HMDB0029834 RDKit 3D Harmalan 26 28 0 0 0 0 0 0 0 0999 V2000 -2.9057 2.0344 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2778 0.7018 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 -0.3548 -0.0799 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4666 -1.6630 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9997 -1.8487 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1992 -0.6384 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8133 0.5716 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 1.4591 0.2958 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 0.8477 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 1.3436 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7465 0.4943 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 -0.8463 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -1.3447 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1745 -0.5018 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7055 1.9430 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 2.4898 -0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 2.7247 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9261 -1.9890 -1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 -2.3447 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -2.6491 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6929 -2.2567 -1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 2.4763 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 2.3866 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7525 0.9012 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 -1.5401 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 -2.3966 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 7 2 1 0 14 9 1 0 14 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 M END