@MOLECULE n-{[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}-l-leucyl-l-alanine 70 71 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.7825 -0.3182 0.5251 C.2 0 UNK0 0.7162 2 O 2.6554 0.0011 1.6867 O.2 0 UNK0 -0.5586 3 O 3.8072 -1.0981 0.0483 O.3 0 UNK0 -0.4338 4 C 4.8885 -1.2696 0.9776 C.3 0 UNK0 -0.0160 5 C 6.0054 -1.8215 0.1460 C.ar 0 UNK0 -0.0303 6 C 7.3056 -1.3470 0.3227 C.ar 0 UNK0 -0.1593 7 C 8.3415 -1.8632 -0.4522 C.ar 0 UNK0 -0.1474 8 C 8.0794 -2.8468 -1.4053 C.ar 0 UNK0 -0.1505 9 C 6.7793 -3.3170 -1.5825 C.ar 0 UNK0 -0.1495 10 C 5.7408 -2.8069 -0.8061 C.ar 0 UNK0 -0.1335 11 N 1.9825 0.0507 -0.5286 N.am 0 UNK0 -0.5551 12 C 0.8870 0.9935 -0.2833 C.3 0 UNK0 0.1878 13 P -0.7276 0.2077 -0.8909 P.3 0 UNK0 0.2212 14 O -0.6817 -0.9270 -1.8190 O.2 0 UNK0 -0.3271 15 O -1.3668 1.5470 -1.5296 O.3 0 UNK0 -0.4748 16 C 1.2354 2.3623 -0.9586 C.3 0 UNK0 -0.2855 17 C 2.2616 3.0530 -0.1107 C.ar 0 UNK0 0.0063 18 C 3.6111 3.0265 -0.4639 C.ar 0 UNK0 -0.1656 19 C 1.8594 3.7171 1.0513 C.ar 0 UNK0 -0.1655 20 C 4.5547 3.6548 0.3466 C.ar 0 UNK0 -0.1426 21 C 2.8046 4.3412 1.8601 C.ar 0 UNK0 -0.1377 22 C 4.1538 4.3108 1.5086 C.ar 0 UNK0 -0.1619 23 N -1.5862 -0.1153 0.5416 N.3 0 UNK0 -0.4280 24 C -2.8718 -0.8687 0.4511 C.3 0 UNK0 0.0221 25 C -4.0194 0.1192 0.1682 C.2 0 UNK0 0.5305 26 O -4.1453 1.1580 0.7824 O.2 0 UNK0 -0.5355 27 C -3.1316 -1.5048 1.8316 C.3 0 UNK0 -0.3096 28 C -4.3345 -2.4648 1.8005 C.3 0 UNK0 -0.0663 29 C -4.0149 -3.7384 1.0099 C.3 0 UNK0 -0.4527 30 C -4.7228 -2.8318 3.2381 C.3 0 UNK0 -0.4525 31 N -4.8680 -0.1981 -0.8774 N.am 1 ALA1 -0.6018 32 CA -6.0152 0.6569 -1.1651 C.3 1 ALA1 0.0460 33 C -7.2659 0.0078 -0.5770 C.2 1 ALA1 0.5981 34 O -7.4434 -1.1484 -0.3051 O.2 1 ALA1 -0.5032 35 CB -6.2130 0.8057 -2.6743 C.3 1 ALA1 -0.4617 36 OXT -8.2283 0.9409 -0.3911 O.3 1 ALA1 -0.5523 37 H 5.1296 -0.2957 1.4461 H 0 UNK0 0.1492 38 H 4.5538 -1.9736 1.7643 H 0 UNK0 0.1509 39 H 7.5128 -0.5728 1.0588 H 0 UNK0 0.1532 40 H 9.3564 -1.4964 -0.3158 H 0 UNK0 0.1480 41 H 8.8901 -3.2467 -2.0106 H 0 UNK0 0.1484 42 