HMDB0061604 RDKit 3D PS(MonoMe(11,3)/MonoMe(13,5)) 144145 0 0 0 0 0 0 0 0999 V2000 20.1175 2.4828 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5980 1.0941 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2620 1.3248 1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6019 0.0684 1.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2610 0.4027 2.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4201 1.0505 1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3192 2.3702 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4122 2.4824 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0046 3.7391 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9960 1.1914 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0035 0.8114 -1.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6100 1.2487 -1.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6016 0.8023 -2.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2169 1.2851 -1.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7025 0.8933 -0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2966 1.4025 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 0.7493 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -0.7224 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3574 -1.4589 -1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 -0.9720 -1.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -1.9127 -2.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -1.5786 -2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 -1.5299 -1.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 -1.6266 -0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -1.3637 -1.9353 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -1.2761 -0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 -0.0976 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 0.2591 0.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2346 -0.3190 0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6245 -1.3883 0.0743 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9855 0.3870 1.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0216 1.2351 0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8476 2.0831 1.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6804 1.4420 2.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7620 0.5221 2.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7746 1.2071 1.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8949 0.2777 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8888 0.9215 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4288 2.1591 0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4092 2.9445 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6342 2.2191 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7383 2.3687 0.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.7104 1.6406 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1133 1.5266 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3062 2.4766 1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0683 3.9148 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2424 0.9508 -1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9002 1.3308 -1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0002 0.8507 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 -2.6197 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7497 -3.0025 -1.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4327 -4.5358 -1.4182 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6835 -5.5107 -2.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0552 -4.6092 -1.8024 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2216 -5.0480 0.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 -6.4019 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 -7.0019 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7853 -8.4065 1.4708 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3322 -6.3810 2.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 -7.0225 3.1132 O 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