@MOLECULE n-[(3s,4s,7s,11r)-11-hydroxy-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-nalpha,nalpha-dimethyl-l-phenylalaninamide 84 86 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3013 -3.3487 0.3689 O.3 1 UNL1111111111 -0.3676 2 O 0.9034 -0.4069 -1.7651 O.2 1 UNL1111111111 -0.5565 3 O -2.4031 -0.9004 1.5926 O.2 1 UNL1111111111 -0.5559 4 O 3.2724 2.3377 1.1528 O.2 1 UNL1111111111 -0.5352 5 O 6.7578 -0.2678 -0.2294 O.3 1 UNL1111111111 -0.5577 6 N -1.6610 -1.3500 -0.4958 N.am 1 UNL1111111111 -0.5775 7 N 0.7517 0.6073 0.2533 N.am 1 UNL1111111111 -0.5840 8 N -4.6018 -2.1437 -0.3826 N.3 1 UNL1111111111 -0.4006 9 N 3.6776 1.4458 -0.8944 N.am 1 UNL1111111111 -0.5803 10 C 0.2545 -2.9672 -0.5258 C.3 1 UNL1111111111 0.0789 11 C -0.3042 -1.6030 -0.0333 C.3 1 UNL1111111111 -0.0514 12 C -0.7569 -4.1257 -0.3936 C.3 1 UNL1111111111 -0.0758 13 C 1.3355 1.8583 -0.2325 C.3 1 UNL1111111111 0.0098 14 C 0.5236 -0.4364 -0.6114 C.2 1 UNL1111111111 0.5631 15 C 0.6259 3.0475 0.4359 C.3 1 UNL1111111111 -0.3090 16 C 1.1996 4.4089 0.0008 C.3 1 UNL1111111111 -0.0569 17 C -0.1129 -5.4067 -0.9332 C.3 1 UNL1111111111 -0.4500 18 C -1.1868 -4.3085 1.0637 C.3 1 UNL1111111111 -0.4487 19 C -4.0363 -0.7914 -0.2123 C.3 1 UNL1111111111 -0.0303 20 C -2.6488 -1.0265 0.4100 C.2 1 UNL1111111111 0.5909 21 C 2.8385 1.8817 0.1169 C.2 1 UNL1111111111 0.5492 22 C -4.8227 0.1939 0.6762 C.3 1 UNL1111111111 -0.3316 23 C 2.4041 -2.5329 0.3341 C.ar 1 UNL1111111111 0.2024 24 C 1.1390 4.5907 -1.5182 C.3 1 UNL1111111111 -0.4597 25 C 0.4028 5.5226 0.6939 C.3 1 UNL1111111111 -0.4524 26 C 5.1200 1.4047 -0.6535 C.3 1 UNL1111111111 -0.1081 27 C 5.5723 0.2753 0.3290 C.3 1 UNL1111111111 0.1214 28 C 4.5565 -0.8276 0.3791 C.ar 1 UNL1111111111 -0.0769 29 C -4.4196 1.6010 0.3625 C.ar 1 UNL1111111111 0.0064 30 C 3.1848 -2.4120 -0.8159 C.ar 1 UNL1111111111 -0.2280 31 C 2.7310 -1.8981 1.5338 C.ar 1 UNL1111111111 -0.2268 32 C 4.2815 -1.5588 -0.7801 C.ar 1 UNL1111111111 -0.0952 33 C 3.8246 -1.0385 1.5484 C.ar 1 UNL1111111111 -0.1096 34 C -5.6671 -2.1708 -1.4038 C.3 1 UNL1111111111 -0.2734 35 C -5.0519 -2.7397 0.8895 C.3 1 UNL1111111111 -0.2811 36 C -3.4036 2.2355 1.0823 C.ar 1 UNL1111111111 -0.1606 37 C -5.0673 2.2854 -0.6683 C.ar 1 UNL1111111111 -0.1800 38 C -3.0481 3.5489 0.7795 C.ar 1 UNL1111111111 -0.1406 39 C -4.6975 3.5912 -0.9805 C.ar 1 UNL1111111111 -0.1333 40 C -3.6896 4.2264 -0.2564 C.ar 1 UNL1111111111 -0.1594 41 H 0.6476 -2.8844 -1.5627 H 1 UNL1111111111 0.1493 42 H -0.2695 -1.6059 1.0953 H 1 UNL1111111111 0.2025 43 H -1.6588 -3.8894 -1.0108 H 1 UNL1111111111 0.1428 44 H 1.2041 1.9178 -1.3518 H 1 UNL1111111111 0.1831 45 H 0.7144 2.9639 1.5394 H 1 UNL1111111111 0.1601 46 H -0.4565 3.0016 0.1980 H 1 UNL1111111111 0.1570 47 H -1.8641 -1.5555 -1.4616 H 1 UNL1111111111 0.3260 48 H 2.2667 4.4720 0.3350 H 1 UNL1111111111 0.1494 