HMDB0001155 RDKit 3D Diadenosine triphosphate 76 81 0 0 0 0 0 0 0 0999 V2000 -9.9012 -4.0525 0.8323 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9066 -2.7113 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9327 -2.3399 -0.4341 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9742 -1.0773 -0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0275 -0.1797 -0.5663 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0169 -0.5245 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9332 -1.8043 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8268 -1.8529 1.4635 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2456 -0.6416 1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9575 0.2022 0.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6752 1.6083 0.3892 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4386 1.9320 0.8759 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5059 1.8850 -0.1194 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2849 1.1059 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7491 1.7475 1.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 0.9083 1.9410 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2605 1.8461 2.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 -0.0018 3.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 -0.1185 0.7205 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 0.5319 -0.0874 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9812 0.7877 -1.5324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0126 1.9808 0.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 -0.6155 -0.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -0.3467 1.0017 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8328 -1.4186 2.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 1.1465 1.7758 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -0.3797 0.2608 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 0.9148 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1578 0.8940 -0.6430 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1031 0.2847 0.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1912 0.1669 -0.6891 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1618 -0.8010 -0.2085 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 -2.0615 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0950 -2.6292 0.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0944 -1.7262 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4606 -1.7745 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0397 -2.9696 1.1394 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1850 -0.6728 0.3889 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5843 0.4486 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2603 0.5034 -0.3139 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4808 -0.5821 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6563 -0.2713 -2.0212 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0663 0.5589 -3.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1556 -0.0617 -1.8396 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5935 0.5127 -2.9536 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1586 1.2950 -1.3459 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6621 1.8096 -2.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6109 1.7359 -1.1185 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7475 3.0633 -1.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7896 -4.4527 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0499 -4.6490 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8187 -0.8223 -1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3301 -0.3629 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4799 2.2406 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1736 2.9078 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4773 0.0459 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4951 1.1767 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4855 0.4763 4.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 2.6924 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2996 1.1318 2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0766 1.4670 -0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 1.4619 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4859 1.8843 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6323 1.1654 -0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9287 -2.5031 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5074 -3.6545 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9958 -3.1695 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1737 1.3211 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9001 -1.3291 -2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 1.3101 -2.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -1.0383 -1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 0.4031 -2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1018 0.1981 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 1.1715 -3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3106 1.0675 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3372 3.6048 -0.7632 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 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 31 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 13 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 7 2 1 0 48 11 1 0 10 6 1 0 44 29 1 0 41 32 1 0 41 35 1 0 1 50 1 0 1 51 1 0 4 52 1 0 9 53 1 0 11 54 1 1 13 55 1 6 14 56 1 0 14 57 1 0 18 58 1 0 22 59 1 0 26 60 1 0 28 61 1 0 28 62 1 0 29 63 1 6 31 64 1 6 33 65 1 0 37 66 1 0 37 67 1 0 39 68 1 0 42 69 1 6 43 70 1 0 44 71 1 1 45 72 1 0 46 73 1 6 47 74 1 0 48 75 1 6 49 76 1 0 M END