HMDB0061481 RDKit 3D PE(DiMe(11,5)/DiMe(11,5)) 147148 0 0 0 0 0 0 0 0999 V2000 -4.3561 5.0642 3.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5150 4.0982 3.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9286 3.7314 2.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0679 2.7848 2.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 2.3993 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 1.7395 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4762 0.4508 -0.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5338 0.1933 -0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1042 -1.1280 -1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 -1.7202 -0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -0.9930 -0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -1.8326 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1323 -1.2332 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 0.1295 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4069 0.6464 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 0.7509 -1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3055 1.2493 -1.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 2.6046 -0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 3.6857 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 4.6348 -2.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 3.7389 -1.7254 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 4.8233 -2.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6528 4.4224 -2.4113 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1543 4.3732 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 3.4678 -0.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 3.5576 1.3324 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4617 4.9994 1.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4466 2.5349 1.3921 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 3.0319 2.4984 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 2.4947 3.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 1.9782 4.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9562 3.0593 5.1512 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 3.1780 -3.0319 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4254 2.8613 -4.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 3.7276 -4.8296 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4078 1.4326 -4.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 1.2267 -5.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -0.1447 -6.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -1.1472 -4.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -2.5376 -5.5409 C 0 0 0 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