HMDB0304935 RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 -3.6526 1.1837 1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 0.0330 0.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3871 -0.4463 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -1.5527 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -2.0875 -1.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 -1.4424 -0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.3333 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 0.1437 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 0.0864 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 0.3709 1.3518 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 1.9037 1.4351 S 0 0 0 0 0 6 0 0 0 0 0 0 1.9005 2.6467 2.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 2.7283 0.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0635 1.8451 1.5247 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 -1.1091 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 -1.7996 -1.3321 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 1.4229 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 0.9788 2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2273 2.0249 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 -2.0588 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 -2.9603 -2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 1.0239 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 0.9570 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 1.3697 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 -0.7700 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -1.7405 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7409 -2.4184 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 9 15 1 0 15 16 1 0 8 3 1 0 16 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 5 21 1 0 8 22 1 0 9 23 1 0 14 24 1 0 15 25 1 0 15 26 1 0 16 27 1 0 M END