HMDB0304910 RDKit 3D 26 26 0 0 0 0 0 0 0 0999 V2000 2.3120 0.8985 -0.9224 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -0.1498 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5409 -0.9715 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -0.3447 0.0036 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9685 -0.9010 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 -1.9922 1.1011 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 -0.2755 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4097 -0.8853 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 -0.3295 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 0.8477 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6593 1.4668 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4055 0.8958 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 -0.4766 -0.2223 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1859 0.4757 -0.9030 S 0 0 0 0 0 6 0 0 0 0 0 0 5.1813 0.3524 -2.3986 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0189 1.9351 -0.5764 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6736 -0.0410 -0.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -1.1662 1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6121 -1.9824 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 0.5477 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2793 -1.8118 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4991 -0.8788 0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 1.2644 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7474 2.3898 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 1.4036 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6393 -0.2714 0.6339 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 2 13 1 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 12 7 1 0 3 18 1 0 3 19 1 0 4 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 17 26 1 0 M END