@MOLECULE methyl (6s,9r,12s)-10-hydroxy-9-isobutyl-6-{[n-(3-methylbutanoyl)-l-valyl]amino}-4,7-dioxo-11-oxa-3,8-diaza-10-phosphabicyclo[12.3.1]octadeca-1(18),14,16-triene-12-carboxylate 10-oxide 91 92 0 0 0 SMALL GASTEIGER @ATOM 1 N -5.2796 0.3608 0.4414 N.am 1 UNL1111111111 -0.6123 2 C -7.0629 -0.4727 1.9038 C.3 1 UNL1111111111 -0.3749 3 C -4.3901 0.2572 -0.7093 C.3 1 UNL1111111111 -0.0095 4 C -8.5116 -0.9601 1.7000 C.3 1 UNL1111111111 -0.0341 5 C -4.2453 1.6266 -1.4300 C.3 1 UNL1111111111 -0.0804 6 C -9.1922 -1.1300 3.0615 C.3 1 UNL1111111111 -0.4593 7 C -3.6016 2.6945 -0.5464 C.3 1 UNL1111111111 -0.4569 8 C -9.2905 0.0314 0.8309 C.3 1 UNL1111111111 -0.4593 9 C -3.4495 1.4433 -2.7247 C.3 1 UNL1111111111 -0.4701 10 C -6.2922 -0.5762 0.6128 C.2 1 UNL1111111111 0.5989 11 C -3.0273 -0.2246 -0.1897 C.2 1 UNL1111111111 0.5647 12 O -6.5069 -1.3961 -0.2560 O.2 1 UNL1111111111 -0.5399 13 O -2.5458 0.1743 0.8547 O.2 1 UNL1111111111 -0.5632 14 N -2.3587 -1.1425 -0.9689 N.am 1 UNL1111111111 -0.6027 15 C -1.0644 -1.6831 -0.5368 C.3 1 UNL1111111111 0.0319 16 C -0.8512 -3.0568 -1.1801 C.3 1 UNL1111111111 -0.3923 17 C 0.2377 -3.8295 -0.4560 C.2 1 UNL1111111111 0.5808 18 O -0.0138 -4.6615 0.3936 O.2 1 UNL1111111111 -0.5431 19 N 1.5238 -3.5748 -0.8614 N.am 1 UNL1111111111 -0.5859 20 C 2.6270 -4.2878 -0.2081 C.3 1 UNL1111111111 -0.0838 21 C 0.0413 -0.6969 -0.9942 C.2 1 UNL1111111111 0.5444 22 O 0.8170 -0.9636 -1.8960 O.2 1 UNL1111111111 -0.5860 23 N 0.0511 0.5053 -0.3456 N.am 1 UNL1111111111 -0.5338 24 C 0.9381 1.5804 -0.8024 C.3 1 UNL1111111111 0.1772 25 C 0.0584 2.7490 -1.3526 C.3 1 UNL1111111111 -0.2966 26 C 0.7392 3.5236 -2.4986 C.3 1 UNL1111111111 -0.0511 27 C 0.9265 2.6324 -3.7306 C.3 1 UNL1111111111 -0.4607 28 C -0.1359 4.7329 -2.8590 C.3 1 UNL1111111111 -0.4566 29 P 2.1288 2.0807 0.5639 P.3 1 UNL1111111111 0.2412 30 O 1.2848 1.7797 1.8873 O.3 1 UNL1111111111 -0.3739 31 O 2.8031 3.3778 0.5397 O.2 1 UNL1111111111 -0.3295 32 O 3.0884 0.8031 0.3751 O.3 1 UNL1111111111 -0.3342 33 C 4.2845 0.5403 1.1023 C.3 1 UNL1111111111 0.0914 34 C 5.2421 0.0185 0.0167 C.3 1 UNL1111111111 -0.3221 35 C 4.5040 3.2153 3.6205 C.3 1 UNL1111111111 -0.1663 36 C 5.1883 -1.4712 -0.1027 C.ar 1 UNL1111111111 0.0292 37 C 6.3758 -2.1975 -0.2085 C.ar 1 UNL1111111111 -0.1879 38 C 3.9606 -2.1378 -0.1237 C.ar 1 UNL1111111111 -0.1808 39 C 6.3337 -3.5842 -0.3365 C.ar 1 UNL1111111111 -0.1274 40 C 5.1118 -4.2497 -0.3539 C.ar 1 UNL1111111111 -0.1895 41 C 3.9216 -3.5251 -0.2435 C.ar 1 UNL1111111111 -0.0191 42 C 4.9099 1.7287 1.8326 C.2 1 UNL1111111111 0.5713 43 O 4.1506 2.0247 2.9222 O.3 1 UNL1111111111 -0.4261 44 O 5.9377 2.2950 1.5813 O.2 1 UNL1111111111 -0.4883 45 H -4.9754 0.9725 1.1857 H 1 UNL1111111111 0.3253 46 H -6.5566 -1.1016 2.6676 H 1 UNL1111111111 0.1757 47 H -7.0640 0.5566 2.3088 H 1 UNL1111111111 0.1626 48 H -4.8250 -0.4854 -1.4407 H 1 UNL1111111111 0.1880 49 H -8.4825 -1.9511 1.1768 H 1 UNL1111111111 0.1563 50 H -5.2827 1.9637 -1.6918 H 1 UNL1111111111 0.1544 51 H -10.2252 -1.4773 2.9425 H 1 UNL1111111111 0.1481 52 H -8.6723 -1.8671 3.6833 