@MOLECULE n-[(2s,3r)-4-{[(8s,11s)-8-[(2s)-2-butanyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-(4-hydroxyphenyl)-2-butanyl]-n~2~-propionyl-l-valinamide 101 103 0 0 0 SMALL GASTEIGER @ATOM 1 C -9.9041 0.3006 1.7942 C.3 1 UNL1111111111 -0.4178 2 C -8.8159 -0.2549 0.8833 C.3 1 UNL1111111111 -0.3297 3 C -7.4893 -0.2713 1.6124 C.2 1 UNL1111111111 0.5955 4 O -7.1912 0.4906 2.5103 O.2 1 UNL1111111111 -0.5445 5 N -6.5972 -1.2393 1.1852 N.am 1 UNL1111111111 -0.6107 6 C -5.2383 -1.2827 1.7218 C.3 1 UNL1111111111 -0.0114 7 C -4.3033 -1.2191 0.5015 C.2 1 UNL1111111111 0.5596 8 O -4.5526 -1.8051 -0.5329 O.2 1 UNL1111111111 -0.5454 9 C -4.9959 -2.5736 2.5496 C.3 1 UNL1111111111 -0.0748 10 C -5.0790 -3.8388 1.6961 C.3 1 UNL1111111111 -0.4530 11 C -3.6344 -2.4856 3.2439 C.3 1 UNL1111111111 -0.4630 12 N -3.1698 -0.4489 0.6389 N.am 1 UNL1111111111 -0.6035 13 C -2.3646 -0.1242 -0.5442 C.3 1 UNL1111111111 0.0633 14 C -2.6013 1.3493 -0.9556 C.3 1 UNL1111111111 -0.3015 15 C -4.0054 1.5193 -1.4415 C.ar 1 UNL1111111111 -0.0585 16 C -4.9919 1.9976 -0.5777 C.ar 1 UNL1111111111 -0.0910 17 C -4.3371 1.1604 -2.7538 C.ar 1 UNL1111111111 -0.0985 18 C -6.3159 2.0925 -1.0010 C.ar 1 UNL1111111111 -0.3039 19 C -5.6479 1.2526 -3.2023 C.ar 1 UNL1111111111 -0.2320 20 C -6.6208 1.7083 -2.3060 C.ar 1 UNL1111111111 0.2772 21 C -0.8770 -0.3774 -0.1944 C.3 1 UNL1111111111 0.1204 22 C -0.0296 -0.5445 -1.4791 C.3 1 UNL1111111111 -0.1775 23 O -0.4475 0.7479 0.5400 O.3 1 UNL1111111111 -0.5720 24 O -7.8912 1.7422 -2.7954 O.3 1 UNL1111111111 -0.4780 25 N 1.3802 -0.6324 -1.0361 N.3 1 UNL1111111111 -0.5668 26 C 2.3350 -0.1869 -2.0776 C.3 1 UNL1111111111 -0.0281 27 C 2.4010 1.3562 -2.1436 C.3 1 UNL1111111111 -0.2789 28 C 3.2322 1.9444 -1.0491 C.ar 1 UNL1111111111 -0.0632 29 C 4.6077 2.1035 -1.2473 C.ar 1 UNL1111111111 -0.1092 30 C 5.4172 2.5542 -0.2137 C.ar 1 UNL1111111111 -0.2261 31 C 2.6538 2.3013 0.1695 C.ar 1 UNL1111111111 -0.1288 32 C 3.4482 2.7552 1.2172 C.ar 1 UNL1111111111 -0.2445 33 C 4.8276 2.8559 1.0162 C.ar 1 UNL1111111111 0.2300 34 O 5.5311 3.3558 2.0769 O.3 1 UNL1111111111 -0.3693 35 C 6.7603 2.7048 2.3829 C.3 1 UNL1111111111 -0.0297 36 C 3.7328 -0.7981 -1.8013 C.2 1 UNL1111111111 0.5693 37 O 4.3757 -1.2264 -2.7314 O.2 1 UNL1111111111 -0.5174 38 