HMDB0015575 RDKit 3D Trioxsalen 29 31 0 0 0 0 0 0 0 0999 V2000 4.6360 -0.7653 -0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 -0.4628 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -1.4110 -0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9884 -0.8032 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3322 -1.1925 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.2969 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 -0.7025 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -2.0856 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5784 0.2417 0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 1.5233 0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 2.4416 1.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 1.8693 0.6678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9614 1.0095 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 1.4422 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 2.8435 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3248 0.5188 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 0.6610 -0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0408 -1.4745 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -1.1984 -1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1789 0.2040 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2983 -2.4603 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5754 -2.2060 -0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 -2.8541 0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2573 -2.2286 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0421 -2.2627 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 -0.0145 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7876 2.9947 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 3.5196 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4564 3.1498 1.6494 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 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 2 1 0 16 4 1 0 13 6 2 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 15 27 1 0 15 28 1 0 15 29 1 0 M END