@MOLECULE camalexin 22 24 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.8894 -0.8893 0.0006 S.2 1 UNL1111111111 0.1256 2 N 1.5885 -2.0801 -0.0004 N.ar 1 UNL1111111111 -0.3540 3 N -1.6127 1.3712 -0.0006 N.ar 1 UNL1111111111 -0.3949 4 C 1.1758 0.1678 0.0001 C.ar 1 UNL1111111111 -0.0245 5 C -0.0839 -0.5376 -0.0000 C.ar 1 UNL1111111111 -0.1743 6 C 2.2049 -0.8225 -0.0002 C.ar 1 UNL1111111111 0.0876 7 C 0.2129 -1.9011 -0.0003 C.ar 1 UNL1111111111 0.0135 8 C 1.5270 1.5214 0.0003 C.ar 1 UNL1111111111 -0.0897 9 C -1.3699 0.0758 -0.0000 C.ar 1 UNL1111111111 0.1583 10 C 3.5636 -0.4857 -0.0001 C.ar 1 UNL1111111111 -0.2138 11 C 2.8701 1.8533 0.0004 C.ar 1 UNL1111111111 -0.1842 12 C 3.8753 0.8617 0.0002 C.ar 1 UNL1111111111 -0.1125 13 C -3.8151 0.5805 -0.0001 C.ar 1 UNL1111111111 -0.3562 14 C -2.9764 1.6599 -0.0007 C.ar 1 UNL1111111111 0.0223 15 H -0.4544 -2.7471 -0.0005 H 1 UNL1111111111 0.1753 16 H 2.0631 -2.9529 -0.0006 H 1 UNL1111111111 0.3151 17 H 0.7421 2.2830 0.0005 H 1 UNL1111111111 0.1861 18 H 4.3325 -1.2489 -0.0003 H 1 UNL1111111111 0.1546 19 H 3.1683 2.8990 0.0007 H 1 UNL1111111111 0.1540 20 H 4.9184 1.1753 0.0002 H 1 UNL1111111111 0.1482 21 H -4.8878 0.5851 -0.0000 H 1 UNL1111111111 0.1854 22 H -3.2547 2.7086 -0.0012 H 1 UNL1111111111 0.1782 @BOND 1 1 9 ar 2 1 13 ar 3 2 6 ar 4 2 7 ar 5 2 16 1 6 3 9 ar 7 3 14 ar 8 4 5 ar 9 4 6 ar 10 4 8 ar 11 5 7 ar 12 5 9 1 13 6 10 ar 14 7 15 1 15 8 11 ar 16 8 17 1 17 10 12 ar 18 10 18 1 19 11 12 ar 20 11 19 1 21 12 20 1 22 13 14 ar 23 13 21 1 24 14 22 1