HMDB0001517 RDKit 3D AICAR 37 38 0 0 0 0 0 0 0 0999 V2000 5.2176 0.5394 2.6803 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 0.4794 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 0.5022 0.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 0.3899 1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2956 0.3516 1.8995 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1455 0.2680 1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 0.2503 -0.0936 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 0.1672 -1.2157 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6969 0.7782 -0.8795 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7479 -0.0620 -1.1420 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9520 0.2549 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 0.1311 1.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0575 0.5061 1.9316 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9544 0.0819 3.3855 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 -0.3129 1.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2645 2.1839 1.8464 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 -1.4359 -0.8407 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8398 -2.4301 -1.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 -1.2951 -1.4432 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1976 -1.6190 -2.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7651 0.3241 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 0.3348 -1.4317 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 1.0382 2.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 0.0894 3.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 0.2194 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 0.5985 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.0499 -2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7806 -0.4271 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 1.2853 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6261 0.1975 0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5517 2.4583 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 -1.6537 0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9957 -2.0547 -2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 -1.9543 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 -0.8037 -3.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -0.5342 -1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 1.2031 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 13 16 1 0 10 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 21 1 0 21 22 1 0 21 4 2 0 19 8 1 0 1 23 1 0 1 24 1 0 6 25 1 0 8 26 1 6 10 27 1 6 11 28 1 0 11 29 1 0 15 30 1 0 16 31 1 0 17 32 1 1 18 33 1 0 19 34 1 1 20 35 1 0 22 36 1 0 22 37 1 0 M END