HMDB0258867 RDKit 3D Tetrac 30 31 0 0 0 0 0 0 0 0999 V2000 -4.9892 0.2363 1.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1427 0.5244 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 1.6813 0.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5996 -0.3610 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1111 -0.3335 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 -1.2589 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0259 -1.2397 0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.6635 1.5632 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.2437 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9743 -0.1806 -0.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 -0.1131 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -0.1918 1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.1125 1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 -0.2349 2.8281 I 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 0.0508 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4279 0.1356 -0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 0.1276 -1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4126 0.3940 -3.0985 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 0.0502 -1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0621 0.6829 -0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 2.1778 -1.9829 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 0.6513 -0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3591 2.2981 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9503 -1.4106 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 -0.0712 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 -2.0283 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 -0.3212 1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 0.2556 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 0.1192 -2.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 1.3792 -1.5568 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 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 9 20 1 0 20 21 1 0 20 22 2 0 22 5 1 0 19 11 1 0 3 23 1 0 4 24 1 0 4 25 1 0 6 26 1 0 12 27 1 0 16 28 1 0 19 29 1 0 22 30 1 0 M END