HMDB0037687 RDKit 3D Prunus inhibitor b 65 71 0 0 0 0 0 0 0 0999 V2000 -6.3370 -4.7628 1.6706 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4773 -3.7316 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8977 -2.4395 1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0656 -1.3755 1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8478 -1.5247 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 -0.3570 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7542 0.8620 0.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 2.0280 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7288 3.1789 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0882 4.3747 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 5.4960 -0.3657 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 4.4283 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0132 3.2500 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 3.4000 0.2665 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 2.0324 0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 0.7658 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 0.1708 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 -0.3471 -1.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 -0.8736 -2.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.8922 -3.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -1.4265 -4.3617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -0.3978 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 0.1299 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 0.6192 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 0.8450 -0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 0.2905 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 0.8526 1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4566 0.2882 2.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0973 -0.8868 1.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0288 -1.4649 2.7266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 -1.4698 0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4193 -2.6407 0.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8449 -0.8721 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.6156 -2.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4429 1.8252 -2.8718 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 -0.4054 -2.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7253 -0.3256 -0.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 -0.2263 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 0.3573 2.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4671 -2.8148 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2622 -3.9021 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0454 -5.7067 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8459 -2.2707 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3876 -0.3794 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 3.1041 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3651 6.3637 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 5.3606 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 2.6859 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 0.9899 1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8749 -1.2785 -3.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4006 -1.4810 -4.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 1.9799 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0016 1.7822 1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6836 0.7662 3.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4984 -2.3016 2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 -3.0468 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 -1.3440 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5251 0.2544 -2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0719 2.5374 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -0.0875 -3.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 -1.4249 -2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 -1.1963 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 -0.1070 3.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5189 -2.9775 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9532 -4.8960 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 2 0 25 34 1 0 34 35 1 0 34 36 1 0 18 37 1 0 16 38 1 0 38 39 1 0 5 40 1 0 40 41 2 0 41 2 1 0 37 6 1 0 38 6 1 0 15 8 1 0 23 17 1 0 33 26 1 0 36 22 1 0 1 42 1 0 3 43 1 0 4 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 14 48 1 0 16 49 1 0 19 50 1 0 21 51 1 0 25 52 1 0 27 53 1 0 28 54 1 0 30 55 1 0 32 56 1 0 33 57 1 0 34 58 1 0 35 59 1 0 36 60 1 0 36 61 1 0 38 62 1 0 39 63 1 0 40 64 1 0 41 65 1 0 M END