H 6.5745 -4.0836 -2.3272 H 0 UNK0 0.1497 43 H 4.7218 -3.1693 -0.9442 H 0 UNK0 0.1650 44 H 2.1649 -0.3023 -1.4617 H 0 UNK0 0.3376 45 H 0.7893 1.1654 0.8493 H 0 UNK0 0.2038 46 H -2.2580 1.3515 -1.9593 H 0 UNK0 0.3246 47 H 1.6030 2.2174 -1.9969 H 0 UNK0 0.1648 48 H 0.3403 3.0199 -1.0699 H 0 UNK0 0.1852 49 H 3.9311 2.5086 -1.3654 H 0 UNK0 0.1536 50 H 0.8072 3.7410 1.3281 H 0 UNK0 0.1539 51 H 5.6075 3.6283 0.0738 H 0 UNK0 0.1468 52 H 2.4924 4.8493 2.7704 H 0 UNK0 0.1461 53 H 4.8915 4.7957 2.1428 H 0 UNK0 0.1463 54 H -1.7216 0.7228 1.1689 H 0 UNK0 0.3016 55 H -2.8238 -1.6876 -0.3204 H 0 UNK0 0.1767 56 H -2.2196 -2.0464 2.1574 H 0 UNK0 0.1730 57 H -3.2940 -0.7138 2.5900 H 0 UNK0 0.1578 58 H -5.2069 -1.9541 1.3213 H 0 UNK0 0.1373 59 H -4.8918 -4.3950 0.9554 H 0 UNK0 0.1462 60 H -3.7091 -3.5201 -0.0184 H 0 UNK0 0.1389 61 H -3.2055 -4.3103 1.4780 H 0 UNK0 0.1490 62 H -5.0328 -1.9495 3.8085 H 0 UNK0 0.1444 63 H -5.5611 -3.5374 3.2514 H 0 UNK0 0.1465 64 H -3.8910 -3.2992 3.7746 H 0 UNK0 0.1452 65 H -4.8564 -1.1092 -1.3153 H 1 ALA1 0.3241 66 HA -5.8622 1.6714 -0.6849 H 1 ALA1 0.2071 67 HB1 -5.3300 1.2613 -3.1433 H 1 ALA1 0.1682 68 HB2 -6.3874 -0.1561 -3.1720 H 1 ALA1 0.1602 69 HB3 -7.0709 1.4565 -2.8951 H 1 ALA1 0.1690 70 HXT -9.0673 0.5790 -0.0091 H 1 ALA1 0.3578 @BOND 1 1 2 2 2 1 3 1 3 1 11 am 4 3 4 1 5 4 5 1 6 4 37 1 7 4 38 1 8 5 6 ar 9 5 10 ar 10 6 7 ar 11 6 39 1 12 7 8 ar 13 7 40 1 14 8 9 ar 15 8 41 1 16 9 10 ar 17 9 42 1 18 10 43 1 19 11 12 1 20 11 44 1 21 12 13 1 22 12 16 1 23 12 45 1 24 13 14 2 25 13 15 1 26 13 23 1 27 15 46 1 28 16 17 1 29 16 47 1 30 16 48 1 31 17 18 ar 32 17 19 ar 33 18 20 ar 34 18 49 1 35 19 21 ar 36 19 50 1 37 20 22 ar 38 20 51 1 39 21 22 ar 40 21 52 1 41 22 53 1 42 23 24 1 43 23 54 1 44 24 25 1 45 24 27 1 46 24 55 1 47 25 26 2 48 25 31 am 49 27 28 1 50 27 56 1 51 27 57 1 52 28 29 1 53 28 30 1 54 28 58 1 55 29 59 1 56 29 60 1 57 29 61 1 58 30 62 1 59 30 63 1 60 30 64 1 61 31 32 1 62 31 65 1 63 32 33 1 64 32 35 1 65 32 66 1 66 33 34 2 67 33 36 1 68 35 67 1 69 35 68 1 70 35 69 1 71 36 70 1