HMDB0000877 RDKit 3D Umanopterin 29 30 0 0 0 0 0 0 0 0999 V2000 5.5779 0.2516 -0.4706 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2508 0.0311 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 0.1083 -0.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -0.0925 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9314 -0.0297 -1.3531 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.2421 -0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -0.5273 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 -0.7618 0.9236 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1293 -0.0457 2.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -0.4277 0.0214 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0420 -1.1081 -1.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 1.0730 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3088 1.6758 1.1599 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 -0.5931 1.2592 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6953 -0.3923 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7685 -0.4574 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -0.7183 2.9387 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 -0.2444 1.2715 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9395 -0.4110 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1842 1.0175 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 0.1822 -2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 -0.1668 -1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0549 -1.8419 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 0.6849 2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0725 -0.7813 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4816 -0.6765 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 1.5247 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1764 1.3280 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2193 1.6408 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 7 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 2 2 0 15 4 1 0 1 19 1 0 1 20 1 0 5 21 1 0 6 22 1 0 8 23 1 1 9 24 1 0 10 25 1 1 11 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 M END