HMDB0014414 RDKit 3D Chlorotrianisene 48 50 0 0 0 0 0 0 0 0999 V2000 5.8708 -2.4356 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5353 -1.3458 0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3475 -0.6989 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 0.3778 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8904 1.0570 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 0.7039 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 1.4826 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 3.2316 -0.2480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 0.8786 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 1.7279 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 2.6990 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 3.5795 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 3.5626 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 4.4775 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9243 5.4135 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7317 2.6328 -1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6555 1.7319 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6128 -0.5604 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2866 -1.3735 -1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3668 -2.7553 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 -3.3542 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9244 -4.7105 0.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4188 -5.5138 1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 -2.5428 1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 -1.1934 0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 -0.3561 -1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 -1.0355 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5151 -2.2796 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -3.3677 -0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9896 -2.4504 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 0.6659 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 1.8805 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0511 2.7316 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 4.3090 1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9263 5.9009 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 6.1428 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 4.9206 1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4822 2.5909 -2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6549 1.0576 -2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 -0.9742 -2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9315 -3.3379 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8858 -5.2387 2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 -5.5596 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7947 -6.5505 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 -3.0245 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 -0.5579 1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4308 -0.6577 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5473 -1.8816 -1.6378 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 2 0 6 7 1 0 7 8 1 0 7 9 2 3 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 9 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 2 0 6 26 1 0 26 27 2 0 27 3 1 0 17 10 1 0 25 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 5 32 1 0 11 33 1 0 12 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 19 40 1 0 20 41 1 0 23 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 M END