@MOLECULE ethyl isonicotinate 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6590 -0.2788 -0.0005 O.3 1 UNL1111111111 -0.4223 2 O -1.1138 1.8988 0.0007 O.2 1 UNL1111111111 -0.4879 3 N 3.2545 -0.6559 -0.0001 N.ar 1 UNL1111111111 -0.3414 4 C 0.6159 0.2300 0.0001 C.ar 1 UNL1111111111 -0.0708 5 C -3.0497 0.0927 -0.0008 C.3 1 UNL1111111111 0.0127 6 C -0.7732 0.7423 0.0002 C.2 1 UNL1111111111 0.5874 7 C 1.6623 1.1519 -0.0002 C.ar 1 UNL1111111111 -0.1795 8 C 0.8927 -1.1359 0.0003 C.ar 1 UNL1111111111 -0.1805 9 C -3.7805 -1.2389 0.0004 C.3 1 UNL1111111111 -0.4627 10 C 2.9746 0.6601 -0.0003 C.ar 1 UNL1111111111 0.0364 11 C 2.2365 -1.5354 0.0002 C.ar 1 UNL1111111111 0.0350 12 H -3.2490 0.6986 0.9007 H 1 UNL1111111111 0.1367 13 H -3.2488 0.6969 -0.9035 H 1 UNL1111111111 0.1367 14 H -4.8668 -1.0927 -0.0002 H 1 UNL1111111111 0.1552 15 H -3.5195 -1.8396 -0.8813 H 1 UNL1111111111 0.1606 16 H -3.5203 -1.8376 0.8837 H 1 UNL1111111111 0.1606 17 H 1.4610 2.2244 -0.0003 H 1 UNL1111111111 0.1881 18 H 0.0918 -1.8746 0.0005 H 1 UNL1111111111 0.1834 19 H 3.8406 1.3330 -0.0005 H 1 UNL1111111111 0.1767 20 H 2.5203 -2.5946 0.0003 H 1 UNL1111111111 0.1757 @BOND 1 1 5 1 2 1 6 1 3 2 6 2 4 3 10 ar 5 3 11 ar 6 4 6 1 7 4 7 ar 8 4 8 ar 9 5 9 1 10 5 12 1 11 5 13 1 12 7 10 ar 13 7 17 1 14 8 11 ar 15 8 18 1 16 9 14 1 17 9 15 1 18 9 16 1 19 10 19 1 20 11 20 1