@MOLECULE (1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol 38 41 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.3320 -2.8149 -0.7621 C.3 1 UNL111111111 -0.9860 2 C 1.1369 -2.0771 -0.2989 C.ar 1 UNL111111111 0.5511 3 N 0.2249 -2.6550 0.4820 N.ar 1 UNL111111111 -0.5042 4 C -0.8568 -1.7858 0.5618 C.ar 1 UNL111111111 0.0595 5 C -2.0777 -1.9676 1.2312 C.ar 1 UNL111111111 -0.0125 6 N -3.0760 -1.0879 1.0924 N.ar 1 UNL111111111 -0.4556 7 C -2.8631 -0.0476 0.2615 C.ar 1 UNL111111111 0.5716 8 C -1.6554 0.2492 -0.4485 C.ar 1 UNL111111111 -0.1376 9 C -0.5878 -0.6147 -0.2491 C.ar 1 UNL111111111 -0.0800 10 N 0.7212 -0.7839 -0.7347 N.ar 1 UNL111111111 -0.1826 11 C 1.6100 0.2838 -1.2363 C.3 1 UNL111111111 -0.1332 12 C 3.0991 0.0947 -0.8480 C.3 1 UNL111111111 -0.4627 13 C 3.3044 0.1481 0.6711 C.3 1 UNL111111111 -0.2447 14 C 2.8418 1.4930 1.2398 C.3 1 UNL111111111 -0.4865 15 C 1.3932 1.7667 0.8115 C.3 1 UNL111111111 0.1321 16 C 1.2455 1.6840 -0.7141 C.3 1 UNL111111111 -0.1415 17 O 1.0484 3.1097 1.1085 O.3 1 UNL111111111 -0.4860 18 C -1.9560 1.4320 -1.3170 C.3 1 UNL111111111 -0.7179 19 C -3.4098 1.7156 -0.9462 C.2 1 UNL111111111 0.1618 20 N -3.8927 0.8952 -0.0600 N.2 1 UNL111111111 -0.4534 21 H 3.2232 -2.6025 -0.1505 H 1 UNL111111111 0.3032 22 H 2.1564 -3.9070 -0.6708 H 1 UNL111111111 0.3188 23 H 2.5637 -2.6190 -1.8192 H 1 UNL111111111 0.3063 24 H -2.2549 -2.8388 1.8741 H 1 UNL111111111 0.2622 25 H 1.5132 0.2637 -2.3577 H 1 UNL111111111 0.1967 26 H 3.5239 -0.8245 -1.2778 H 1 UNL111111111 0.1892 27 H 3.6816 0.9112 -1.3259 H 1 UNL111111111 0.2256 28 H 2.7527 -0.6758 1.1669 H 1 UNL111111111 0.1843 29 H 4.3709 -0.0177 0.9139 H 1 UNL111111111 0.1502 30 H 2.9263 1.4960 2.3412 H 1 UNL111111111 0.1781 31 H 3.4942 2.3137 0.8850 H 1 UNL111111111 0.2017 32 H 0.6735 1.0963 1.3309 H 1 UNL111111111 0.1102 33 H 1.9099 2.4402 -1.1848 H 1 UNL111111111 0.1765 34 H 0.2349 2.0035 -1.0118 H 1 UNL111111111 0.0787 35 H 1.0345 3.2607 2.0718 H 1 UNL111111111 0.3101 36 H -1.3220 2.3183 -1.0939 H 1 UNL111111111 0.3168 37 H -3.9690 2.5310 -1.3819 H 1 UNL111111111 0.1904 38 H -1.8373 1.2070 -2.3931 H 1 UNL111111111 0.3093 @BOND 1 1 2 1 2 1 21 1 3 1 22 1 4 1 23 1 5 2 10 ar 6 3 2 ar 7 3 4 ar 8 4 9 ar 9 5 4 ar 10 5 6 ar 11 5 24 1 12 6 7 ar 13 7 8 ar 14 7 20 1 15 8 18 1 16 9 8 ar 17 10 9 ar 18 10 11 1 19 11 16 1 20 11 25 1 21 12 13 1 22 12 11 1 23 12 26 1 24 12 27 1 25 13 14 1 26 13 28 1 27 13 29 1 28 14 15 1 29 14 30 1 30 14 31 1 31 15 17 1 32 15 32 1 33 16 15 1 34 16 33 1 35 16 34 1 36 17 35 1 37 18 19 1 38 18 36 1 39 18 38 1 40 19 37 1 41 20 19 2