@MOLECULE 1-(7h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 N -5.8185 0.8327 2.0818 N.ar 1 UNL1111 -0.4973 2 C -5.0327 -0.2139 2.4026 C.ar 1 UNL1111 0.2955 3 N -4.2065 -0.8891 1.5681 N.ar 1 UNL1111 -0.5850 4 C -4.1174 -0.5498 0.2438 C.ar 1 UNL1111 0.4489 5 N -3.3909 -1.3807 -0.5693 N.pl3 1 UNL1111 -0.3571 6 C -2.8372 -0.8878 -1.8424 C.3 1 UNL1111 -0.0928 7 C -1.4234 -0.3162 -1.6466 C.3 1 UNL1111 -0.2904 8 C -0.5070 -1.3727 -1.0117 C.3 1 UNL1111 -0.1863 9 C 0.8483 -0.7424 -0.7207 C.2 1 UNL1111 0.5730 10 O 1.0523 0.4456 -0.7266 O.2 1 UNL1111 -0.4751 11 N 1.8617 -1.6692 -0.4383 N.am 1 UNL1111 -0.5873 12 C 3.1892 -1.3502 -0.0854 C.ar 1 UNL1111 0.2215 13 C 3.7013 -0.0461 -0.1194 C.ar 1 UNL1111 -0.1728 14 C 5.0291 0.1700 0.2414 C.ar 1 UNL1111 -0.0836 15 C 5.5422 1.5839 0.1923 C.3 1 UNL1111 0.5449 16 F 6.8320 1.7397 0.4905 F 1 UNL1111 -0.2043 17 F 5.4172 2.1564 -1.0057 F 1 UNL1111 -0.1976 18 F 4.9131 2.4087 1.0297 F 1 UNL1111 -0.1946 19 C 5.8562 -0.8775 0.6355 C.ar 1 UNL1111 -0.1495 20 C 5.3401 -2.1734 0.6651 C.ar 1 UNL1111 -0.1045 21 C 4.0203 -2.4172 0.3097 C.ar 1 UNL1111 -0.2307 22 C -1.1182 -1.8793 0.3036 C.3 1 UNL1111 -0.3038 23 C -2.5375 -2.4157 0.0464 C.3 1 UNL1111 -0.0729 24 C -4.8893 0.5617 -0.2032 C.ar 1 UNL1111 -0.1833 25 N -5.0563 1.2181 -1.4216 N.ar 1 UNL1111 -0.3428 26 C -5.9343 2.1962 -1.2173 C.ar 1 UNL1111 0.1266 27 N -6.3841 2.2286 0.1247 N.ar 1 UNL1111 -0.4005 28 C -5.7264 1.1988 0.7797 C.ar 1 UNL1111 0.2794 29 H -5.0529 -0.5574 3.4523 H 1 UNL1111 0.2027 30 H -2.8263 -1.7447 -2.5545 H 1 UNL1111 0.1480 31 H -3.5068 -0.1215 -2.3021 H 1 UNL1111 0.1934 32 H -1.0140 0.0308 -2.6141 H 1 UNL1111 0.1608 33 H -1.4609 0.5940 -1.0098 H 1 UNL1111 0.1781 34 H -0.3859 -2.2228 -1.7257 H 1 UNL1111 0.1535 35 H 1.6281 -2.6570 -0.4372 H 1 UNL1111 0.3100 36 H 3.0657 0.7947 -0.4239 H 1 UNL1111 0.2157 37 H 6.8945 -0.7124 0.9217 H 1 UNL1111 0.1720 38 H 5.9799 -3.0018 0.9713 H 1 UNL1111 0.1563 39 H 3.6334 -3.4328 0.3407 H 1 UNL1111 0.1550 40 H -0.4983 -2.6666 0.7649 H 1 UNL1111 0.1416 41 H -1.1648 -1.0569 1.0504 H 1 UNL1111 0.1766 42 H -2.9935 -2.7770 1.0006 H 1 UNL1111 0.1826 43 H -2.5172 -3.2867 -0.6457 H 1 UNL1111 0.1415 44 H -6.2868 2.8975 -1.9581 H 1 UNL1111 0.1979 45 H -7.0336 2.8596 0.5430 H 1 UNL1111 0.3368 @BOND 1 1 2 ar 2 2 29 1 3 3 2 ar 4 4 3 ar 5 5 23 1 6 5 4 1 7 6 5 1 8 6 30 1 9 6 31 1 10 7 8 1 11 7 6 1 12 7 32 1 13 7 33 1 14 8 22 1 15 8 34 1 16 9 11 am 17 9 8 1 18 10 9 2 19 11 35 1 20 12 21 ar 21 12 11 1 22 13 12 ar 23 13 36 1 24 14 19 ar 25 14 13 ar 26 15 14 1 27 15 16 1 28 17 15 1 29 18 15 1 30 19 20 ar 31 19 37 1 32 20 21 ar 33 20 38 1 34 21 39 1 35 22 23 1 36 22 40 1 37 22 41 1 38 23 42 1 39 23 43 1 40 24 4 ar 41 24 28 ar 42 25 26 ar 43 25 24 ar 44 26 27 ar 45 26 44 1 46 27 28 ar 47 27 45 1 48 28 1 ar