HMDB0061564 RDKit 3D PS(DiMe(11,5)/DiMe(9,3)) 138139 0 0 0 0 0 0 0 0999 V2000 -4.7356 -9.8317 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3248 -9.5253 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7178 -8.5135 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 -8.1402 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8176 -7.1207 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5609 -6.6289 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 -6.9100 1.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7081 -6.2972 0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0909 -6.4226 1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 -5.3739 2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 -3.9714 1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5313 -3.6411 0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 -2.1917 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 -1.6572 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 -2.3492 -2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2405 -1.6142 -3.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 -0.5032 -3.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8837 0.5018 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 1.5084 -3.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 1.5935 -4.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 2.2959 -3.0413 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 3.2197 -3.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 3.8263 -2.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6318 2.6903 -1.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7845 3.2209 -0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 2.0303 -0.1157 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8671 0.8928 0.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 1.5801 -0.9212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5067 2.7039 1.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 3.1038 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 3.7135 3.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 4.8942 3.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 2.7250 4.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 1.6161 4.4644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 3.0383 4.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 4.6826 -3.2665 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 6.0045 -2.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 6.5129 -2.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2376 6.7968 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 8.1303 -3.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 8.0878 -1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 7.2877 -1.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 7.3487 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 6.4888 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8949 6.6144 1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1135 5.9046 1.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1525 4.4494 1.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0195 3.6446 2.9016 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0994 2.3810 2.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9987 1.2024 3.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 0.6373 3.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1579 0.1190 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2907 2.3376 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4354 1.1692 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3244 3.6644 0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5202 4.0534 -0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 -5.5334 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0038 -4.6618 -1.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8881 -5.7426 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 -5.1245 -1.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7640 -10.0406 0.7752 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1 0 54127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 58133 1 0 58134 1 0 58135 1 0 60136 1 0 60137 1 0 60138 1 0 M END