HMDB0030720 RDKit 3D Trigraecum 32 34 0 0 0 0 0 0 0 0999 V2000 -5.4506 0.8478 0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -0.0246 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -0.1636 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6529 0.5726 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 0.4184 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 1.1595 1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8903 1.9551 1.9169 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.9933 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.1288 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8443 -0.0227 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 0.6633 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 0.4671 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6119 -0.4127 -0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 -1.1074 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 -0.9173 -1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -0.5590 -0.8129 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7647 -0.4412 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6588 -1.1705 -1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -1.0295 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9332 -1.7541 -1.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0484 1.8643 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5498 0.9136 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3839 0.4608 1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 1.2485 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 1.6046 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 1.3706 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8735 1.0273 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 -0.5689 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -1.8127 -2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5643 -1.4543 -1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 -1.8628 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 -2.3940 -2.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 9 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 3 1 0 17 5 2 0 15 10 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 8 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 18 31 1 0 20 32 1 0 M END