HMDB0001003 RDKit 3D Adenosine phosphosulfate 41 43 0 0 0 0 0 0 0 0999 V2000 -6.4148 1.3203 -0.7136 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2198 1.2368 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9079 2.0540 1.0557 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 1.9388 1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 0.9850 1.4719 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 0.1240 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 0.2403 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3242 -0.7113 -1.2035 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1774 -1.4133 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 -0.9059 -0.0682 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1661 -1.4208 0.3346 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3290 -0.4431 0.8727 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 -1.0881 0.7827 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0404 -0.1739 1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 0.9240 0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2586 2.0279 0.7334 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9365 2.5063 -0.5268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 3.3808 1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 1.3685 1.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 0.9164 0.8273 S 0 0 0 0 0 6 0 0 0 0 0 0 6.2127 2.1100 0.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 0.5086 1.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 -0.2728 -0.2464 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9644 -1.4138 -0.6931 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9158 -2.3499 -1.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4585 -1.9475 -0.8976 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4539 -3.3334 -0.9562 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4078 1.6928 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3293 1.0131 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 2.6686 2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -2.2712 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2341 -2.2399 1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 -2.0449 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 0.0855 2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 -0.7624 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 4.1830 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9671 -1.0035 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0652 -0.4842 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 -1.8650 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -1.5233 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4712 -3.6167 -1.1988 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 2 0 20 23 1 0 13 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 7 2 1 0 26 11 1 0 10 6 1 0 1 28 1 0 1 29 1 0 4 30 1 0 9 31 1 0 11 32 1 1 13 33 1 1 14 34 1 0 14 35 1 0 18 36 1 0 23 37 1 0 24 38 1 6 25 39 1 0 26 40 1 6 27 41 1 0 M END