HMDB0060638 RDKit 3D Gemcitabine triphosphate 44 45 0 0 0 0 0 0 0 0999 V2000 -7.6208 -0.0202 1.3137 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2645 0.2006 0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1815 -0.1288 1.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9186 0.0134 1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 0.4680 -0.1415 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4422 0.4338 -0.6688 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5467 1.4146 -0.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 0.5872 -1.0039 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9327 1.0868 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 -0.1674 -0.7428 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 0.0296 0.7740 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9775 -1.2032 1.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 1.3390 1.5556 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 0.1959 0.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9301 -0.7786 -0.1403 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1806 -0.0382 -1.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2673 -2.3035 -0.3806 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4418 -1.0051 0.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1976 0.4976 0.8826 P 0 0 0 0 0 5 0 0 0 0 0 0 8.2023 0.6461 -0.2495 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0397 0.4781 2.3375 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1048 1.7717 0.9323 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -0.5378 -1.9509 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4708 -1.7872 -1.4514 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2908 -0.4294 -1.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 -1.5910 -1.7096 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 0.1793 -3.0866 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 0.7796 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5947 1.2155 -2.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0201 0.6436 -0.3585 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2688 0.7380 1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9202 -1.0750 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3622 -0.4878 2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0405 -0.2432 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 -0.2765 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 0.0396 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3477 1.3587 -1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 1.7955 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 2.1433 1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -2.2499 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3701 0.3077 3.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6584 1.9453 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -0.3696 -2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1369 -2.0136 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 11 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 15 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 19 22 1 0 8 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 5 28 1 0 28 29 2 0 28 30 1 0 30 2 2 0 25 6 1 0 1 31 1 0 1 32 1 0 3 33 1 0 4 34 1 0 6 35 1 1 8 36 1 1 9 37 1 0 9 38 1 0 13 39 1 0 17 40 1 0 21 41 1 0 22 42 1 0 23 43 1 6 24 44 1 0 M END