49 H 0.4371 0.5836 1.2120 H 1 UNL1111111111 0.3293 50 H 0.7999 -5.6558 -0.3745 H 1 UNL1111111111 0.1623 51 H 0.1631 -5.3104 -1.9879 H 1 UNL1111111111 0.1393 52 H -0.7937 -6.2592 -0.8439 H 1 UNL1111111111 0.1418 53 H -0.3237 -4.4918 1.7161 H 1 UNL1111111111 0.1605 54 H -1.7079 -3.4203 1.4471 H 1 UNL1111111111 0.1553 55 H -1.8710 -5.1543 1.1722 H 1 UNL1111111111 0.1388 56 H -3.9164 -0.3324 -1.2326 H 1 UNL1111111111 0.1618 57 H -4.6504 -0.0390 1.7508 H 1 UNL1111111111 0.1827 58 H -5.9117 0.0531 0.5210 H 1 UNL1111111111 0.1545 59 H 0.1343 4.3964 -1.9091 H 1 UNL1111111111 0.1472 60 H 1.8357 3.9202 -2.0346 H 1 UNL1111111111 0.1444 61 H 1.4118 5.6125 -1.8058 H 1 UNL1111111111 0.1442 62 H -0.6343 5.5503 0.3432 H 1 UNL1111111111 0.1422 63 H 0.8450 6.5057 0.4952 H 1 UNL1111111111 0.1417 64 H 0.3895 5.3889 1.7823 H 1 UNL1111111111 0.1441 65 H 3.3031 0.8185 -1.5995 H 1 UNL1111111111 0.3251 66 H 5.6464 1.2559 -1.6266 H 1 UNL1111111111 0.1619 67 H 5.4433 2.3918 -0.2513 H 1 UNL1111111111 0.1578 68 H 5.7841 0.6938 1.3376 H 1 UNL1111111111 0.1303 69 H 2.9296 -2.9580 -1.7186 H 1 UNL1111111111 0.1690 70 H 2.1271 -2.0633 2.4222 H 1 UNL1111111111 0.1713 71 H 4.9182 -1.4386 -1.6564 H 1 UNL1111111111 0.1642 72 H 4.0828 -0.5045 2.4628 H 1 UNL1111111111 0.1600 73 H -6.0448 -3.2028 -1.5023 H 1 UNL1111111111 0.1492 74 H -6.5211 -1.5108 -1.1946 H 1 UNL1111111111 0.1230 75 H -5.2328 -1.8934 -2.3798 H 1 UNL1111111111 0.1464 76 H -5.9801 -2.3123 1.2941 H 1 UNL1111111111 0.1241 77 H -5.1997 -3.8214 0.7325 H 1 UNL1111111111 0.1479 78 H -4.2598 -2.6271 1.6555 H 1 UNL1111111111 0.1661 79 H -2.8902 1.6979 1.8809 H 1 UNL1111111111 0.1703 80 H -5.8628 1.7995 -1.2268 H 1 UNL1111111111 0.1457 81 H 7.5414 0.0297 0.2635 H 1 UNL1111111111 0.3168 82 H -2.2700 4.0495 1.3546 H 1 UNL1111111111 0.1511 83 H -5.2021 4.1166 -1.7882 H 1 UNL1111111111 0.1450 84 H -3.4074 5.2481 -0.5007 H 1 UNL1111111111 0.1465 @BOND 1 1 10 1 2 1 23 1 3 2 14 2 4 3 20 2 5 4 21 2 6 5 27 1 7 5 81 1 8 6 11 1 9 6 20 am 10 6 47 1 11 7 13 1 12 7 14 am 13 7 49 1 14 8 19 1 15 8 34 1 16 8 35 1 17 9 21 am 18 9 26 1 19 9 65 1 20 10 11 1 21 10 12 1 22 10 41 1 23 11 14 1 24 11 42 1 25 12 17 1 26 12 18 1 27 12 43 1 28 13 15 1 29 13 21 1 30 13 44 1 31 15 16 1 32 15 45 1 33 15 46 1 34 16 24 1 35 16 25 1 36 16 48 1 37 17 50 1 38 17 51 1 39 17 52 1 40 18 53 1 41 18 54 1 42 18 55 1 43 19 20 1 44 19 22 1 45 19 56 1 46 22 29 1 47 22 57 1 48 22 58 1 49 23 30 ar 50 23 31 ar 51 24 59 1 52 24 60 1 53 24 61 1 54 25 62 1 55 25 63 1 56 25 64 1 57 26 27 1 58 26 66 1 59 26 67 1 60 27 28 1 61 27 68 1 62 28 32 ar 63 28 33 ar 64 29 36 ar 65 29 37 ar 66 30 32 ar 67 30 69 1 68 31 33 ar 69 31 70 1 70 32 71 1 71 33 72 1 72 34 73 1 73 34 74 1 74 34 75 1 75 35 76 1 76 35 77 1 77 35 78 1 78 36 38 ar 79 36 79 1 80 37 39 ar 81 37 80 1 82 38 40 ar 83 38 82 1 84 39 40 ar 85 39 83 1 86 40 84 1