HMDB0040934 RDKit 3D Uralene 48 50 0 0 0 0 0 0 0 0999 V2000 -1.1416 -3.5987 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8898 -2.6917 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 -1.3772 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 -0.4722 0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 -0.7655 1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -1.8754 2.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -2.2026 3.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -3.3397 4.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -1.3851 3.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -1.6419 4.1766 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.2707 2.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 0.0338 1.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 1.2357 0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7763 0.8250 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9115 1.2965 -1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 2.2234 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3036 0.8676 -2.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0952 0.7421 0.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 1.1664 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9959 2.4842 -1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 2.8910 -2.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9268 2.0187 -2.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 2.4585 -3.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9426 0.6782 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9279 -0.1260 -2.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 0.2905 -1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 -0.9919 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 -1.8763 -1.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 -4.5366 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1778 -3.8642 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9709 -3.1795 -1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 -2.5672 2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -3.5802 4.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 -2.4324 4.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 0.3660 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5138 1.9236 0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 1.8503 1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1657 0.1442 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1592 1.7710 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2059 3.1749 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6328 2.4968 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 1.7887 -2.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4021 0.5386 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0598 0.0588 -2.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 3.1576 -0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 3.9327 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8805 3.4151 -3.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1085 -1.0547 -2.3633 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 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 4 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 2 0 27 3 1 0 12 5 1 0 26 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 6 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 16 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 20 45 1 0 21 46 1 0 23 47 1 0 25 48 1 0 M END