HMDB0015390 RDKit 3D Sitagliptin 43 45 0 0 0 0 0 0 0 0999 V2000 -2.3704 -1.6060 -1.6504 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -1.7483 -0.2997 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7639 -0.9281 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 -1.2413 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3841 -2.0438 -1.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6692 -0.6150 -0.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 -0.8831 -1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 -0.5857 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 0.7714 0.2996 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 1.1716 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 2.4495 1.1429 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 2.8131 0.9372 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8938 1.7530 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3257 1.7901 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4851 2.8151 -0.8674 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8101 0.6229 -0.4496 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 2.1349 1.1807 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 0.2913 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 -1.7351 0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8055 -0.4781 0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9969 -0.4737 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7617 0.6511 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 0.6134 -0.9813 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4147 1.8416 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1940 2.9539 0.2318 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2569 1.8445 1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 0.7052 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 0.7674 2.0316 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 -0.6393 -2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0059 -2.3340 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5415 -2.8566 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -1.0337 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 0.1684 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 -1.9712 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 -0.3083 -2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0084 -0.7903 -0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 -1.2877 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 -0.3492 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 0.8651 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7041 -2.6191 0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 -1.8360 1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2566 -1.4240 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9737 2.7639 1.5840 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 10 18 1 0 2 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 18 6 1 0 27 20 1 0 13 9 1 0 1 29 1 0 1 30 1 0 2 31 1 6 3 32 1 0 3 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 21 42 1 0 26 43 1 0 M END