HMDB0014913 RDKit 3D Tirofiban 66 67 0 0 0 0 0 0 0 0999 V2000 6.5494 1.2333 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 -0.0379 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1861 -1.1949 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0036 -1.9422 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0953 -2.7942 -0.5731 S 0 0 0 0 0 6 0 0 0 0 0 0 6.1387 -3.6333 -1.3558 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 -3.8780 0.1177 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 -1.9642 -1.6935 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 -1.2085 -1.3264 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2937 0.2800 -1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 1.0387 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 1.4837 -2.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 2.1562 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 2.4019 -0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4791 3.0612 -0.3721 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 3.3950 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 2.1769 1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5633 1.4397 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0386 0.2201 1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0242 -0.6103 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1932 0.2892 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4245 -0.4564 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5393 -1.7902 0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8704 -1.9166 1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3878 -1.8048 1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 1.9539 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 1.2665 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7979 -1.6755 -1.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 -2.6825 -2.7065 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5619 -1.1050 -1.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 1.9000 0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9487 1.0503 0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9636 1.7741 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 -0.3075 -1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1697 0.1655 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6976 -0.8245 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9928 -1.9456 -0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3604 -1.1980 1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3614 -2.6944 1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4102 -2.0688 -2.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -1.4136 -0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 0.5997 -2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 0.4920 -0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 1.3267 -3.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 2.5065 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 3.9538 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 4.0208 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 1.4937 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1659 2.5270 2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 2.0868 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9807 1.0749 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 0.5021 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -0.4035 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -0.8623 -0.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9015 0.9347 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3869 0.9761 1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5707 -0.4950 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2956 0.1441 0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5467 -2.0556 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0882 -2.9504 1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1557 -1.1524 2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8041 -1.8642 2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 -2.7016 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2591 2.1336 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2686 0.9620 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 -1.3887 -1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 2 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 14 26 1 0 26 27 2 0 9 28 1 0 28 29 2 0 28 30 1 0 27 11 1 0 25 20 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 8 40 1 0 9 41 1 1 10 42 1 0 10 43 1 0 12 44 1 0 13 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 23 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 25 63 1 0 26 64 1 0 27 65 1 0 30 66 1 0 M END