@MOLECULE [(3s,4r)-3-amino-4-hydroxy-1-piperidinyl]{2-[1-(cyclopropylmethyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1h-benzimidazol-5-yl}methanone 65 70 0 0 0 SMALL GASTEIGER @ATOM 1 C -8.0326 0.2230 0.4909 C.ar 1 UNL1111 -0.2869 2 C -7.1421 -0.8236 0.6282 C.ar 1 UNL1111 -0.0393 3 C -4.5615 -1.2831 0.6396 C.ar 1 UNL1111 -0.2137 4 C 1.3380 -0.3081 1.4535 C.ar 1 UNL1111 -0.1518 5 C 2.2460 -1.9264 -0.1548 C.ar 1 UNL1111 -0.2872 6 C -7.5579 1.5476 0.2799 C.ar 1 UNL1111 0.0815 7 C -5.7732 -0.5380 0.5506 C.ar 1 UNL1111 -0.1342 8 C 2.3989 -0.9665 0.8751 C.ar 1 UNL1111 -0.0638 9 C 0.0547 -0.5916 0.9521 C.ar 1 UNL1111 0.1078 10 C -0.1250 -1.5456 -0.1069 C.ar 1 UNL1111 -0.0540 11 C 0.9909 -2.2236 -0.6436 C.ar 1 UNL1111 0.2332 12 C -3.5123 -0.3812 0.4848 C.ar 1 UNL1111 0.0705 13 C -5.3972 0.8383 0.3377 C.ar 1 UNL1111 0.2331 14 C -2.0913 -0.6520 0.4938 C.ar 1 UNL1111 0.2442 15 C 3.7946 -0.7072 1.3391 C.2 1 UNL1111 0.5664 16 C -1.7125 3.2404 -1.6897 C.3 1 UNL1111 -0.3101 17 C -1.4287 1.7620 -1.7729 C.3 1 UNL1111 -0.3198 18 C 4.5019 1.1627 -1.2555 C.3 1 UNL1111 -0.3723 19 C 3.7821 1.4410 0.0785 C.3 1 UNL1111 -0.0597 20 C 5.7356 0.7892 1.3946 C.3 1 UNL1111 -0.0832 21 C -2.7997 2.2448 -1.3477 C.3 1 UNL1111 -0.1737 22 C 6.5691 0.5175 0.1121 C.3 1 UNL1111 -0.0014 23 C 6.0128 1.3427 -1.0858 C.3 1 UNL1111 0.0923 24 C -2.1317 -2.3826 -1.3846 C.3 1 UNL1111 -0.2388 25 C 1.7518 -3.9241 -2.0971 C.3 1 UNL1111 -0.1965 26 C -3.2313 2.1257 0.1013 C.3 1 UNL1111 -0.0770 27 N -6.2691 1.8742 0.2015 N.ar 1 UNL1111 -0.3938 28 N -1.1806 -0.0624 1.2953 N.ar 1 UNL1111 -0.3939 29 N -1.4868 -1.5648 -0.3789 N.ar 1 UNL1111 -0.2383 30 N -4.0146 0.9148 0.3110 N.ar 1 UNL1111 -0.2343 31 N 4.3030 0.5795 1.1474 N.am 1 UNL1111 -0.4786 32 N 7.9717 0.8439 0.4138 N.3 1 UNL1111 -0.6299 33 O 4.4463 -1.5463 1.9237 O.2 1 UNL1111 -0.4984 34 O 6.3305 2.6858 -0.7618 O.3 1 UNL1111 -0.5713 35 O 0.6837 -3.1097 -1.6262 O.3 1 UNL1111 -0.3213 36 H -9.1034 0.0543 0.5442 H 1 UNL1111 0.1646 37 H -7.4802 -1.8446 0.7953 H 1 UNL1111 0.1580 38 H -4.4819 -2.3345 0.8203 H 1 UNL1111 0.1773 39 H 1.4591 0.4083 2.2658 H 1 UNL1111 0.1911 40 H 3.1335 -2.4324 -0.5263 H 1 UNL1111 0.1767 41 H -8.2664 2.3783 0.1717 H 1 UNL1111 0.1689 42 H -1.2522 3.8313 -0.9024 H 1 UNL1111 0.1594 43 H -1.7954 3.8299 -2.5979 H 1 UNL1111 0.1546 44 H -1.3045 1.2838 -2.7390 H 1 UNL1111 0.1532 45 H -0.7653 1.3015 -1.0431 H 1 UNL1111 0.1684 46 H 4.2783 0.1352 -1.6013 H 1 UNL1111 0.1598 47 H 4.1129 1.8345 -2.0410 H 1 UNL1111 0.1494 48 H 3.9460 2.5021 0.3838 H 1 UNL1111 0.1537 49 H 2.6836 1.3072 -0.0319 H 1 UNL1111 0.1561 50 H 6.0876 0.1211 2.2169 H 1 UNL1111 0.1827 51 H 5.8860 1.8371 1.7380 H 1 UNL1111 0.1559 52 H -3.6363 2.1210 -2.0462 H 1 UNL1111 0.1677 53 H 6.5049 -0.5720 -0.1409 H 1 UNL1111 0.1529 54 H 6.5565 1.0922 -2.0225 H 1 UNL1111 0.1114 55 H -2.2036 -3.4353 -1.0464 H 1 UNL1111 0.1657 56 H -3.1522 -2.0106 -1.6016 H 1 UNL1111 0.1725 57 H -1.5500 -2.3720 -2.3278 H 1 UNL1111 0.1691 58 H 2.2014 -4.4958 -1.2774 H 1 UNL1111 0.1454 59 H 1.2405 -4.5961 -2.7984 H 1 UNL1111 0.1495 60 H 2.4976 -3.3168 -2.6192 H 1 UNL1111 0.1357 61 H -2.3519 2.1167 0.7961 H 1 UNL1111 0.1859 62 H -3.8596 3.0111 0.3817 H 1 UNL1111 0.1794 63 H 8.5862 0.6001 -0.3459 H 1 UNL1111 0.2473 64 H 8.0839 1.8298 0.6097 H 1 UNL1111 0.2629 65 H 5.9109 3.3063 -1.3850 H 1 UNL1111 0.3190 @BOND 1 1 36 1 2 2 1 ar 3 2 37 1 4 3 7 ar 5 3 38 1 6 4 9 ar 7 4 39 1 8 5 11 ar 9 5 40 1 10 6 1 ar 11 6 41 1 12 7 2 ar 13 8 5 ar 14 8 4 ar 15 9 10 ar 16 9 28 ar 17 10 29 ar 18 11 35 1 19 11 10 ar 20 12 3 ar 21 13 27 ar 22 13 7 ar 23 14 12 1 24 15 33 2 25 15 8 1 26 16 21 1 27 16 17 1 28 16 42 1 29 16 43 1 30 17 44 1 31 17 45 1 32 18 19 1 33 18 46 1 34 18 47 1 35 19 48 1 36 19 49 1 37 20 31 1 38 20 50 1 39 20 51 1 40 21 26 1 41 21 17 1 42 21 52 1 43 22 20 1 44 22 53 1 45 23 22 1 46 23 18 1 47 23 54 1 48 24 55 1 49 24 56 1 50 24 57 1 51 25 35 1 52 25 58 1 53 25 59 1 54 25 60 1 55 26 30 1 56 26 61 1 57 26 62 1 58 27 6 ar 59 28 14 ar 60 29 14 ar 61 29 24 1 62 30 12 ar 63 30 13 ar 64 31 19 1 65 31 15 am 66 32 22 1 67 32 63 1 68 32 64 1 69 34 23 1 70 34 65 1