@MOLECULE (9z)-11-{hydroxy[(5s)-6-{[(2s)-4-{[(3s)-1-hydroxy-2-oxo-3-azepanyl]amino}-4-oxo-2-butanyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxo-9-undecenoic acid 107 109 0 0 0 SMALL GASTEIGER @ATOM 1 O 8.7945 -0.5809 0.1336 O.3 1 UNL111111111 -0.4625 2 C 9.0182 -1.7919 0.6539 C.ar 1 UNL111111111 0.3845 3 C 10.1348 -1.8640 1.5131 C.ar 1 UNL111111111 -0.2802 4 C 10.4418 -3.0694 2.1129 C.ar 1 UNL111111111 -0.0309 5 C 9.6554 -4.2091 1.8771 C.ar 1 UNL111111111 -0.2575 6 C 8.5644 -4.1377 1.0294 C.ar 1 UNL111111111 -0.0165 7 C 8.2311 -2.9294 0.3932 C.ar 1 UNL111111111 -0.2709 8 C 7.1052 -2.8629 -0.5060 C.2 1 UNL111111111 0.4441 9 N 6.7758 -1.8916 -1.3086 N.2 1 UNL111111111 -0.5317 10 C 5.5327 -2.2375 -2.0020 C.3 1 UNL111111111 -0.0656 11 C 5.2234 -3.6781 -1.4949 C.3 1 UNL111111111 -0.0720 12 O 6.2747 -3.9634 -0.5484 O.2 1 UNL111111111 -0.3649 13 C 4.4472 -1.2614 -1.5191 C.2 1 UNL111111111 0.5753 14 O 4.2524 -1.0604 -0.3472 O.2 1 UNL111111111 -0.4575 15 N 3.6523 -0.7439 -2.5391 N.am 1 UNL111111111 -0.6039 16 C 2.6646 0.3104 -2.2867 C.3 1 UNL111111111 0.0309 17 C 3.4033 1.6487 -2.2107 C.2 1 UNL111111111 0.5605 18 O 4.5913 1.8147 -2.2788 O.2 1 UNL111111111 -0.4892 19 O 2.5126 2.6654 -2.1664 O.3 1 UNL111111111 -0.4497 20 C 3.0609 3.9906 -2.0389 C.3 1 UNL111111111 0.1952 21 C 1.8646 4.8269 -1.5687 C.3 1 UNL111111111 -0.4064 22 C 1.6200 4.6266 -0.0906 C.2 1 UNL111111111 0.5967 23 O 2.2854 3.9234 0.6325 O.2 1 UNL111111111 -0.4854 24 N 0.5572 5.3725 0.4173 N.am 1 UNL111111111 -0.6192 25 C 0.0624 5.0998 1.7611 C.3 1 UNL111111111 0.0192 26 C -0.4671 6.3649 2.4589 C.3 1 UNL111111111 -0.2987 27 C -1.5598 7.1106 1.6871 C.3 1 UNL111111111 -0.2673 28 C -2.8172 6.2650 1.4594 C.3 1 UNL111111111 -0.3139 29 C -2.6602 5.2671 0.3010 C.3 1 UNL111111111 -0.0973 30 N -1.9381 4.0237 0.6318 N.am 1 UNL111111111 -0.2981 31 O -2.9518 3.0552 0.8188 O.3 1 UNL111111111 -0.3261 32 C -1.0533 4.0370 1.7555 C.2 1 UNL111111111 0.4898 33 O -1.0920 3.1667 2.5877 O.2 1 UNL111111111 -0.4485 34 C 1.8060 0.0815 -1.0297 C.3 1 UNL111111111 -0.2773 35 C 0.9902 -1.2039 -1.1943 C.3 1 UNL111111111 -0.2553 36 C 0.3047 -1.6173 0.1118 C.3 1 UNL111111111 -0.2940 37 C -0.4065 -2.9616 -0.1219 C.3 1 UNL111111111 -0.1029 38 N -1.2910 -3.4160 0.9635 N.am 1 UNL111111111 -0.3217 39 O -0.5134 -3.7704 2.0838 O.3 1 UNL111111111 -0.3205 40 C -2.3615 -2.5505 1.3470 C.2 1 UNL111111111 