HMDB0301826 RDKit 3D ent-Copalyl diphosphate 65 66 0 0 0 0 0 0 0 0999 V2000 0.0188 -0.7867 1.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5849 -0.3523 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8549 -1.3153 -0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -0.9351 -1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0113 -0.2852 -0.0012 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4788 -0.4699 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8941 -0.2812 -1.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7728 -1.9401 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2854 0.4105 0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4872 0.8912 1.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2474 1.6316 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5585 1.1036 0.2696 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8387 2.0671 -0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 1.0305 0.5179 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2737 1.8252 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1548 2.0501 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 0.9462 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 0.0780 -1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 0.6862 1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -0.4397 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 -0.0024 1.3393 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 -1.3328 1.3661 P 0 0 0 0 0 5 0 0 0 0 0 0 6.0518 -1.9385 2.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -2.4155 0.1661 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6881 -0.8043 1.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 -0.7396 -0.5530 P 0 0 0 0 0 5 0 0 0 0 0 0 9.5670 -0.9024 -0.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3099 -1.9734 -1.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5764 0.7830 -1.1279 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 -0.1390 2.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3063 -1.8243 1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0752 -1.4280 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.3062 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0289 -0.2583 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -1.8279 -1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -0.8752 0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6705 0.5103 -1.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3682 -1.1988 -2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0197 -0.0887 -2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6813 -2.5706 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8164 -1.9559 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0379 -2.3311 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1292 -0.1925 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7547 1.2734 0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2822 0.0411 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1401 1.5868 2.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 1.5563 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 2.7281 1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9008 2.0082 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 1.9135 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 3.1062 -0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 1.4909 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 2.8209 -0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 1.3388 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 2.6327 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5474 2.8490 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 0.4027 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 0.2845 -1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 -0.9746 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 1.3528 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 -1.1739 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -0.9916 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 -2.9938 0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8386 -2.8037 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2982 1.4493 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 6 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 14 2 1 0 12 5 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 1 7 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 13 49 1 0 13 50 1 0 13 51 1 0 14 52 1 1 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 18 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 24 63 1 0 28 64 1 0 29 65 1 0 M END