HMDB0248246 RDKit 3D alpha,beta-Methylene ATP 49 51 0 0 0 0 0 0 0 0999 V2000 -7.2005 2.7645 -0.8417 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6228 1.8082 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1245 1.4880 1.2257 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5804 0.5850 2.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4553 -0.0393 1.6785 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 0.2230 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4538 1.1531 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7004 1.2291 -1.4389 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6617 0.3834 -1.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 -0.2479 -0.1344 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9047 -1.2249 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7009 -0.6550 0.8403 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.0495 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6531 -0.8981 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 -1.3221 -0.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -1.1850 0.1342 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1097 -1.5436 1.6003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 -2.1542 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 0.5537 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4529 0.6451 0.0103 P 0 0 0 0 0 5 0 0 0 0 0 0 5.9826 -0.5898 0.6719 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0752 0.8569 -1.5474 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8915 1.9954 0.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2998 2.6768 0.2931 P 0 0 0 0 0 5 0 0 0 0 0 0 6.9204 3.4410 -0.9559 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3798 1.4588 -0.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 3.6557 1.4264 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 -2.5179 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -3.2379 0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5809 -2.3780 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7878 -2.1469 -1.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7325 3.6809 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0949 2.5884 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0475 0.3621 3.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 0.1767 -2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 -1.6594 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7956 -0.5751 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8294 0.1907 0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.4835 1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 -2.4298 -1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2486 0.9301 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 1.0983 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 0.0283 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 0.9515 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4478 4.2133 1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 -2.9548 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7518 -3.4414 1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0792 -3.3218 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9603 -2.0820 -2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 13 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 7 2 1 0 30 11 1 0 10 6 1 0 1 32 1 0 1 33 1 0 4 34 1 0 9 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 22 43 1 0 26 44 1 0 27 45 1 0 28 46 1 0 29 47 1 0 30 48 1 0 31 49 1 0 M END