@MOLECULE gemigliptin 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.2771 2.9795 -0.2343 F 1 UNL1111111111 -0.2117 2 F -2.6265 1.4532 -1.4950 F 1 UNL1111111111 -0.2063 3 F 4.7652 -1.0530 0.9120 F 1 UNL1111111111 -0.1847 4 F 5.2486 -0.1318 -0.9337 F 1 UNL1111111111 -0.1871 5 F 5.1293 1.0215 0.8315 F 1 UNL1111111111 -0.1425 6 F -0.1337 3.5819 -0.5576 F 1 UNL1111111111 -0.1581 7 F 0.1537 3.1071 1.4888 F 1 UNL1111111111 -0.1781 8 F 1.6907 4.0662 0.3893 F 1 UNL1111111111 -0.1549 9 O -4.5406 -2.2207 0.1951 O.2 1 UNL1111111111 -0.5541 10 O 0.5476 -4.2162 0.2850 O.2 1 UNL1111111111 -0.5148 11 N -3.2668 -0.4967 0.8418 N.am 1 UNL1111111111 -0.5031 12 N 0.2794 -2.6871 -1.3598 N.am 1 UNL1111111111 -0.4809 13 N -0.6209 -2.4058 2.6779 N.3 1 UNL1111111111 -0.6425 14 N 0.4346 0.8634 -0.6104 N.ar 1 UNL1111111111 -0.3779 15 N 2.6010 1.4797 0.1790 N.ar 1 UNL1111111111 -0.3183 16 C -1.3041 -1.8982 1.4731 C.3 1 UNL1111111111 0.0467 17 C -2.6757 -1.3123 1.9089 C.3 1 UNL1111111111 -0.0814 18 C -2.8476 0.9043 0.8135 C.3 1 UNL1111111111 -0.1318 19 C -3.4060 1.6547 -0.4221 C.3 1 UNL1111111111 0.3999 20 C -1.4902 -2.9863 0.3905 C.3 1 UNL1111111111 -0.4325 21 C -4.8600 1.2920 -0.7388 C.3 1 UNL1111111111 -0.3407 22 C 1.6660 -2.9468 -1.7797 C.3 1 UNL1111111111 -0.0712 23 C -4.9435 -0.2045 -0.9967 C.3 1 UNL1111111111 -0.3462 24 C -0.0946 -1.2923 -1.5860 C.3 1 UNL1111111111 -0.0946 25 C 2.6786 -2.1402 -0.9367 C.3 1 UNL1111111111 -0.3255 26 C -4.2603 -1.0430 0.0568 C.2 1 UNL1111111111 0.5865 27 C -0.1507 -3.3447 -0.1879 C.2 1 UNL1111111111 0.5823 28 C 2.2356 -0.7461 -0.6753 C.ar 1 UNL1111111111 -0.0478 29 C 0.8933 -0.3542 -0.9291 C.ar 1 UNL1111111111 0.1643 30 C 3.0549 0.2443 -0.1205 C.ar 1 UNL1111111111 0.0636 31 C 1.3091 1.7419 -0.0667 C.ar 1 UNL1111111111 0.2127 32 C 4.5331 0.0338 0.1782 C.3 1 UNL1111111111 0.5350 33 C 0.7639 3.1200 0.3058 C.3 1 UNL1111111111 0.5418 34 H -0.6705 -1.0653 1.0690 H 1 UNL1111111111 0.1437 35 H -2.5332 -0.6964 2.8282 H 1 UNL1111111111 0.1621 36 H -3.3764 -2.1387 2.1814 H 1 UNL1111111111 0.1733 37 H -3.1864 1.4181 1.7472 H 1 UNL1111111111 0.1635 38 H -1.7270 0.9514 0.8199 H 1 UNL1111111111 0.1843 39 H -2.2193 -2.6692 -0.3828 H 1 UNL1111111111 0.1969 40 H -1.9600 -3.8947 0.8293 H 1 UNL1111111111 0.1961 41 H -5.2415 1.8611 -1.6131 H 1 UNL1111111111 0.1767 42 H -5.5172 1.5861 0.1059 H 1 UNL1111111111 0.1713 43 H 1.7603 -2.6959 -2.8595 H 1 UNL1111111111 0.1514 44 H 1.8766 -4.0406 -1.6842 H 1 UNL1111111111 0.1817 45 H -4.5097 -0.4676 -1.9887 H 1 UNL1111111111 0.1861 46 H -6.0067 -0.5303 -1.0656 H 1 UNL1111111111 0.1844 47 H -1.1397 -1.0858 -1.2445 H 1 UNL1111111111 0.1926 48 H -0.1144 -1.0921 -2.6907 H 1 UNL1111111111 0.1874 49 H 3.6701 -2.1815 -1.4355 H 1 UNL1111111111 0.1827 50 H 2.8206 -2.6729 0.0391 H 1 UNL1111111111 0.1984 51 H -1.1883 -3.0652 3.1909 H 1 UNL1111111111 0.2554 52 H 0.2446 -2.8702 2.4328 H 1 UNL1111111111 0.2660 @BOND 1 1 19 1 2 2 19 1 3 3 32 1 4 4 32 1 5 5 32 1 6 6 33 1 7 7 33 1 8 8 33 1 9 9 26 2 10 10 27 2 11 11 17 1 12 11 18 1 13 11 26 am 14 12 22 1 15 12 24 1 16 12 27 am 17 13 16 1 18 13 51 1 19 13 52 1 20 14 29 ar 21 14 31 ar 22 15 30 ar 23 15 31 ar 24 16 17 1 25 16 20 1 26 16 34 1 27 17 35 1 28 17 36 1 29 18 19 1 30 18 37 1 31 18 38 1 32 19 21 1 33 20 27 1 34 20 39 1 35 20 40 1 36 21 23 1 37 21 41 1 38 21 42 1 39 22 25 1 40 22 43 1 41 22 44 1 42 23 26 1 43 23 45 1 44 23 46 1 45 24 29 1 46 24 47 1 47 24 48 1 48 25 28 1 49 25 49 1 50 25 50 1 51 28 29 ar 52 28 30 ar 53 30 32 1 54 31 33 1