HMDB0259250 RDKit 3D Trioctyl trimellitate 93 93 0 0 0 0 0 0 0 0999 V2000 10.5633 -4.2560 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0641 -3.0773 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5644 -3.1158 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8516 -3.1132 0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3733 -3.1518 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7538 -2.0220 -0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -0.7237 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5675 -0.7635 1.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1865 -0.9445 1.8092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -0.0445 1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7186 0.9808 0.6722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8468 -0.2191 1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3256 -1.3118 2.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 -1.5051 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -0.5766 1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3314 -0.8785 1.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 -0.2191 1.1837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 -2.0108 2.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 -2.3977 2.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 13 57 1 0 14 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 21 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 23 67 1 0 23 68 1 0 24 69 1 0 24 70 1 0 25 71 1 0 25 72 1 0 26 73 1 0 26 74 1 0 26 75 1 0 31 76 1 0 31 77 1 0 32 78 1 0 32 79 1 0 33 80 1 0 33 81 1 0 34 82 1 0 34 83 1 0 35 84 1 0 35 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 M END