HMDB0060517 RDKit 3D trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene 40 43 0 0 0 0 0 0 0 0999 V2000 2.3550 -2.8065 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8969 -1.3951 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.3307 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0884 -0.4899 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 0.5971 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 1.8501 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 2.0548 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 0.9474 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8155 1.2012 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 2.5739 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 0.1054 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 0.2513 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2146 -0.8912 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6783 -2.1589 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3201 -2.2786 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 -1.1963 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6794 -0.7422 0.1145 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3439 -1.8419 -0.4435 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 0.5027 -0.4617 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3347 0.8771 0.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3022 1.6203 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 1.5442 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 -3.3099 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -3.3114 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 -2.9719 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -1.4597 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 0.4351 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 2.7354 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 3.0738 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 2.9626 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 2.6815 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 3.3284 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 -2.9913 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 -3.2703 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -0.7592 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3385 -2.5524 0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 0.2931 -1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7813 0.0594 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 2.6328 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4418 2.4299 -0.4214 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 16 2 1 0 8 3 1 0 16 11 1 0 22 12 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 14 33 1 0 15 34 1 0 17 35 1 1 18 36 1 0 19 37 1 6 20 38 1 0 21 39 1 0 22 40 1 0 M END