@MOLECULE (2r)-2-{[6-(3-furyl)-5-(1h-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]oxy}-2-phenylethanamine 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.3103 -2.4393 -0.6062 O.3 1 UNL1 -0.3373 2 O 5.2341 -2.0151 0.7872 O.2 1 UNL1 -0.1855 3 N 2.3327 2.5480 1.3191 N.ar 1 UNL1 -0.3557 4 N -0.4680 -0.6790 -3.2782 N.3 2 UNL2 -0.7368 5 N 1.1670 -2.9571 -0.0284 N.ar 1 UNL1 -0.3331 6 N 1.4236 4.3576 -0.0548 N.ar 1 UNL1 -0.4020 7 C -3.2288 -1.3988 -1.0002 C.3 1 UNL1 0.0930 8 C 1.2535 0.7707 0.3743 C.ar 1 UNL1 -0.1267 9 C 0.7897 -0.5722 0.1197 C.ar 1 UNL1 0.0088 10 C -4.4098 -2.1276 -1.4812 C.3 1 UNL1 -0.3133 11 C 0.8208 1.9606 -0.3093 C.ar 1 UNL1 -0.1200 12 C -3.5684 -0.5173 0.1724 C.ar 1 UNL1 -0.0569 13 C 1.6441 -1.6961 0.1154 C.ar 1 UNL1 0.1264 14 C -1.0399 -2.0692 -0.3214 C.ar 1 UNL1 0.1609 15 C -0.5743 -0.7761 -0.1169 C.ar 1 UNL1 -0.2331 16 C 1.5266 3.0550 0.3022 C.ar 1 UNL1 0.2383 17 C 2.1641 1.1640 1.3499 C.ar 1 UNL1 0.0101 18 C 3.0858 -1.5914 0.2394 C.ar 1 UNL1 -0.1112 19 C -0.1356 -3.1548 -0.2353 C.ar 1 UNL1 -0.0439 20 C -0.0518 2.2741 -1.3539 C.ar 1 UNL1 -0.0501 21 C -3.8402 0.8348 -0.0416 C.ar 1 UNL1 -0.1603 22 C -3.5818 -1.0432 1.4637 C.ar 1 UNL1 -0.1351 23 C -0.1687 3.6029 -1.7273 C.ar 1 UNL1 -0.2723 24 C -4.1117 1.6634 1.0440 C.ar 1 UNL1 -0.1421 25 C -3.8458 -0.2080 2.5474 C.ar 1 UNL1 -0.1448 26 C 3.9310 -0.6160 -0.4173 C.ar 1 UNL1 -0.2187 27 C 3.9269 -2.4159 0.9441 C.ar 1 UNL1 0.0237 28 C 0.5801 4.6058 -1.0618 C.ar 1 UNL1 0.0667 29 C -4.1081 1.1443 2.3380 C.ar 1 UNL1 -0.1422 30 C 5.2120 -0.9155 -0.0534 C.ar 1 UNL1 -0.0250 31 H -2.7441 -0.8190 -1.8367 H 1 UNL1 0.1779 32 H -4.4105 -3.1942 -1.5321 H 1 UNL1 0.1607 33 H -5.2888 -1.6028 -1.7732 H 1 UNL1 0.1505 34 H -1.2470 0.0818 -0.1201 H 1 UNL1 0.1897 35 H 2.6972 0.5517 2.0585 H 1 UNL1 0.1826 36 H 2.9412 3.0880 1.8927 H 1 UNL1 0.3258 37 H -0.5621 -1.5321 -2.7661 H 1 UNL1 0.2465 38 H 0.3539 -0.2053 -2.9624 H 1 UNL1 0.2462 39 H -0.3836 -0.8790 -4.2506 H 1 UNL1 0.2424 40 H -0.4765 -4.1886 -0.3411 H 1 UNL1 0.1865 41 H -0.6249 1.4935 -1.8595 H 1 UNL1 0.1790 42 H -3.8330 1.2440 -1.0502 H 1 UNL1 0.1552 43 H -3.3736 -2.1019 1.6211 H 1 UNL1 0.1647 44 H -0.8345 3.8914 -2.5350 H 1 UNL1 0.1649 45 H -4.3198 2.7196 0.8827 H 1 UNL1 0.1498 46 H -3.8441 -0.6131 3.5579 H 1 UNL1 0.1513 47 H 3.5778 0.1631 -1.0603 H 1 UNL1 0.1768 48 H 3.8029 -3.2758 1.5614 H 1 UNL1 0.1806 49 H 0.4931 5.6580 -1.3577 H 1 UNL1 0.1676 50 H -4.3081 1.7969 3.1853 H 1 UNL1 0.1493 51 H 6.1779 -0.5215 -0.2581 H 1 UNL1 0.1699 @BOND 1 39 4 1 2 4 38 1 3 4 37 1 4 44 23 1 5 41 20 1 6 31 7 1 7 33 10 1 8 23 20 ar 9 23 28 ar 10 32 10 1 11 10 7 1 12 49 28 1 13 20 11 ar 14 28 6 ar 15 47 26 1 16 42 21 1 17 7 1 1 18 7 12 1 19 1 14 1 20 26 30 ar 21 26 18 ar 22 40 19 1 23 14 19 ar 24 14 15 ar 25 11 16 ar 26 11 8 ar 27 51 30 1 28 19 5 ar 29 34 15 1 30 15 9 ar 31 6 16 ar 32 30 2 ar 33 21 12 ar 34 21 24 ar 35 5 13 ar 36 13 9 ar 37 13 18 1 38 9 8 1 39 12 22 ar 40 18 27 ar 41 16 3 ar 42 8 17 ar 43 2 27 ar 44 45 24 1 45 27 48 1 46 24 29 ar 47 3 17 ar 48 3 36 1 49 17 35 1 50 22 43 1 51 22 25 ar 52 29 25 ar 53 29 50 1 54 25 46 1