@MOLECULE 2-(diethylcarbamoyl)isonicotinic acid 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7329 -0.5630 -1.9705 O.2 1 UNL1111111111 -0.3149 2 O 4.4974 -0.2968 0.4230 O.3 1 UNL1111111111 -0.4550 3 O 3.2314 -2.1296 0.5067 O.2 1 UNL1111111111 -0.2303 4 N -2.3641 -0.1899 0.1709 N.am 1 UNL1111111111 -0.1530 5 N 0.1149 1.7033 -0.6668 N.ar 1 UNL1111111111 -0.4218 6 C -2.1410 0.4913 1.4505 C.3 1 UNL1111111111 -0.3556 7 C -3.7308 -0.6643 -0.1030 C.3 1 UNL1111111111 -0.1404 8 C -1.4655 -0.1325 -0.8673 C.2 1 UNL1111111111 0.1429 9 C -3.9287 -2.0694 0.4767 C.3 1 UNL1111111111 -0.7406 10 C -2.5175 1.9748 1.3883 C.3 1 UNL1111111111 -0.5022 11 C -0.0788 0.3769 -0.5637 C.ar 1 UNL1111111111 0.3660 12 C 0.9432 -0.5280 -0.2514 C.ar 1 UNL1111111111 -0.6675 13 C 2.2196 -0.0089 -0.0310 C.ar 1 UNL1111111111 0.5953 14 C 2.4413 1.3629 -0.1401 C.ar 1 UNL1111111111 -0.5311 15 C 1.3537 2.1861 -0.4652 C.ar 1 UNL1111111111 0.1051 16 C 3.3079 -0.9442 0.3178 C.2 1 UNL1111111111 0.0652 17 H -2.7389 -0.0273 2.2359 H 1 UNL1111111111 0.2391 18 H -4.4691 0.0474 0.3259 H 1 UNL1111111111 0.1850 19 H -3.9064 -0.6817 -1.2078 H 1 UNL1111111111 0.1703 20 H -1.0738 0.3771 1.7493 H 1 UNL1111111111 0.2347 21 H -1.9459 2.4991 0.6068 H 1 UNL1111111111 0.1712 22 H -3.5783 2.1166 1.1555 H 1 UNL1111111111 0.1606 23 H -3.2144 -2.7791 0.0376 H 1 UNL1111111111 0.2458 24 H -3.7832 -2.0890 1.5613 H 1 UNL1111111111 0.2254 25 H -4.9365 -2.4410 0.2639 H 1 UNL1111111111 0.2287 26 H -2.3114 2.4763 2.3389 H 1 UNL1111111111 0.1809 27 H 0.7490 -1.6022 -0.1896 H 1 UNL1111111111 0.3466 28 H 3.4332 1.7881 0.0202 H 1 UNL1111111111 0.2903 29 H 1.4638 3.2724 -0.5707 H 1 UNL1111111111 0.1783 30 H 5.2517 -0.8993 0.6485 H 1 UNL1111111111 0.3809 @BOND 1 1 8 2 2 2 16 1 3 2 30 1 4 3 16 2 5 4 6 1 6 4 7 1 7 4 8 am 8 5 11 ar 9 5 15 ar 10 6 10 1 11 6 17 1 12 6 20 1 13 7 9 1 14 7 18 1 15 7 19 1 16 8 11 1 17 9 23 1 18 9 24 1 19 9 25 1 20 10 21 1 21 10 22 1 22 10 26 1 23 11 12 ar 24 12 13 ar 25 12 27 1 26 13 14 ar 27 13 16 1 28 14 15 ar 29 14 28 1 30 15 29 1