HMDB0031669 RDKit 3D Captafol 27 28 0 0 0 0 0 0 0 0999 V2000 0.5973 2.1683 -0.4661 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 1.0391 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 0.6033 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 1.6022 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 0.8904 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6936 -0.4198 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -1.3390 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 -0.5130 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0652 -1.1412 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 -2.3525 0.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 -0.0344 0.3625 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 -0.0700 0.8088 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6772 -0.2032 -0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 1.2460 -1.6178 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4897 -1.6537 -1.5371 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -0.2315 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2688 -1.6233 1.1598 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 1.2419 1.0761 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 0.1617 -1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2654 2.5068 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 1.8474 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5305 1.4540 -0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 -0.9168 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 -1.8988 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -2.0518 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -0.0734 1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -0.2389 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 11 2 1 0 8 3 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 16 27 1 0 M END