0.5876 41 O -2.7413 -1.7486 0.5177 O.2 1 UNL111111111 -0.5176 42 C -3.0273 -2.8252 2.6268 C.2 1 UNL111111111 -0.3279 43 C -4.3122 -2.5251 2.8673 C.2 1 UNL111111111 -0.0037 44 C -5.2288 -1.8227 1.9282 C.3 1 UNL111111111 -0.3133 45 C -6.6296 -2.4498 1.9070 C.3 1 UNL111111111 -0.2654 46 C -7.4861 -1.7656 0.8338 C.3 1 UNL111111111 -0.2746 47 C -8.8614 -2.4319 0.7023 C.3 1 UNL111111111 -0.2708 48 C -9.6545 -1.7531 -0.4217 C.3 1 UNL111111111 -0.2716 49 O -13.8579 -1.5294 -2.8118 O.3 1 UNL111111111 -0.5768 50 C -11.0621 -2.3436 -0.5482 C.3 1 UNL111111111 -0.2568 51 O -13.8143 -2.9124 -1.0684 O.2 1 UNL111111111 -0.5050 52 C -11.8214 -1.6325 -1.6729 C.3 1 UNL111111111 -0.3488 53 C 3.5664 4.4426 -3.4026 C.3 1 UNL111111111 -0.5054 54 C -13.2273 -2.1247 -1.7605 C.2 1 UNL111111111 0.6472 55 H 7.9644 -0.5281 -0.4410 H 1 UNL111111111 0.3860 56 H 10.7248 -0.9667 1.6855 H 1 UNL111111111 0.1805 57 H 11.3016 -3.1428 2.7807 H 1 UNL111111111 0.1468 58 H 9.9082 -5.1457 2.3668 H 1 UNL111111111 0.1588 59 H 7.9483 -5.0217 0.8473 H 1 UNL111111111 0.1619 60 H 5.6981 -2.1931 -3.0999 H 1 UNL111111111 0.1640 61 H 4.2804 -3.7673 -0.9325 H 1 UNL111111111 0.1624 62 H 5.3003 -4.4479 -2.2744 H 1 UNL111111111 0.1431 63 H 3.9990 -0.7731 -3.4897 H 1 UNL111111111 0.3048 64 H 1.9772 0.3466 -3.1816 H 1 UNL111111111 0.1606 65 H 3.8751 3.9595 -1.2743 H 1 UNL111111111 0.1675 66 H 2.0423 5.8970 -1.7914 H 1 UNL111111111 0.1721 67 H 0.9600 4.5318 -2.1456 H 1 UNL111111111 0.1857 68 H -0.0614 5.8760 -0.1959 H 1 UNL111111111 0.3043 69 H 0.9161 4.6666 2.3738 H 1 UNL111111111 0.2070 70 H -0.8458 6.0818 3.4653 H 1 UNL111111111 0.1611 71 H 0.3827 7.0525 2.6493 H 1 UNL111111111 0.1592 72 H -1.8344 8.0249 2.2546 H 1 UNL111111111 0.1444 73 H -1.1669 7.4879 0.7242 H 1 UNL111111111 0.1356 74 H -3.0972 5.7304 2.3896 H 1 UNL111111111 0.1652 75 H -3.6759 6.9313 1.2460 H 1 UNL111111111 0.1470 76 H -3.6705 4.9876 -0.0921 H 1 UNL111111111 0.1674 77 H -2.1234 5.7317 -0.5566 H 1 UNL111111111 0.1420 78 H -2.4694 2.1754 0.7503 H 1 UNL111111111 0.3125 79 H 2.4364 0.0353 -0.1132 H 1 UNL111111111 0.1966 80 H 1.1409 0.9535 -0.8719 H 1 UNL111111111 0.1635 81 H 0.2317 -1.0669 -1.9893 H 1 UNL111111111 0.1313 82 H 1.6511 -2.0252 -1.5361 H 1 UNL111111111 0.1403 83 H 1.0388 -1.7076 0.9357 H 1 UNL111111111 0.1615 84 H -0.4199 -0.8438 0.4316 H 1 UNL111111111 0.1613 85 H -1.0556 -2.8971 -1.0295 H 1 UNL111111111 