HMDB0258723 RDKit 3D Taps 32 31 0 0 0 0 0 0 0 0999 V2000 4.4713 -1.2997 -1.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -0.1851 -0.4417 S 0 0 0 0 0 6 0 0 0 0 0 0 4.7750 0.1992 0.6595 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 1.1188 -1.4228 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 -0.8447 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 0.2155 1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -0.3092 1.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -0.7591 0.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 0.0363 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3298 0.9927 0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 0.2868 1.7864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 0.8530 -0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 1.5180 -1.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 -0.8877 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -1.8072 -1.3752 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 1.8879 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 -1.7110 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 -1.2075 -0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 1.1300 0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3256 0.4236 2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 -1.2139 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 0.3839 2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4794 -1.7056 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 1.7556 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0084 1.5350 0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9241 -0.1062 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 0.1995 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 1.6777 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 2.3545 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0189 -1.4895 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -0.2836 -1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9745 -2.7580 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 9 14 1 0 14 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 15 32 1 0 M END