@MOLECULE indoxyl 17 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3826 1.3907 0.0004 O.3 1 UNL1111111111 -0.4275 2 N -0.7184 -1.7835 0.0000 N.ar 1 UNL1111111111 -0.3638 3 C -0.1559 0.4361 0.0001 C.ar 1 UNL1111111111 -0.1430 4 C 0.3530 -0.9046 -0.0003 C.ar 1 UNL1111111111 0.1403 5 C -1.5856 0.3057 -0.0003 C.ar 1 UNL1111111111 0.1786 6 C -1.9145 -1.0413 -0.0000 C.ar 1 UNL1111111111 -0.2024 7 C 0.7349 1.5130 -0.0003 C.ar 1 UNL1111111111 -0.0553 8 C 1.7340 -1.1675 0.0001 C.ar 1 UNL1111111111 -0.2427 9 C 2.0914 1.2480 -0.0002 C.ar 1 UNL1111111111 -0.2260 10 C 2.5814 -0.0792 0.0002 C.ar 1 UNL1111111111 -0.0822 11 H -0.6597 -2.7731 -0.0009 H 1 UNL1111111111 0.3149 12 H -2.8669 -1.5218 -0.0011 H 1 UNL1111111111 0.1719 13 H 0.3490 2.5321 -0.0007 H 1 UNL1111111111 0.1602 14 H 2.1093 -2.1856 0.0011 H 1 UNL1111111111 0.1576 15 H 2.8059 2.0662 -0.0008 H 1 UNL1111111111 0.1537 16 H 3.6605 -0.2341 0.0017 H 1 UNL1111111111 0.1470 17 H -3.3378 1.1293 0.0001 H 1 UNL1111111111 0.3187 @BOND 1 1 5 1 2 1 17 1 3 2 4 ar 4 2 6 ar 5 2 11 1 6 3 4 ar 7 3 5 ar 8 3 7 ar 9 4 8 ar 10 5 6 ar 11 6 12 1 12 7 9 ar 13 7 13 1 14 8 10 ar 15 8 14 1 16 9 10 ar 17 9 15 1 18 10 16 1