HMDB0035948 RDKit 3D Cyclopassifloic acid D 84 88 0 0 0 0 0 0 0 0999 V2000 8.4853 1.2074 1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3186 1.6074 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7078 1.6986 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 0.6771 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 -0.2513 1.1509 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 0.8663 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9051 -0.2498 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -1.4572 -0.3066 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 0.0214 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -0.0255 -2.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4834 -0.8086 -0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -2.2845 -0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 -2.8189 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -1.8159 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 -2.6003 1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6484 -1.2614 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 -0.7936 -1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 -0.8246 -1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8502 0.3039 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3378 0.4182 -0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6815 0.3962 -2.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1542 -0.5966 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7887 -1.4455 -1.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2712 -0.6765 1.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7007 1.8291 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0922 1.9051 -0.5449 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 2.1278 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 1.8784 1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 2.0130 2.4183 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4455 0.4290 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -0.5168 1.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 -0.1860 0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1204 0.6610 1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2032 0.5966 0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -0.7908 0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.1970 1.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0435 0.3980 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1753 2.0941 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 0.8967 2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9979 2.6269 0.5149 H 0 0 0 0 0 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0 0 0 2.3811 -1.9110 1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -0.3342 2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 -1.7199 2.6950 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 2 0 22 24 1 0 20 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 11 1 0 35 14 1 0 32 16 1 0 30 19 1 0 32 30 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 3 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 10 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 15 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 21 66 1 0 21 67 1 0 21 68 1 0 24 69 1 0 25 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 29 75 1 0 31 76 1 0 31 77 1 0 33 78 1 0 33 79 1 0 34 80 1 0 34 81 1 0 36 82 1 0 36 83 1 0 36 84 1 0 M END