HMDB0006880 RDKit 3D Acetyl adenylate 42 44 0 0 0 0 0 0 0 0999 V2000 5.6690 2.6749 1.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 1.5145 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 1.4576 -0.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 0.3964 1.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 -0.9235 0.3944 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9463 -2.1445 0.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 -0.6593 -1.2341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.2428 0.4859 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 -1.5475 -0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5238 -1.8185 -0.6312 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0783 -0.6790 -0.1196 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -0.8526 -0.4583 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2169 0.3175 -0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1881 1.4852 -0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 2.3369 -0.3387 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 1.6747 0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7529 2.0816 1.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3293 3.3777 1.4291 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1737 1.1733 2.3991 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6215 -0.0678 2.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6341 -0.4473 1.6303 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1738 0.4123 0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -1.1562 -1.9360 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4683 -1.7369 -2.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 -2.1180 -1.9476 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6584 -3.4113 -1.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 2.6756 2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7698 2.5894 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 3.5877 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -1.4916 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 -2.4518 -1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1452 -0.6583 -1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 -2.6283 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 -1.7516 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 1.7247 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6298 3.7657 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4717 3.9768 2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9539 -0.8074 3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -0.2620 -2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7435 -2.4540 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5251 -1.9538 -2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -3.9585 -1.3496 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 5 7 1 0 5 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 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 12 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 10 1 0 22 13 1 0 22 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 7 30 1 0 9 31 1 0 9 32 1 0 10 33 1 1 12 34 1 1 14 35 1 0 18 36 1 0 18 37 1 0 20 38 1 0 23 39 1 6 24 40 1 0 25 41 1 6 26 42 1 0 M END