@MOLECULE n~4~-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-pyridinediamine 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8866 -1.9108 0.6292 O.3 1 UNL11111111111 -0.2887 2 O 4.3235 -0.6641 -0.0938 O.3 1 UNL11111111111 -0.3206 3 N -1.6842 0.9155 -1.1573 N.pl3 1 UNL11111111111 -0.5005 4 N -2.0142 -1.8612 -1.3771 N.pl3 1 UNL11111111111 -0.6006 5 N -4.8972 -1.0012 0.7924 N.ar 1 UNL11111111111 -0.3844 6 C -0.4730 2.2468 0.6027 C.3 1 UNL11111111111 -0.3218 7 C -1.2381 2.2530 -0.7406 C.3 1 UNL11111111111 -0.0769 8 C 0.8212 1.5108 0.4494 C.ar 1 UNL11111111111 0.0185 9 C 0.8515 0.1266 0.6275 C.ar 1 UNL11111111111 -0.2426 10 C 1.9834 2.1914 0.0957 C.ar 1 UNL11111111111 -0.1926 11 C -2.7348 0.3068 -0.4623 C.ar 1 UNL11111111111 0.2173 12 C 2.0407 -0.5782 0.4320 C.ar 1 UNL11111111111 0.1801 13 C 3.2152 0.1171 0.0706 C.ar 1 UNL11111111111 0.1000 14 C 3.1797 1.4969 -0.0906 C.ar 1 UNL11111111111 -0.2182 15 C -2.9498 -1.0950 -0.6365 C.ar 1 UNL11111111111 -0.0069 16 C -3.6481 1.0098 0.3325 C.ar 1 UNL11111111111 -0.3359 17 C -4.0313 -1.6916 0.0227 C.ar 1 UNL11111111111 -0.0084 18 C -4.7114 0.3202 0.9285 C.ar 1 UNL11111111111 0.0598 19 C 3.0011 -2.7608 0.3996 C.3 1 UNL11111111111 -0.1974 20 C 5.5253 -0.0025 -0.4612 C.3 1 UNL11111111111 -0.2021 21 H -0.3029 3.2881 0.9392 H 1 UNL11111111111 0.1552 22 H -1.1003 1.7840 1.3933 H 1 UNL11111111111 0.1654 23 H -2.1080 2.9423 -0.6895 H 1 UNL11111111111 0.1442 24 H -0.5781 2.6424 -1.5519 H 1 UNL11111111111 0.1525 25 H -0.8938 0.2871 -1.3425 H 1 UNL11111111111 0.3086 26 H -0.0452 -0.4251 0.9159 H 1 UNL11111111111 0.1860 27 H 1.9667 3.2699 -0.0388 H 1 UNL11111111111 0.1534 28 H 4.0745 2.0499 -0.3623 H 1 UNL11111111111 0.1587 29 H -3.5447 2.0760 0.4964 H 1 UNL11111111111 0.1689 30 H -4.2246 -2.7667 -0.0529 H 1 UNL11111111111 0.1702 31 H -5.4462 0.8421 1.5514 H 1 UNL11111111111 0.1662 32 H -2.1769 -2.8542 -1.3531 H 1 UNL11111111111 0.2731 33 H -1.8796 -1.5428 -2.3246 H 1 UNL11111111111 0.2746 34 H 3.8098 -2.5421 1.1046 H 1 UNL11111111111 0.1400 35 H 3.3459 -2.6868 -0.6366 H 1 UNL11111111111 0.1393 36 H 2.5727 -3.7530 0.5959 H 1 UNL11111111111 0.1479 37 H 5.8369 0.7043 0.3141 H 1 UNL11111111111 0.1345 38 H 5.4223 0.4883 -1.4337 H 1 UNL11111111111 0.1330 39 H 6.2361 -0.8374 -0.5263 H 1 UNL11111111111 0.1499 @BOND 1 1 12 1 2 1 19 1 3 2 13 1 4 2 20 1 5 3 7 1 6 3 11 1 7 3 25 1 8 4 15 1 9 4 32 1 10 4 33 1 11 5 17 ar 12 5 18 ar 13 6 7 1 14 6 8 1 15 6 21 1 16 6 22 1 17 7 23 1 18 7 24 1 19 8 9 ar 20 8 10 ar 21 9 12 ar 22 9 26 1 23 10 14 ar 24 10 27 1 25 11 15 ar 26 11 16 ar 27 12 13 ar 28 13 14 ar 29 14 28 1 30 15 17 ar 31 16 18 ar 32 16 29 1 33 17 30 1 34 18 31 1 35 19 34 1 36 19 35 1 37 19 36 1 38 20 37 1 39 20 38 1 40 20 39 1