N 4.0801 -0.9228 -0.4707 N.am 1 UNL1111111111 -0.6051 39 C 5.2584 -1.6111 0.0618 C.3 1 UNL1111111111 0.0011 40 C 6.2082 -0.5741 0.7097 C.2 1 UNL1111111111 0.5512 41 O 6.9300 0.1739 0.0919 O.2 1 UNL1111111111 -0.5097 42 C 6.0672 -2.4499 -0.9595 C.3 1 UNL1111111111 -0.0834 43 C 5.2375 -3.6743 -1.3959 C.3 1 UNL1111111111 -0.2512 44 C 7.3856 -2.9070 -0.3261 C.3 1 UNL1111111111 -0.4652 45 C 5.6998 -4.1929 -2.7571 C.3 1 UNL1111111111 -0.4334 46 N 6.2316 -0.6179 2.0927 N.am 1 UNL1111111111 -0.6188 47 C 7.1452 0.2306 2.8638 C.3 1 UNL1111111111 -0.0548 48 C 6.4822 1.5366 3.3348 C.3 1 UNL1111111111 -0.3477 49 H -9.6194 1.2826 2.2000 H 1 UNL1111111111 0.1648 50 H -10.8546 0.4148 1.2649 H 1 UNL1111111111 0.1412 51 H -10.0768 -0.3523 2.6592 H 1 UNL1111111111 0.1501 52 H -8.7103 0.3736 -0.0260 H 1 UNL1111111111 0.1641 53 H -9.0961 -1.2647 0.5225 H 1 UNL1111111111 0.1596 54 H -6.7684 -1.8258 0.3780 H 1 UNL1111111111 0.3305 55 H -5.0820 -0.3943 2.3970 H 1 UNL1111111111 0.1817 56 H -5.7988 -2.6154 3.3306 H 1 UNL1111111111 0.1509 57 H -4.9169 -4.7375 2.3006 H 1 UNL1111111111 0.1423 58 H -6.0614 -3.9382 1.2179 H 1 UNL1111111111 0.1480 59 H -4.3299 -3.8431 0.8936 H 1 UNL1111111111 0.1621 60 H -2.8126 -2.4453 2.5192 H 1 UNL1111111111 0.1524 61 H -3.5603 -1.6048 3.8904 H 1 UNL1111111111 0.1461 62 H -3.4615 -3.3651 3.8753 H 1 UNL1111111111 0.1503 63 H -2.9824 0.0947 1.4676 H 1 UNL1111111111 0.3215 64 H -2.6705 -0.8012 -1.3904 H 1 UNL1111111111 0.1733 65 H -2.3778 2.0208 -0.0982 H 1 UNL1111111111 0.1737 66 H -1.8688 1.6446 -1.7285 H 1 UNL1111111111 0.1540 67 H -4.7334 2.2905 0.4393 H 1 UNL1111111111 0.1554 68 H -3.5629 0.7974 -3.4276 H 1 UNL1111111111 0.1485 69 H -7.0828 2.4528 -0.3241 H 1 UNL1111111111 0.1641 70 H -5.9287 0.9716 -4.2135 H 1 UNL1111111111 0.1724 71 H -0.7684 -1.2643 0.4714 H 1 UNL1111111111 0.1303 72 H -0.1717 0.3359 -2.1409 H 1 UNL1111111111 0.1560 73 H -0.3627 -1.4333 -2.0531 H 1 UNL1111111111 0.1318 74 H 0.5432 0.7639 0.5489 H 1 UNL1111111111 0.3453 75 H -8.5268 2.1241 -2.1459 H 1 UNL1111111111 0.3234 76 H 1.5950 -1.5814 -0.7230 H 1 UNL1111111111 0.2680 77 H 2.0335 -0.5645 -3.0958 H 1 UNL1111111111 0.1509 78 H 2.8031 1.6527 -3.1366 H 1 UNL1111111111 0.1589 79 H 1.3707 1.7715 -2.1109 H 1 UNL1111111111 0.1625 80 H 5.0554 