H 1 UNL1111111111 0.1452 53 H -9.2280 -0.1877 3.6179 H 1 UNL1111111111 0.1441 54 H -3.4347 3.6227 -1.1048 H 1 UNL1111111111 0.1483 55 H -4.2350 2.9472 0.3114 H 1 UNL1111111111 0.1472 56 H -2.6309 2.3753 -0.1441 H 1 UNL1111111111 0.1642 57 H -9.3396 1.0251 1.2857 H 1 UNL1111111111 0.1413 58 H -8.8258 0.1350 -0.1583 H 1 UNL1111111111 0.1543 59 H -10.3192 -0.3089 0.6682 H 1 UNL1111111111 0.1462 60 H -2.4288 1.0877 -2.5395 H 1 UNL1111111111 0.1539 61 H -3.9359 0.7358 -3.4057 H 1 UNL1111111111 0.1490 62 H -3.3610 2.3941 -3.2662 H 1 UNL1111111111 0.1557 63 H -2.7334 -1.4790 -1.8423 H 1 UNL1111111111 0.3227 64 H -1.0494 -1.7706 0.5895 H 1 UNL1111111111 0.1946 65 H -0.6103 -2.9586 -2.2605 H 1 UNL1111111111 0.1861 66 H -1.7857 -3.6611 -1.1221 H 1 UNL1111111111 0.1900 67 H 1.7428 -2.7941 -1.4722 H 1 UNL1111111111 0.3452 68 H 2.7341 -5.2862 -0.7018 H 1 UNL1111111111 0.1535 69 H 2.3540 -4.5087 0.8599 H 1 UNL1111111111 0.1774 70 H -0.6200 0.6945 0.4054 H 1 UNL1111111111 0.3513 71 H 1.5980 1.1769 -1.6613 H 1 UNL1111111111 0.2183 72 H -0.8869 2.3065 -1.7370 H 1 UNL1111111111 0.1510 73 H -0.2695 3.4597 -0.5670 H 1 UNL1111111111 0.1596 74 H 1.7386 3.9019 -2.1675 H 1 UNL1111111111 0.1553 75 H 1.3841 3.1900 -4.5550 H 1 UNL1111111111 0.1443 76 H 1.5806 1.7757 -3.5224 H 1 UNL1111111111 0.1533 77 H -0.0262 2.2330 -4.0919 H 1 UNL1111111111 0.1400 78 H -1.1372 4.4292 -3.1784 H 1 UNL1111111111 0.1368 79 H -0.2457 5.4122 -2.0062 H 1 UNL1111111111 0.1459 80 H 0.3085 5.3098 -3.6773 H 1 UNL1111111111 0.1441 81 H 1.8895 1.9699 2.6961 H 1 UNL1111111111 0.3359 82 H 4.0188 -0.2576 1.8476 H 1 UNL1111111111 0.1642 83 H 4.9714 0.4758 -0.9675 H 1 UNL1111111111 0.1928 84 H 6.2766 0.3794 0.2064 H 1 UNL1111111111 0.1797 85 H 3.7907 3.2404 4.4507 H 1 UNL1111111111 0.1390 86 H 5.5373 3.1533 3.9773 H 1 UNL1111111111 0.1395 87 H 4.3784 4.0820 2.9589 H 1 UNL1111111111 0.1505 88 H 7.3356 -1.6859 -0.1907 H 1 UNL1111111111 0.1536 89 H 3.0330 -1.5643 -0.0450 H 1 UNL1111111111 0.1835 90 H 7.2600 -4.1494 -0.4208 H 1 UNL1111111111 0.1462 91 H 5.0878 -5.3326 -0.4517 H 1 UNL1111111111 0.1525 @BOND 1 1 3 1 2 1 10 am 3 1 45 1 4 2 4 1 5 2 10 1 6 2 46 1 7 2 47 1 8 3 5 1 9 3 11 1 10 3 48 1 11 4 6 1 12 4 8 1 13 4 49 1 14 5 7 1 15 5 9 1 16 5 50 1 17 6 51 1 18 6 52 1 19 6 53 1 20 7 54 1 21 7 55 1 22 7 56 1 23 8 57 1 24 8 58 1 25 8 59 1 26 9 60 1 27 9 61 1 28 9 62 1 29 10 12 2 30 11 13 2 31 11 14 am 32 14 15 1 33 14 63 1 34 15 16 1 35 15 21 1 36 15 64 1 37 16 17 1 38 16 65 1 39 16 66 1 40 17 18 2 41 17 19 am 42 19 20 1 43 19 67 1 44 20 41 1 45 20 68 1 46 20 69 1 47 21 22 2 48 21 23 am 49 23 24 1 50 23 70 1 51 24 25 1 52 24 29 1 53 24 71 1 54 25 26 1 55 25 72 1 56 25 73 1 57 26 27 1 58 26 28 1 59 26 74 1 60 27 75 1 61 27 76 1 62 27 77 1 63 28 78 1 64 28 79 1 65 28 80 1 66 29 30 1 67 29 31 2 68 29 32 1 69 30 81 1 70 32 33 1 71 33 34 1 72 33 42 1 73 33 82 1 74 34 36 1 75 34 83 1 76 34 84 1 77 35 43 1 78 35 85 1 79 35 86 1 80 35 87 1 81 36 37 ar 82 36 38 ar 83 37 39 ar 84 37 88 1 85 38 41 ar 86 38 89 1 87 39 40 ar 88 39 90 1 89 40 41 ar 90 40 91 1 91 42 43 1 92 42 44 2