HMDB0042049 RDKit 3D Trichloroethanol glucuronide 29 29 0 0 0 0 0 0 0 0999 V2000 -1.7839 2.5685 2.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 2.0786 1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 2.5989 0.2969 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2239 0.9850 0.5204 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2150 0.5376 1.3413 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7039 -0.1442 0.4473 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8380 -0.4408 1.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 0.1539 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6437 -0.0469 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 0.8651 -0.4605 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7223 0.4409 -1.8380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1464 -1.7698 -0.6064 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 -1.3671 -0.0794 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8917 -2.1186 -0.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2272 -0.9868 -0.8628 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8575 -2.1110 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -0.2253 0.1628 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3020 0.1239 -0.3434 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 3.2687 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7313 1.3420 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 0.6107 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 1.2490 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -0.3071 1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 -1.9702 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -2.5564 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -0.2699 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6463 -1.8310 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1281 -0.8889 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 0.2111 0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 6 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 4 1 0 3 19 1 0 4 20 1 6 6 21 1 6 8 22 1 0 8 23 1 0 13 24 1 1 14 25 1 0 15 26 1 6 16 27 1 0 17 28 1 1 18 29 1 0 M END