HMDB0254842 RDKit 3D Monatin 37 38 0 0 0 0 0 0 0 0999 V2000 -3.0399 -0.0920 1.8056 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -1.0323 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4278 -0.4769 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1892 0.3715 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 0.7346 -2.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0454 -0.4203 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 0.3294 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5265 1.5457 -1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 1.8551 -0.9681 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 0.8923 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8297 0.7229 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -0.4034 0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 -1.3642 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 -1.1894 0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5553 -0.0590 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 1.5639 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 1.5728 1.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 2.8061 -0.3789 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 -1.8561 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0343 -2.8459 -0.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1814 -1.4927 1.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1374 -0.6412 2.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9524 0.4161 1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 -1.7606 1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3256 -1.3018 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 0.1292 -0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -0.1034 -2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 -0.7907 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0531 -1.3775 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 2.1871 -1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 2.7238 -1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4867 1.5171 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 -0.5336 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 -2.2307 1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 -1.9210 0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 3.2581 -0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7806 -0.7330 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 4 16 1 0 16 17 2 0 16 18 1 0 2 19 1 0 19 20 2 0 19 21 1 0 15 7 1 0 15 10 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 8 30 1 0 9 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 18 36 1 0 21 37 1 0 M END