0.1589 86 H 0.3428 -3.7630 -0.3068 H 1 UNL111111111 0.1424 87 H -0.5025 -4.7717 2.0394 H 1 UNL111111111 0.2933 88 H -2.4078 -3.3123 3.3831 H 1 UNL111111111 0.1824 89 H -4.7620 -2.7870 3.8314 H 1 UNL111111111 0.1430 90 H -5.2886 -0.7492 2.2182 H 1 UNL111111111 0.1690 91 H -4.8225 -1.7988 0.8901 H 1 UNL111111111 0.1880 92 H -6.5546 -3.5313 1.6959 H 1 UNL111111111 0.1395 93 H -7.1141 -2.3618 2.8955 H 1 UNL111111111 0.1350 94 H -7.6071 -0.6922 1.0753 H 1 UNL111111111 0.1384 95 H -6.9621 -1.7973 -0.1422 H 1 UNL111111111 0.1423 96 H -8.7465 -3.5114 0.4929 H 1 UNL111111111 0.1388 97 H -9.4143 -2.3662 1.6570 H 1 UNL111111111 0.1382 98 H -9.7172 -0.6640 -0.2278 H 1 UNL111111111 0.1378 99 H -9.1097 -1.8611 -1.3796 H 1 UNL111111111 0.1388 100 H -11.0124 -3.4323 -0.7450 H 1 UNL111111111 0.1517 101 H -11.6127 -2.2462 0.4091 H 1 UNL111111111 0.1548 102 H -11.8223 -0.5310 -1.5114 H 1 UNL111111111 0.1815 103 H -11.3069 -1.7783 -2.6480 H 1 UNL111111111 0.1817 104 H 3.9354 5.4733 -3.3767 H 1 UNL111111111 0.1552 105 H 4.4065 3.8113 -3.7322 H 1 UNL111111111 0.1770 106 H 2.7898 4.3755 -4.1719 H 1 UNL111111111 0.1543 107 H -14.7970 -1.8118 -2.9244 H 1 UNL111111111 0.3558 @BOND 1 1 2 1 2 1 55 1 3 2 3 ar 4 2 7 ar 5 3 4 ar 6 3 56 1 7 4 5 ar 8 4 57 1 9 5 6 ar 10 5 58 1 11 6 7 ar 12 6 59 1 13 7 8 1 14 8 9 2 15 8 12 1 16 9 10 1 17 10 11 1 18 10 13 1 19 10 60 1 20 11 12 1 21 11 61 1 22 11 62 1 23 13 14 2 24 13 15 am 25 15 16 1 26 15 63 1 27 16 17 1 28 16 34 1 29 16 64 1 30 17 18 2 31 17 19 1 32 19 20 1 33 20 21 1 34 20 53 1 35 20 65 1 36 21 22 1 37 21 66 1 38 21 67 1 39 22 23 2 40 22 24 am 41 24 25 1 42 24 68 1 43 25 26 1 44 25 32 1 45 25 69 1 46 26 27 1 47 26 70 1 48 26 71 1 49 27 28 1 50 27 72 1 51 27 73 1 52 28 29 1 53 28 74 1 54 28 75 1 55 29 30 1 56 29 76 1 57 29 77 1 58 30 31 1 59 30 32 am 60 31 78 1 61 32 33 2 62 34 35 1 63 34 79 1 64 34 80 1 65 35 36 1 66 35 81 1 67 35 82 1 68 36 37 1 69 36 83 1 70 36 84 1 71 37 38 1 72 37 85 1 73 37 86 1 74 38 39 1 75 38 40 am 76 39 87 1 77 40 41 2 78 40 42 1 79 42 43 2 80 42 88 1 81 43 44 1 82 43 89 1 83 44 45 1 84 44 90 1 85 44 91 1 86 45 46 1 87 45 92 1 88 45 93 1 89 46 47 1 90 46 94 1 91 46 95 1 92 47 48 1 93 47 96 1 94 47 97 1 95 48 50 1 96 48 98 1 97 48 99 1 98 49 54 1 99 49 107 1 100 50 52 1 101 50 100 1 102 50 101 1 103 51 54 2 104 52 54 1 105 52 102 1 106 52 103 1 107 53 104 1 108 53 105 1 109 53 106 1