@MOLECULE n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,5-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide 46 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.7488 1.0910 -0.5176 S.O2 1 UNL1 2.3621 2 O -3.3550 -0.2018 -1.0369 O.2 1 UNL1 -0.9417 3 O -3.6187 2.2955 -1.2947 O.2 1 UNL1 -0.8977 4 N 0.5801 -0.1912 0.5916 N.ar 1 UNL1 -0.3144 5 N -0.0974 1.9580 0.8747 N.ar 1 UNL1 -0.3913 6 N -2.8668 1.3237 0.9752 N.3 1 UNL1 -0.8266 7 N 3.3783 2.8842 -0.0678 N.ar 1 UNL1 -0.3967 8 N 5.0721 1.2096 -0.5968 N.ar 1 UNL1 -0.3253 9 C -0.4368 -2.5161 1.0410 C.3 1 UNL1 -0.1263 10 C -0.2904 -3.2471 -1.1120 C.3 1 UNL1 -0.0779 11 C 0.6972 -1.6382 0.4270 C.3 1 UNL1 0.0675 12 C -1.4000 -2.7386 -0.1554 C.3 1 UNL1 -0.3068 13 C 0.6911 -2.0513 -1.0833 C.3 1 UNL1 -0.3079 14 C 0.1816 -3.9368 1.1824 C.3 1 UNL1 -0.2758 15 C 0.3291 -4.4103 -0.2913 C.3 1 UNL1 -0.2821 16 C 1.6764 0.6239 0.3175 C.ar 1 UNL1 0.0867 17 C -0.4839 0.6729 0.9176 C.ar 1 UNL1 0.1986 18 C 1.2350 1.9750 0.4958 C.ar 1 UNL1 -0.0560 19 C 3.0075 0.3915 -0.0533 C.ar 1 UNL1 -0.1454 20 C -1.8743 0.3028 1.3469 C.3 1 UNL1 -0.0680 21 C 3.7875 1.5861 -0.2277 C.ar 1 UNL1 0.2197 22 C 2.1172 3.0722 0.2897 C.ar 1 UNL1 0.1139 23 C 3.8707 -0.7080 -0.3269 C.ar 1 UNL1 -0.2230 24 C 5.1152 -0.1842 -0.6547 C.ar 1 UNL1 -0.0384 25 C -5.4281 0.9723 0.0497 C.3 1 UNL1 -0.7477 26 H -0.8701 -2.1280 1.9633 H 1 UNL1 0.1342 27 H -0.6202 -3.5281 -2.1158 H 1 UNL1 0.1383 28 H 1.6784 -1.9215 0.8993 H 1 UNL1 0.1543 29 H -1.9002 -1.8303 -0.5323 H 1 UNL1 0.1862 30 H -2.1865 -3.4720 0.0436 H 1 UNL1 0.1399 31 H 1.6943 -2.3105 -1.4432 H 1 UNL1 0.1488 32 H 0.3289 -1.2293 -1.7241 H 1 UNL1 0.1660 33 H -0.4900 -4.5965 1.7502 H 1 UNL1 0.1368 34 H 1.1400 -3.9299 1.7172 H 1 UNL1 0.1381 35 H 1.3768 -4.5918 -0.5633 H 1 UNL1 0.1378 36 H -0.2122 -5.3498 -0.4669 H 1 UNL1 0.1330 37 H -2.1762 -0.6994 0.9557 H 1 UNL1 0.1824 38 H -1.8896 0.2250 2.4681 H 1 UNL1 0.1652 39 H 1.7691 4.1043 0.4214 H 1 UNL1 0.1934 40 H 3.6070 -1.7421 -0.2854 H 1 UNL1 0.1643 41 H -2.4736 2.2698 1.0928 H 1 UNL1 0.3259 42 H 5.8185 1.8404 -0.7854 H 1 UNL1 0.3226 43 H 6.0179 -0.6995 -0.9224 H 1 UNL1 0.1659 44 H -6.0533 1.7714 -0.3706 H 1 UNL1 0.1884 45 H -5.8845 0.0171 -0.2415 H 1 UNL1 0.1880 46 H -5.5084 1.0452 1.1427 H 1 UNL1 0.1913 @BOND 1 27 10 1 2 32 13 1 3 31 13 1 4 3 1 2 5 10 13 1 6 10 15 1 7 10 12 1 8 13 11 1 9 2 1 2 10 43 24 1 11 42 8 1 12 24 8 ar 13 24 23 ar 14 8 21 ar 15 35 15 1 16 29 12 1 17 1 25 1 18 1 6 1 19 36 15 1 20 44 25 1 21 23 40 1 22 23 19 ar 23 15 14 1 24 45 25 1 25 21 7 ar 26 21 19 ar 27 12 30 1 28 12 9 1 29 7 22 ar 30 19 16 ar 31 25 46 1 32 22 39 1 33 22 18 ar 34 16 18 ar 35 16 4 ar 36 11 4 1 37 11 28 1 38 11 9 1 39 18 5 ar 40 4 17 ar 41 5 17 ar 42 17 20 1 43 37 20 1 44 6 41 1 45 6 20 1 46 9 14 1 47 9 26 1 48 14 34 1 49 14 33 1 50 20 38 1