HMDB0002354 RDKit 3D Hawkinsin 36 36 0 0 0 0 0 0 0 0999 V2000 2.5233 -0.0612 -0.6227 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6751 -1.2205 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6351 -1.3193 1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -1.4155 0.6958 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 0.1226 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 1.2699 0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 2.5489 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 3.5496 0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3353 2.3987 -1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 1.2915 -1.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 0.1073 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 0.3670 0.3396 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2869 -1.1418 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 -2.3211 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 -3.3093 -0.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 -2.3654 0.5813 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9883 -1.1371 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -2.0544 1.6824 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -0.0568 0.7129 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 0.7270 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 -0.2527 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 -2.1725 -0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -2.2366 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 -0.4391 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 0.4216 -0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 1.2590 1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 1.1073 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 2.9396 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 3.9726 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3106 3.3073 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 1.2536 -2.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7132 0.0106 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3179 -0.9980 -1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -1.3304 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1276 -3.0678 1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0555 0.2453 -0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 2 17 1 0 17 18 2 0 17 19 1 0 11 5 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 16 35 1 0 19 36 1 0 M END