HMDB0251002 RDKit 3D Denzimol 42 44 0 0 0 0 0 0 0 0999 V2000 -3.3521 1.6693 1.1588 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 0.9637 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0807 -0.3001 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4793 -0.0526 0.3437 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5166 0.1376 -0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6774 0.3398 0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3067 0.2653 1.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9854 0.0293 1.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8467 0.5656 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 0.0427 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -0.3484 0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8198 -0.2202 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -0.6385 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 0.4966 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5359 0.0197 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 -0.5316 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 -0.9618 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2021 -0.8701 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5681 -0.3196 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 0.1101 -1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 0.3009 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 0.6944 -1.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5339 2.2058 1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 1.6003 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 -0.9122 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9601 -0.8491 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4358 0.1303 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6895 0.5228 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 -0.0819 2.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7326 -0.0735 1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -0.7552 1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 -1.4408 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -1.0838 -1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8732 0.8126 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9459 1.3772 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6736 -0.6286 1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9649 -1.3865 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2344 -1.2059 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1162 -0.2373 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 0.5464 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7442 0.3895 -2.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6481 1.0982 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 2 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 12 21 1 0 21 22 2 0 8 4 1 0 22 9 1 0 20 15 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 5 27 1 0 6 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 M END