1.8492 -2.2099 H 1 UNL1111111111 0.1667 81 H 6.4926 2.6421 -0.3593 H 1 UNL1111111111 0.1776 82 H 1.5736 2.2252 0.3042 H 1 UNL1111111111 0.1572 83 H 3.0171 3.0329 2.1746 H 1 UNL1111111111 0.1692 84 H 7.2919 2.3866 1.4676 H 1 UNL1111111111 0.1504 85 H 7.3275 3.5198 2.8685 H 1 UNL1111111111 0.1405 86 H 3.5795 -0.3407 0.2018 H 1 UNL1111111111 0.3285 87 H 4.8750 -2.3186 0.8537 H 1 UNL1111111111 0.1439 88 H 6.2992 -1.8103 -1.8490 H 1 UNL1111111111 0.1904 89 H 4.1653 -3.4095 -1.4601 H 1 UNL1111111111 0.1356 90 H 5.3087 -4.4738 -0.6366 H 1 UNL1111111111 0.1267 91 H 7.2385 -3.3973 0.6398 H 1 UNL1111111111 0.1383 92 H 7.8994 -3.6224 -0.9813 H 1 UNL1111111111 0.1543 93 H 8.0767 -2.0665 -0.1814 H 1 UNL1111111111 0.1601 94 H 5.1228 -5.0694 -3.0665 H 1 UNL1111111111 0.1338 95 H 5.5663 -3.4220 -3.5313 H 1 UNL1111111111 0.1626 96 H 6.7578 -4.4721 -2.7480 H 1 UNL1111111111 0.1381 97 H 5.5593 -1.1450 2.6198 H 1 UNL1111111111 0.3057 98 H 8.0549 0.4474 2.2513 H 1 UNL1111111111 0.1651 99 H 7.4982 -0.3562 3.7427 H 1 UNL1111111111 0.1323 100 H 6.8278 1.7860 4.3549 H 1 UNL1111111111 0.1487 101 H 5.3844 1.4036 3.4307 H 1 UNL1111111111 0.1710 @BOND 1 1 2 1 2 1 49 1 3 1 50 1 4 1 51 1 5 2 3 1 6 2 52 1 7 2 53 1 8 3 4 2 9 3 5 am 10 5 6 1 11 5 54 1 12 6 7 1 13 6 9 1 14 6 55 1 15 7 8 2 16 7 12 am 17 9 10 1 18 9 11 1 19 9 56 1 20 10 57 1 21 10 58 1 22 10 59 1 23 11 60 1 24 11 61 1 25 11 62 1 26 12 13 1 27 12 63 1 28 13 14 1 29 13 21 1 30 13 64 1 31 14 15 1 32 14 65 1 33 14 66 1 34 15 16 ar 35 15 17 ar 36 16 18 ar 37 16 67 1 38 17 19 ar 39 17 68 1 40 18 20 ar 41 18 69 1 42 19 20 ar 43 19 70 1 44 20 24 1 45 21 22 1 46 21 23 1 47 21 71 1 48 22 25 1 49 22 72 1 50 22 73 1 51 23 74 1 52 24 75 1 53 25 26 1 54 25 76 1 55 26 27 1 56 26 36 1 57 26 77 1 58 27 28 1 59 27 78 1 60 27 79 1 61 28 29 ar 62 28 31 ar 63 29 30 ar 64 29 80 1 65 30 33 ar 66 30 81 1 67 31 32 ar 68 31 82 1 69 32 33 ar 70 32 83 1 71 33 34 1 72 34 35 1 73 35 48 1 74 35 84 1 75 35 85 1 76 36 37 2 77 36 38 am 78 38 39 1 79 38 86 1 80 39 40 1 81 39 42 1 82 39 87 1 83 40 41 2 84 40 46 am 85 42 43 1 86 42 44 1 87 42 88 1 88 43 45 1 89 43 89 1 90 43 90 1 91 44 91 1 92 44 92 1 93 44 93 1 94 45 94 1 95 45 95 1 96 45 96 1 97 46 47 1 98 46 97 1 99 47 48 1 100 47 98 1 101 47 99 1 102 48 100 1 103 48 101 1