HMDB0061556 RDKit 3D PS(DiMe(11,3)/DiMe(9,5)) 138139 0 0 0 0 0 0 0 0999 V2000 -16.1811 1.8627 2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6328 1.3738 0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5708 2.3573 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0729 1.8213 -1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0530 2.6392 -1.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8467 2.8364 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7473 2.1008 -0.9591 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8480 2.4798 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4813 1.8748 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4210 2.7082 -0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0642 2.1091 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0072 0.7261 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6312 0.1523 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2494 0.0873 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -0.5426 1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 0.2287 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5185 -0.4610 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 -0.0978 1.4131 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 -1.5003 -0.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 -2.2315 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -2.0265 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -2.7117 -1.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 -4.0157 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 -4.8023 -1.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7846 -4.5822 -1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 -3.6184 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 -3.0765 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8127 -2.1323 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6801 -1.5614 1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8690 -0.6260 2.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 -1.3337 1.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4059 -0.6024 2.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8709 0.5921 1.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 1.8332 1.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8991 2.8626 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5869 3.8503 1.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1675 4.5223 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0264 5.7066 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4783 5.3124 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3087 6.5828 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8259 3.9178 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2825 4.3838 -2.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0133 2.8562 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4028 1.9121 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 -3.5882 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1176 -4.2742 -0.5273 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4016 -5.8205 0.1286 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9037 -6.2602 0.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 -5.7171 1.3411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8776 -6.8329 -1.1271 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 -7.0385 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6832 -7.9734 -2.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3728 -7.3301 -3.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1225 -8.2969 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8829 -8.0098 -2.9872 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6802 -8.9101 -0.9179 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3742 3.5505 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7123 4.3402 1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6333 3.7810 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5679 4.8598 0.4517 C 0 0 0 0 0 0 0 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