HMDB0303713 RDKit 3D Cyclo(aspartylleucylthreonylvalyltyrosylphenylalanylglycyl) 110112 0 0 0 0 0 0 0 0999 V2000 7.0256 0.7115 1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9753 -0.7583 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2953 -1.1848 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -1.3292 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5999 -0.8927 -0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 -1.5055 -1.6622 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 -2.4894 -1.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 -3.6480 -1.8103 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 -2.3836 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 -3.7253 0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7454 -4.1089 1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 -4.7852 0.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 -3.7788 2.4115 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3086 -2.0776 -0.9667 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0165 -2.3319 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 -2.9433 -1.3678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 -1.9896 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -2.8373 0.9536 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0549 -2.5259 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6465 -3.3042 -0.3298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 -1.3349 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8829 -1.8673 1.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -2.8651 1.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9260 -2.5144 0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7794 -3.4825 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4726 -4.8095 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3187 -5.1739 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4752 -4.2056 1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0236 -0.4224 1.7137 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 0.9662 1.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 1.6245 2.7144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 1.8225 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7428 2.7939 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0325 2.1963 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9414 1.9523 0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1841 1.3976 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5616 1.0690 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8244 0.5060 -0.9556 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6751 1.3040 -1.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 1.8601 -1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 1.1616 -0.6965 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 1.6748 -1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 1.6433 -2.8506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1594 2.3048 -1.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1369 3.6608 -1.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 4.5971 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0594 3.4831 -3.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 1.4923 -1.7648 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 1.6560 -1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3275 1.7569 -2.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4363 1.7339 -0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2079 3.1361 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0582 3.1649 1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 4.1965 -0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8619 1.5850 -0.6459 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5776 0.5692 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3934 0.9359 -2.1798 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8290 0.9051 2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3898 1.2591 0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1162 1.1428 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0127 -1.2095 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0897 -0.9255 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -2.2502 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 -0.5346 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9273 -1.2178 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 -2.4450 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 -1.3540 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -1.1234 -2.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6535 -1.5484 0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -4.5105 -0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -3.6942 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 -2.8221 2.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4458 -1.6212 -1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0976 -2.0316 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 -0.9272 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 -3.7667 1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3461 -0.8756 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 -0.9400 2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 -2.1913 2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2249 -1.5002 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 3.1109 1.0426 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 3.3026 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5882 3.8715 2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 3.4966 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 2.1713 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8313 4.4910 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 5.1371 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 3.8717 -1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.4370 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 21 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 37 39 1 0 39 40 2 0 32 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 44 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 51 55 1 0 55 56 1 0 56 57 2 0 56 5 1 0 28 23 1 0 40 34 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 6 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 13 72 1 0 14 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 24 80 1 0 25 81 1 0 26 82 1 0 27 83 1 0 28 84 1 0 29 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 35 89 1 0 36 90 1 0 38 91 1 0 39 92 1 0 40 93 1 0 41 94 1 0 44 95 1 0 45 96 1 0 46 97 1 0 46 98 1 0 46 99 1 0 47100 1 0 48101 1 0 51102 1 0 52103 1 0 53104 1 0 53105 1 0 53106 1 0 54107 1 0 54108 1 0 54109 1 0 55110 1 0 M END