@MOLECULE [(6r,9r)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate 65 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 6.1387 1.1032 -2.0124 F 1 UNL1 -0.1361 2 F 8.3245 2.4682 -1.3697 F 1 UNL1 -0.1403 3 O -0.1571 -0.8345 0.3471 O.3 1 UNL1 -0.4214 4 O -0.3963 -1.6395 2.4584 O.2 1 UNL1 -0.5504 5 O -3.5904 2.1932 0.7291 O.2 1 UNL1 -0.4836 6 N -1.9752 -2.1176 0.8355 N.am 1 UNL1 -0.4403 7 N -5.1613 0.5913 0.0188 N.ar 1 UNL1 -0.4693 8 N -5.7588 2.7879 0.0939 N.ar 1 UNL1 -0.5291 9 N 1.1420 -2.7818 -0.8131 N.ar 1 UNL1 -0.3705 10 N -8.0724 2.5436 -0.6875 N.ar 1 UNL1 -0.3691 11 C -4.3847 -0.6414 0.1570 C.3 1 UNL1 0.1356 12 C -3.9674 -0.8420 1.6289 C.3 1 UNL1 -0.3556 13 C -3.1367 -0.5835 -0.7468 C.3 1 UNL1 -0.3475 14 C -2.3371 -1.8830 -0.5715 C.3 1 UNL1 -0.0723 15 C -3.1261 -2.1241 1.7542 C.3 1 UNL1 -0.0708 16 C 4.1408 0.3031 -0.1010 C.3 1 UNL1 -0.0994 17 C 2.9207 1.1647 0.2832 C.3 1 UNL1 -0.2691 18 C 1.2560 -0.7236 0.5003 C.3 1 UNL1 0.1312 19 C 1.6042 0.5817 -0.2282 C.3 1 UNL1 -0.2947 20 C 4.1658 -1.0558 0.6385 C.3 1 UNL1 -0.2810 21 C 1.9271 -1.9096 -0.1580 C.ar 1 UNL1 0.1183 22 C 3.3255 -2.0609 -0.0760 C.ar 1 UNL1 -0.0822 23 C -0.8138 -1.5281 1.3278 C.2 1 UNL1 0.7190 24 C -6.4945 0.6698 -0.4021 C.ar 1 UNL1 0.0404 25 C 5.3951 1.0629 0.2322 C.ar 1 UNL1 -0.0301 26 C -4.6864 1.8877 0.3348 C.ar 1 UNL1 0.6833 27 C -6.8701 2.0678 -0.3544 C.ar 1 UNL1 0.2667 28 C 3.9012 -3.1700 -0.6943 C.ar 1 UNL1 -0.1014 29 C -7.4340 -0.2526 -0.8241 C.ar 1 UNL1 -0.1331 30 C 6.3221 1.4256 -0.7445 C.ar 1 UNL1 0.0880 31 C 5.6684 1.4349 1.5548 C.ar 1 UNL1 -0.1650 32 C 3.0899 -4.0829 -1.3654 C.ar 1 UNL1 -0.2381 33 C 1.7108 -3.8503 -1.4016 C.ar 1 UNL1 0.0480 34 C -8.6947 0.2457 -1.1749 C.ar 1 UNL1 -0.2314 35 C 7.4769 2.1432 -0.4097 C.ar 1 UNL1 0.1283 36 C 6.8173 2.1473 1.8854 C.ar 1 UNL1 -0.1331 37 C -8.9716 1.6164 -1.0948 C.ar 1 UNL1 0.0416 38 C 7.7384 2.5142 0.9038 C.ar 1 UNL1 -0.1952 39 H -5.0404 -1.4949 -0.1650 H 1 UNL1 0.1392 40 H -3.3833 0.0355 1.9813 H 1 UNL1 0.1839 41 H -4.8528 -0.8951 2.2857 H 1 UNL1 0.1556 42 H -3.4184 -0.4370 -1.8034 H 1 UNL1 0.1550 43 H -2.5044 0.2912 -0.4787 H 1 UNL1 0.1873 44 H -3.7376 -3.0244 1.5199 H 1 UNL1 0.1445 45 H -2.7613 -2.2494 2.8020 H 1 UNL1 0.1699 46 H -2.9247 -2.7630 -0.9168 H 1 UNL1 0.1403 47 H -1.4069 -1.8665 -1.1951 H 1 UNL1 0.1871 48 H 4.0789 0.0917 -1.1991 H 1 UNL1 0.1655 49 H 2.8753 1.3057 1.3803 H 1 UNL1 0.1476 50 H 3.0538 2.1830 -0.1389 H 1 UNL1 0.1521 51 H 1.5123 -0.6800 1.5887 H 1 UNL1 0.1669 52 H 1.6355 0.4180 -1.3224 H 1 UNL1 0.1594 53 H 0.7782 1.3102 -0.0687 H 1 UNL1 0.1729 54 H 3.8216 -0.9349 1.6872 H 1 UNL1 0.1613 55 H 5.2151 -1.4105 0.7235 H 1 UNL1 0.1578 56 H -5.7231 3.7800 0.2252 H 1 UNL1 0.3547 57 H 4.9798 -3.3223 -0.6574 H 1 UNL1 0.1603 58 H -7.2156 -1.3149 -0.8849 H 1 UNL1 0.1667 59 H 4.9643 1.1600 2.3416 H 1 UNL1 0.1667 60 H 3.5165 -4.9541 -1.8526 H 1 UNL1 0.1641 61 H 1.0212 -4.5296 -1.9140 H 1 UNL1 0.1687 62 H -9.4680 -0.4399 -1.5136 H 1 UNL1 0.1686 63 H 7.0019 2.4247 2.9235 H 1 UNL1 0.1599 64 H -9.9552 2.0186 -1.3651 H 1 UNL1 0.1770 65 H 8.6357 3.0746 1.1618 H 1 UNL1 0.1767 @BOND 1 1 30 1 2 61 33 1 3 60 32 1 4 42 13 1 5 62 34 1 6 33 32 ar 7 33 9 ar 8 2 35 1 9 32 28 ar 10 64 37 1 11 52 19 1 12 48 16 1 13 47 14 1 14 34 37 ar 15 34 29 ar 16 37 10 ar 17 46 14 1 18 58 29 1 19 29 24 ar 20 9 21 ar 21 13 14 1 22 13 43 1 23 13 11 1 24 30 35 ar 25 30 25 ar 26 28 57 1 27 28 22 ar 28 10 27 ar 29 14 6 1 30 35 38 ar 31 24 27 ar 32 24 7 ar 33 27 8 ar 34 19 53 1 35 19 17 1 36 19 18 1 37 39 11 1 38 21 22 ar 39 21 18 1 40 50 17 1 41 16 25 1 42 16 17 1 43 16 20 1 44 22 20 1 45 7 11 1 46 7 26 ar 47 8 56 1 48 8 26 ar 49 11 12 1 50 25 31 ar 51 17 49 1 52 26 5 2 53 3 18 1 54 3 23 1 55 18 51 1 56 20 55 1 57 20 54 1 58 6 23 am 59 6 15 1 60 38 65 1 61 38 36 ar 62 23 4 2 63 44 15 1 64 31 36 ar 65 31 59 1 66 12 15 1 67 12 40 1 68 12 41 1 69 15 45 1 70 36 63 1