HMDB0256177 RDKit 3D N-((Hexahydro-1-azepinyl)carbonyl)-leucyl(1-methyl)-tryptophyl-tryptophan 90 93 0 0 0 0 0 0 0 0999 V2000 -1.0040 -0.0471 3.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 1.1512 2.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 2.3465 3.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 1.1734 1.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 0.0389 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1227 0.3620 -0.0883 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1588 -0.5503 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1135 -1.6560 0.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2581 -0.2159 -1.2022 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1779 -1.2750 -1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6409 -1.1819 -0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3526 -0.0716 -1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3134 0.8259 -2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2768 1.7011 -2.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0223 1.1500 -1.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7935 -0.0940 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 0.1355 -1.2811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 -0.4529 0.4662 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -0.5586 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -1.8441 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 -3.0296 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 -3.8747 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3427 -4.8614 -0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 -5.9562 0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 -4.6502 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 -5.3510 -2.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 -4.9245 -3.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7963 -3.7756 -4.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 -3.0776 -3.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1316 -3.5130 -1.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 0.5776 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2184 1.4015 0.7434 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 0.7019 -0.8598 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7244 1.7884 -0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 1.6291 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 2.6732 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 2.5680 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 3.5214 1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0386 4.6375 2.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9628 5.5996 2.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 4.7727 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 3.8151 1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1209 3.1053 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 3.2250 -1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8566 4.2540 -0.6382 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6854 0.0738 4.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 -0.9864 3.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.1523 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 1.3844 2.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 2.2409 4.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 2.2413 3.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1155 3.3076 3.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 1.3080 2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7985 2.1182 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 -0.9446 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0234 1.3035 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8484 -2.1338 -0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0611 -1.8233 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0718 -2.1517 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7137 -0.8682 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8732 -0.5899 -2.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1915 0.2950 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7503 -0.0076 -2.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0900 0.9576 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4424 2.7835 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9845 1.8394 -3.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1432 1.1862 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8877 1.8362 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 -0.6526 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.4847 -1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -1.8975 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 -1.8070 -0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 -3.7875 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 -6.8334 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 -5.6146 1.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 -6.1893 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 -6.2524 -2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -5.4538 -4.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9638 -3.4261 -5.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 -2.1770 -3.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -0.0295 -1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 1.6345 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 1.6585 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 0.6197 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9056 1.6999 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5269 3.3818 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4172 5.5355 3.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 5.6372 2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 3.8833 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5506 5.1436 -1.0015 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 1 0 12 13 1 0 13 14 1 0 14 15 1 0 5 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 19 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 39 41 1 0 41 42 2 0 34 43 1 0 43 44 2 0 43 45 1 0 15 9 1 0 30 21 1 0 42 36 1 0 30 25 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 6 56 1 0 10 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 13 64 1 0 14 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 18 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 22 73 1 0 24 74 1 0 24 75 1 0 24 76 1 0 26 77 1 0 27 78 1 0 28 79 1 0 29 80 1 0 33 81 1 0 34 82 1 0 35 83 1 0 35 84 1 0 37 85 1 0 38 86 1 0 40 87 1 0 41 88 1 0 42 89 1 0 45 90 1 0 M END