HMDB0014258 RDKit 3D R-138727 44 46 0 0 0 0 0 0 0 0999 V2000 4.2894 2.0758 -0.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 1.5832 -1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 2.4655 -2.3741 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0726 0.1839 -1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3798 -0.1509 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 -1.0990 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 -1.9621 0.2473 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -1.3812 1.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -1.3846 1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2154 -0.0905 1.1097 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 -0.2461 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9448 -1.1120 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -1.0166 -1.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 -2.1700 -1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2498 -2.2605 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1703 -3.2523 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5939 1.1248 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 2.1821 0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 3.4528 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5545 3.6787 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9697 2.6484 -1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4674 1.3579 -0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 0.4242 -1.7530 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 0.6160 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 3.2969 -2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4596 0.0074 -2.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 -0.4399 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0722 -3.2530 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3789 -2.3405 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -0.5714 2.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 -1.7039 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5943 -2.1811 0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 -0.7084 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 -2.6765 -2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1637 -2.6228 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 -1.5135 0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 -4.3107 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 -3.0823 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 2.0865 1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 4.3059 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9441 4.6790 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 2.8098 -1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.0303 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5476 1.5207 0.8408 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 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 11 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 10 24 1 0 24 5 1 0 16 14 1 0 22 17 1 0 3 25 1 0 4 26 1 0 4 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 24 43 1 0 24 44 1 0 M END