HMDB0030944 RDKit 3D Cystophorene 29 28 0 0 0 0 0 0 0 0999 V2000 4.2354 2.8087 2.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 1.8553 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 1.6278 1.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5462 0.6602 1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 0.3860 1.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 -0.5960 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -1.4584 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4104 -1.4220 -1.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -1.8195 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9364 -1.1075 -1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 0.3746 -1.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2719 3.0057 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 3.4045 2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 1.2545 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 2.2381 2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 0.1022 0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4304 0.9611 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4941 -0.7445 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2565 -1.4779 -0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -2.5345 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 -2.1155 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 -0.4010 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9414 -1.7643 -2.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 -2.9173 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 -1.2451 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9021 -1.4682 -1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 0.7849 -1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2832 0.5774 -2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 0.9270 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 8 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END