@MOLECULE (4r,5r)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)-2-piperidinone 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.9074 -0.4583 -0.7236 C.3 1 UNL1111111111 -0.0548 2 C 2.5946 -0.2226 0.6398 C.3 1 UNL1111111111 -0.3191 3 C 4.0771 -0.2738 0.4505 C.ar 1 UNL1111111111 0.0113 4 C 4.7461 -1.4906 0.5539 C.ar 1 UNL1111111111 -0.1720 5 C 6.7959 -0.4243 0.0777 C.ar 1 UNL1111111111 0.1140 6 C 4.7620 0.9235 0.1501 C.ar 1 UNL1111111111 -0.2198 7 C -3.7520 0.0345 0.2605 C.ar 1 UNL1111111111 -0.0686 8 C -4.4060 -0.2145 -0.9518 C.ar 1 UNL1111111111 -0.1681 9 C -5.7938 -0.1628 -1.0103 C.ar 1 UNL1111111111 0.0966 10 C -6.5550 0.1288 0.1292 C.ar 1 UNL1111111111 0.1494 11 C -5.9365 0.3750 1.3485 C.ar 1 UNL1111111111 -0.2425 12 N -2.0615 2.3997 -0.4605 N.3 1 UNL1111111111 -0.6507 13 C -1.6275 1.0113 -0.6669 C.3 1 UNL1111111111 0.0393 14 C -0.0887 0.9876 -0.4867 C.3 1 UNL1111111111 -0.0919 15 N 0.4426 -0.3716 -0.6331 N.am 1 UNL1111111111 -0.5017 16 C 6.1374 -1.5935 0.3685 C.ar 1 UNL1111111111 -0.1707 17 O 8.1394 -0.2468 -0.1477 O.3 1 UNL1111111111 -0.3427 18 C 8.2971 1.1649 -0.4109 C.3 1 UNL1111111111 0.1586 19 O 7.0081 1.8144 -0.3269 O.3 1 UNL1111111111 -0.3463 20 C 6.1180 0.8128 -0.0295 C.ar 1 UNL1111111111 0.1401 21 C -0.2375 -1.4790 -0.1452 C.2 1 UNL1111111111 0.5787 22 O 0.3584 -2.5216 0.0439 O.2 1 UNL1111111111 -0.5339 23 C -1.7410 -1.4080 0.0044 C.3 1 UNL1111111111 -0.3622 24 C -2.2550 -0.0040 0.3331 C.3 1 UNL1111111111 -0.1603 25 F -6.4146 -0.3869 -2.1540 F 1 UNL1111111111 -0.1247 26 F -7.8698 0.1697 0.0339 F 1 UNL1111111111 -0.1213 27 C -4.5413 0.3215 1.3802 C.ar 1 UNL1111111111 0.1748 28 F -3.9558 0.5665 2.5412 F 1 UNL1111111111 -0.1525 29 H 2.2663 0.2784 -1.4756 H 1 UNL1111111111 0.1442 30 H 2.1808 -1.4723 -1.1088 H 1 UNL1111111111 0.1719 31 H 2.2800 0.7446 1.0756 H 1 UNL1111111111 0.1500 32 H 2.2542 -0.9961 1.3617 H 1 UNL1111111111 0.1717 33 H 4.1824 -2.3967 0.7823 H 1 UNL1111111111 0.1705 34 H 4.2434 1.8717 0.0688 H 1 UNL1111111111 0.1736 35 H -3.8291 -0.4490 -1.8505 H 1 UNL1111111111 0.1873 36 H -6.5176 0.5996 2.2462 H 1 UNL1111111111 0.2030 37 H -1.9844 2.6980 0.4981 H 1 UNL1111111111 0.2563 38 H -3.0029 2.5597 -0.7807 H 1 UNL1111111111 0.2616 39 H -1.8800 0.7171 -1.7178 H 1 UNL1111111111 0.1567 40 H 0.3730 1.6427 -1.2649 H 1 UNL1111111111 0.1664 41 H 0.1913 1.4218 0.4997 H 1 UNL1111111111 0.1356 42 H 6.6523 -2.5450 0.4521 H 1 UNL1111111111 0.1746 43 H 8.9357 1.5848 0.3785 H 1 UNL1111111111 0.1422 44 H 8.6609 1.2756 -1.4418 H 1 UNL1111111111 0.1412 45 H -2.1939 -1.8005 -0.9319 H 1 UNL1111111111 0.1798 46 H -2.0536 -2.1289 0.7935 H 1 UNL1111111111 0.1881 47 H -1.8922 0.2629 1.3585 H 1 UNL1111111111 0.1660 @BOND 1 1 2 1 2 1 15 1 3 1 29 1 4 1 30 1 5 2 3 1 6 2 31 1 7 2 32 1 8 3 6 ar 9 3 4 ar 10 4 16 ar 11 4 33 1 12 5 20 ar 13 5 17 1 14 5 16 ar 15 6 20 ar 16 6 34 1 17 7 27 ar 18 7 24 1 19 7 8 ar 20 8 9 ar 21 8 35 1 22 9 10 ar 23 9 25 1 24 10 11 ar 25 10 26 1 26 11 27 ar 27 11 36 1 28 12 13 1 29 12 37 1 30 12 38 1 31 13 24 1 32 13 14 1 33 13 39 1 34 14 15 1 35 14 40 1 36 14 41 1 37 15 21 am 38 16 42 1 39 17 18 1 40 18 19 1 41 18 43 1 42 18 44 1 43 19 20 1 44 21 22 2 45 21 23 1 46 23 24 1 47 23 45 1 48 23 46 1 49 24 47 1 50 27 28 1