HMDB0061525 RDKit 3D PE(MonoMe(11,5)/DiMe(11,3)) 138139 0 0 0 0 0 0 0 0999 V2000 -0.9348 5.2420 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2096 3.9254 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 3.1435 1.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1275 1.8008 1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 1.0922 3.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -0.2697 3.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 -1.4237 2.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3607 -2.4002 3.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -3.8217 2.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 -1.7443 3.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 -2.4065 4.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 -2.4451 3.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -1.0196 2.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 -0.9159 1.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -1.5093 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9807 -1.3438 -0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2218 -1.8957 -2.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -1.7485 -3.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3749 -2.1716 -4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 -3.5265 -4.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 -4.1640 -3.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 -5.0154 -3.1172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5036 -3.8569 -4.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -4.5542 -3.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -4.2653 -3.6608 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0128 -4.4360 -5.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -5.7133 -5.4881 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6437 -6.0546 -7.1416 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4080 -4.7798 -7.9365 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -6.6404 -7.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5147 -7.1847 -7.6115 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5552 -7.2727 -6.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 -8.2703 -7.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -7.9653 -8.3776 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -2.9660 -3.3383 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 -2.8599 -2.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -3.9883 -2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 -1.6625 -2.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 -0.4175 -2.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1981 0.8173 -1.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 0.7343 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3329 1.9894 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7331 1.9269 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4893 3.1501 1.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6914 4.4051 1.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 5.6550 2.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5962 5.8256 3.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4052 5.8285 4.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7572 6.9337 4.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 6.6581 5.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 7.5757 6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4986 7.4850 5.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 8.3886 6.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6732 5.3010 5.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 4.4925 6.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7411 4.7773 5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0174 3.3137 4.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9674 -0.5052 3.8281 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 5.6872 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4971 5.9239 1.2591 H 0 0 0 0 0 0 0 0 0 0 0 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