 -1.4672 -0.0903 C.3 1 UNL1111111111 0.0316 9 C 2.4308 0.8085 -1.5053 C.3 1 UNL1111111111 0.0352 10 C 0.0655 -2.9394 -0.3411 C.3 1 UNL1111111111 -0.3128 11 C 2.0559 2.2901 -1.2896 C.3 1 UNL1111111111 -0.3105 12 C 0.4600 -0.5943 -1.0975 C.2 1 UNL1111111111 0.5482 13 C 1.3990 -3.2657 0.2573 C.ar 1 UNL1111111111 -0.0086 14 C 2.2467 2.7365 0.1262 C.ar 1 UNL1111111111 0.0005 15 C 3.9026 0.5877 -1.1865 C.2 1 UNL1111111111 0.5604 16 C 1.4771 -3.7093 1.5788 C.ar 1 UNL1111111111 -0.1677 17 C 2.5577 -3.1696 -0.5152 C.ar 1 UNL1111111111 -0.1600 18 C 3.4587 3.3094 0.5179 C.ar 1 UNL1111111111 -0.1772 19 C 1.2087 2.6004 1.0504 C.ar 1 UNL1111111111 -0.1587 20 C -2.3781 -0.2487 0.3247 C.2 1 UNL1111111111 0.7166 21 C 2.7084 -4.0716 2.1193 C.ar 1 UNL1111111111 -0.1399 22 C 3.7905 -3.5153 0.0333 C.ar 1 UNL1111111111 -0.1221 23 C 3.6200 3.7728 1.8211 C.ar 1 UNL1111111111 -0.1421 24 C 1.3736 3.0664 2.3528 C.ar 1 UNL1111111111 -0.1339 25 C 3.8654 -3.9718 1.3482 C.ar 1 UNL1111111111 -0.1499 26 C 2.5730 3.6646 2.7357 C.ar 1 UNL1111111111 -0.1584 27 C -4.4724 0.7737 0.6490 C.3 1 UNL1111111111 -0.0192 28 C -5.8734 0.5357 0.1737 C.ar 1 UNL1111111111 -0.0431 29 C 6.0811 1.2155 -1.7935 C.3 1 UNL1111111111 -0.1683 30 C -6.3189 1.1536 -0.9957 C.ar 1 UNL1111111111 -0.1297 31 C -6.7376 -0.2836 0.9024 C.ar 1 UNL1111111111 -0.1339 32 C -7.6404 0.9970 -1.4077 C.ar 1 UNL1111111111 -0.1544 33 C -8.0587 -0.4428 0.4876 C.ar 1 UNL1111111111 -0.1548 34 C -8.5131 0.2098 -0.6580 C.ar 1 UNL1111111111 -0.1375 35 H -0.0745 -1.1679 0.9722 H 1 UNL1111111111 0.1889 36 H 2.2433 0.5412 -2.5892 H 1 UNL1111111111 0.1972 37 H 0.0580 -3.1526 -1.4319 H 1 UNL1111111111 0.1685 38 H -0.7217 -3.6030 0.0818 H 1 UNL1111111111 0.1726 39 H 2.6483 2.9189 -1.9871 H 1 UNL1111111111 0.1678 40 H 0.9948 2.4299 -1.5992 H 1 UNL1111111111 0.1780 41 H 2.0173 -0.2642 0.2807 H 1 UNL1111111111 0.3398 42 H -2.1522 -1.7149 -1.1412 H 1 UNL1111111111 0.3320 43 H 0.5742 -3.7813 2.1858 H 1 UNL1111111111 0.1531 44 H 2.5022 -2.8237 -1.5471 H 1 UNL1111111111 0.1557 45 H 4.2760 3.3949 -0.1951 H 1 UNL1111111111 0.1514 46 H 0.2662 2.1318 0.7582 H 1 UNL1111111111 0.1718 47 H 2.7689 -4.4333 3.1436 H 1 UNL1111111111 0.1463 48 H 4.6968 -3.4211 -0.5624 H 1 UNL1111111111 0.1507 49 H 4.5629 4.2226 2.1239 H 1 UNL1111111111 0.1454 50 H 0.5593 2.9643 3.0690 H 1 UNL1111111111 0.1526 51 H 4.8274 -4.2472 1.7735 H 1 UNL1111111111 0.1471 52 H 2.6923 4.0487 3.7463 H 1 UNL1111111111 0.1475 53 H -4.3488 0.6280 1.7392 H 1 UNL1111111111 0.1474 54 H -4.0825 1.7761 0.3824 H 1 UNL1111111111 0.1490 55 H 6.5069 1.9150 -2.5189 H 1 UNL1111111111 0.1459 56 H 6.3990 0.1862 -1.9913 H 1 UNL1111111111 0.1411 57 H 6.3356 1.4986 -0.7633 H 1 UNL1111111111 0.1434 58 H -5.6338 1.7618 -1.5854 H 1 UNL1111111111 0.1574 59 H -6.3810 -0.7970 1.7938 H 1 UNL1111111111 0.1539 60 H -7.9891 1.4900 -2.3137 H 1 UNL1111111111 0.1511 61 H -8.7369 -1.0721 1.0608 H 1 UNL1111111111 0.1501 62 H -9.5487 0.0996 -0.9721 H 1 UNL1111111111 0.1489 @BOND 1 1 12 2 2 2 15 1 3 2 29 1 4 3 20 1 5 3 27 1 6 4 15 2 7 5 20 2 8 6 9 1 9 6 12 am 10 6 41 1 11 7 8 1 12 7 20 am 13 7 42 1 14 8 10 1 15 8 12 1 16 8 35 1 17 9 11 1 18 9 15 1 19 9 36 1 20 10 13 1 21 10 37 1 22 10 38 1 23 11 14 1 24 11 39 1 25 11 40 1 26 13 16 ar 27 13 17 ar 28 14 18 ar 29 14 19 ar 30 16 21 ar 31 16 43 1 32 17 22 ar 33 17 44 1 34 18 23 ar 35 18 45 1 36 19 24 ar 37 19 46 1 38 21 25 ar 39 21 47 1 40 22 25 ar 41 22 48 1 42 23 26 ar 43 23 49 1 44 24 26 ar 45 24 50 1 46 25 51 1 47 26 52 1 48 27 28 1 49 27 53 1 50 27 54 1 51 28 30 ar 52 28 31 ar 53 29 55 1 54 29 56 1 55 29 57 1 56 30 32 ar 57 30 58 1 58 31 33 ar 59 31 59 1 60 32 34 ar 61 32 60 1 62 33 34 ar 63 33 61 1 64 34 62 1