@MOLECULE n-(3-methylbutanoyl)-l-valyl-n~1~-[(1r)-1-(hydroxy{[(2s)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl)-3-methylbutyl]-l-aspartamide 90 90 0 0 0 SMALL GASTEIGER @ATOM 1 N 6.0514 0.4156 -0.2526 N.am 1 UNL1111111111 -0.6232 2 C 8.0991 -0.7635 -0.8888 C.3 1 UNL1111111111 -0.3766 3 C 4.8071 0.5601 0.5016 C.3 1 UNL1111111111 0.0012 4 C 9.1122 -1.7838 -0.3320 C.3 1 UNL1111111111 -0.0324 5 C 4.9405 1.6193 1.6294 C.3 1 UNL1111111111 -0.0790 6 C 10.1168 -2.1589 -1.4272 C.3 1 UNL1111111111 -0.4622 7 C 5.0354 3.0422 1.0802 C.3 1 UNL1111111111 -0.4558 8 C 9.8395 -1.2149 0.8897 C.3 1 UNL1111111111 -0.4587 9 C 3.7597 1.4919 2.5939 C.3 1 UNL1111111111 -0.4650 10 C 6.9074 -0.6374 0.0302 C.2 1 UNL1111111111 0.5987 11 C 3.7229 0.9602 -0.5095 C.2 1 UNL1111111111 0.5705 12 O 6.6623 -1.3884 0.9512 O.2 1 UNL1111111111 -0.5332 13 O 3.9418 1.6804 -1.4656 O.2 1 UNL1111111111 -0.5687 14 N 2.4583 0.4697 -0.2637 N.am 1 UNL1111111111 -0.5739 15 C 1.4060 0.6516 -1.2568 C.3 1 UNL1111111111 0.0275 16 C 1.3234 -0.5484 -2.2234 C.3 1 UNL1111111111 -0.4048 17 C 1.1827 -1.8553 -1.4643 C.2 1 UNL1111111111 0.5969 18 O 2.0919 -2.3246 -0.8062 O.2 1 UNL1111111111 -0.5525 19 N -0.0048 -2.5351 -1.5990 N.am 1 UNL1111111111 -0.6586 20 C 0.0681 0.7889 -0.5046 C.2 1 UNL1111111111 0.5468 21 O -0.0768 0.4700 0.6543 O.2 1 UNL1111111111 -0.5062 22 N -0.9725 1.3139 -1.2497 N.am 1 UNL1111111111 -0.5753 23 C -2.3166 1.3929 -0.6680 C.3 1 UNL1111111111 0.1807 24 C -2.9206 2.8040 -0.8966 C.3 1 UNL1111111111 -0.2846 25 C -2.2083 3.8312 0.0098 C.3 1 UNL1111111111 -0.0557 26 C -2.5704 5.2480 -0.4484 C.3 1 UNL1111111111 -0.4624 27 C -2.6054 3.6391 1.4779 C.3 1 UNL1111111111 -0.4590 28 P -3.3403 -0.0466 -1.3315 P.3 1 UNL1111111111 0.2313 29 O -2.7310 -1.3549 -1.5872 O.2 1 UNL1111111111 -0.3594 30 O -4.1548 0.5523 -2.5623 O.3 1 UNL1111111111 -0.3906 31 O -4.4321 -0.0339 -0.1333 O.3 1 UNL1111111111 -0.3384 32 C -5.2495 -1.1602 0.1522 C.3 1 UNL1111111111 0.0964 33 C -5.6235 -0.8982 1.6240 C.3 1 UNL1111111111 -0.3030 34 C -8.6661 -1.8733 -1.0594 C.3 1 UNL1111111111 -0.1695 35 C -4.3566 -1.0228 2.4179 C.ar 1 UNL1111111111 0.0213 36 C -3.5398 0.0950 2.6006 C.ar 1 UNL1111111111 -0.1594 37 C -3.9481 -2.2692 2.8947 C.ar 1 UNL1111111111 -0.1769 38 C -2.2939 -0.0455 3.2067 C.ar 1 UNL1111111111 -0.1286 39 C -1.8763 -1.2940 3.6654 C.ar 1 UNL1111111111 -0.1484 40 C -2.7102 -2.4012 3.5207 C.ar 1 UNL1111111111 -0.1395 41 C -6.4428 -1.1360 -0.7990 C.2 1 UNL1111111111 0.5671 42 O -7.5076 -1.7474 -0.2370 O.3 1 UNL1111111111 -0.4010 43 O -6.4701 -0.6957 -1.9239 O.2 1 UNL1111111111 -0.5296 44 H 6.1999 1.0699 -1.0058 H 1 UNL1111111111 0.3274 45 H 7.7467 -1.0931 -1.8892 H 1 UNL1111111111 0.1699 46 H 8.5934 0.2138 -1.0437 H 1 UNL1111111111 0.1620 47 H 4.5570 -0.4365 0.9759 H 1 UNL1111111111 0.1936 48 H 8.5545 -2.7033 -0.0167 H 1 UNL1111111111 0.1558 49 H 5.8891 1.3869 2.1807 H 1 UNL1111111111 0.1546 50 H 10.8491 -2.8856 -1.0571 H 1 UNL1111111111 0.1458 51 H 9.6179 -2.6104 -2.2913 H 1 UNL1111111111 0.1427 52 H 10.6762 -1.2865 -1.7794 H 1 UNL1111111111 0.1422 53 H 5.1909 3.7663 1.8867 H 1 UNL1111111111 0.1423 54 H 5.8688 3.1457 0.3760 H 1 UNL1111111111 0.1482 55 H 4.1261 3.3389 0.5424 H 1 UNL1111111111 0.1551 56 H 10.4083 -0.3130 0.6482 H 1 UNL1111111111 0.1379 57 H 9.1238 -0.9631 1.6846 H 1 UNL1111111111 0.1609 58 H 10.5403 -1.9444 1.3091 H 1 UNL1111111111 0.1426 59 H 2.8064 1.7386 2.1094 H 1 UNL1111111111 0.1581 60 H 3.6719 0.4757 2.9979 H 1 UNL1111111111 0.1529 61 H 3.8729 2.1731 3.4446 H 1 UNL1111111111 0.1476 62 H 2.2924 -0.2635 0.4239 H 1 UNL1111111111 0.3453 63 H 1.6222 1.5903 -1.8445 H 1 UNL1111111111 0.1848 64 H 0.5190 -0.4037 -2.9668 H 1 UNL1111111111 0.1699 65 H 2.2684 -0.5992 -2.8132 H 1 UNL1111111111 0.1950 66 H -0.1581 -3.3643 -1.0562 H 1 UNL1111111111 0.3079 67 H -0.8307 -2.0954 -1.9598 H 1 UNL1111111111 0.3261 68 H -0.8480 1.6017 -2.2104 H 1 UNL1111111111 0.3164 69 H -2.2411 1.1974 0.4703 H 1 UNL1111111111 0.2186 70 H -2.8312 3.1154 -1.9575 H 1 UNL1111111111 0.1538 71 H -4.0115 2.8282 -0.6832 H 1 UNL1111111111 0.1677 72 H -1.1027 3.6976 -0.0837 H 1 UNL1111111111 0.1411 73 H -2.0793 6.0036 0.1738 H 1 UNL1111111111 0.1432 74 H -2.2610 5.4305 -1.4820 H 1 UNL1111111111 0.1414 75 H -3.6481 5.4286 -0.3873 H 1 UNL1111111111 0.1451 76 H -3.6920 3.5940 1.6032 H 1 UNL1111111111 0.1444 77 H -2.1785 2.7164 1.8901 H 1 UNL1111111111 0.1505 78 H -2.2392 4.4638 2.0992 H 1 UNL1111111111 0.1443 79 H -5.0677 0.0642 -2.6133 H 1 UNL1111111111 0.3672 80 H -4.7410 -2.1599 0.0540 H 1 UNL1111111111 0.1773 81 H -6.0715 0.1105 1.7357 H 1 UNL1111111111 0.1671 82 H -6.4029 -1.6115 1.9566 H 1 UNL1111111111 0.1683 83 H -9.3847 -2.3703 -0.3982 H 1 UNL1111111111 0.1476 84 H -9.0243 -0.8831 -1.3609 H 1 UNL1111111111 0.1419 85 H -8.4381 -2.4852 -1.9395 H 1 UNL1111111111 0.1436 86 H -3.8692 1.0690 2.2443 H 1 UNL1111111111 0.1515 87 H -4.5855 -3.1400 2.7678 H 1 UNL1111111111 0.1463 88 H -1.6343 0.8149 3.3088 H 1 UNL1111111111 0.1507 89 H -0.8963 -1.4040 4.1254 H 1 UNL1111111111 0.1519 90 H -2.3885 -3.3739 3.8864 H 1 UNL1111111111 0.1453 @BOND 1 1 3 1 2 1 10 am 3 1 44 1 4 2 4 1 5 2 10 1 6 2 45 1 7 2 46 1 8 3 5 1 9 3 11 1 10 3 47 1 11 4 6 1 12 4 8 1 13 4 48 1 14 5 7 1 15 5 9 1 16 5 49 1 17 6 50 1 18 6 51 1 19 6 52 1 20 7 53 1 21 7 54 1 22 7 55 1 23 8 56 1 24 8 57 1 25 8 58 1 26 9 59 1 27 9 60 1 28 9 61 1 29 10 12 2 30 11 13 2 31 11 14 am 32 14 15 1 33 14 62 1 34 15 16 1 35 15 20 1 36 15 63 1 37 16 17 1 38 16 64 1 39 16 65 1 40 17 18 2 41 17 19 am 42 19 66 1 43 19 67 1 44 20 21 2 45 20 22 am 46 22 23 1 47 22 68 1 48 23 24 1 49 23 28 1 50 23 69 1 51 24 25 1 52 24 70 1 53 24 71 1 54 25 26 1 55 25 27 1 56 25 72 1 57 26 73 1 58 26 74 1 59 26 75 1 60 27 76 1 61 27 77 1 62 27 78 1 63 28 29 2 64 28 30 1 65 28 31 1 66 30 79 1 67 31 32 1 68 32 33 1 69 32 41 1 70 32 80 1 71 33 35 1 72 33 81 1 73 33 82 1 74 34 42 1 75 34 83 1 76 34 84 1 77 34 85 1 78 35 36 ar 79 35 37 ar 80 36 38 ar 81 36 86 1 82 37 40 ar 83 37 87 1 84 38 39 ar 85 38 88 1 86 39 40 ar 87 39 89 1 88 40 90 1 89 41 42 1 90 41 43 2