HMDB0256019 RDKit 3D Oxypertine 57 60 0 0 0 0 0 0 0 0999 V2000 7.6847 0.3106 2.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5241 -0.4144 2.4497 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3519 -0.0648 1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 0.9556 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 1.2991 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 2.2151 -0.7117 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 2.1292 -1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 3.0029 -2.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 1.1073 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 0.6683 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 -0.1474 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.5896 -1.6593 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 -1.5535 -0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -1.6347 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7918 -0.4712 -0.7648 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1735 -0.4464 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7476 -1.6126 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0778 -1.5850 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8362 -0.4329 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2628 0.7149 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9253 0.6887 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1947 0.6752 -1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 0.1808 -2.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9494 0.5860 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -0.4313 1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2057 -0.7695 2.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 -1.8112 2.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 -2.5221 3.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4999 -0.1094 2.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 0.1534 1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5516 1.3917 2.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1987 1.5075 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4548 2.9073 -1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 3.9786 -2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 3.1881 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8159 2.4641 -2.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 1.5614 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3119 0.1306 0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 0.5100 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -1.0283 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -2.5540 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -1.3452 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 -2.5408 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2254 -1.9068 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1293 -2.5106 0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5251 -2.5021 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 -0.4745 0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8377 1.6302 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4565 1.5961 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8935 1.1860 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8261 1.3534 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 -0.4792 -3.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6186 0.9803 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 -0.9874 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 -1.8529 3.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5679 -2.8967 2.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 -3.3977 3.8609 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 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 15 22 1 0 22 23 1 0 9 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 26 3 1 0 24 5 2 0 23 12 1 0 21 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 6 33 1 0 8 34 1 0 8 35 1 0 8 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 25 54 1 0 28 55 1 0 28 56 1 0 28 57 1 0 M END