@MOLECULE salicyluric acid 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3959 -2.0247 -0.5167 O.3 1 UNL1111111111 -0.4714 2 O 0.4069 0.9375 -1.8476 O.2 1 UNL1111111111 -0.5145 3 O 3.1282 -0.5801 1.5780 O.3 1 UNL1111111111 -0.5678 4 O 4.2221 0.8731 0.2877 O.2 1 UNL1111111111 -0.4854 5 N 1.0617 -0.4773 -0.2106 N.am 1 UNL1111111111 -0.5763 6 C -1.2361 0.2881 -0.2524 C.ar 1 UNL1111111111 -0.2369 7 C 0.1122 0.2810 -0.8698 C.2 1 UNL1111111111 0.6135 8 C -1.9947 -0.8781 -0.1036 C.ar 1 UNL1111111111 0.3127 9 C -1.7903 1.5031 0.1526 C.ar 1 UNL1111111111 -0.0246 10 C 2.4384 -0.4975 -0.6805 C.3 1 UNL1111111111 -0.1246 11 C -3.2756 -0.8594 0.4530 C.ar 1 UNL1111111111 -0.3171 12 C -3.0634 1.5385 0.7166 C.ar 1 UNL1111111111 -0.2319 13 C -3.8004 0.3619 0.8660 C.ar 1 UNL1111111111 -0.0398 14 C 3.3627 0.0436 0.3945 C.2 1 UNL1111111111 0.6152 15 H -1.2204 2.4265 0.0151 H 1 UNL1111111111 0.1702 16 H 0.8299 -1.0680 0.5726 H 1 UNL1111111111 0.3289 17 H 2.5493 0.1300 -1.6091 H 1 UNL1111111111 0.2114 18 H 2.7538 -1.5362 -0.9488 H 1 UNL1111111111 0.1689 19 H -3.8488 -1.7736 0.5584 H 1 UNL1111111111 0.1647 20 H -3.4878 2.4874 1.0358 H 1 UNL1111111111 0.1626 21 H -4.7953 0.3991 1.3090 H 1 UNL1111111111 0.1504 22 H -2.0097 -2.7988 -0.4732 H 1 UNL1111111111 0.3344 23 H 3.6917 -0.2511 2.3212 H 1 UNL1111111111 0.3576 @BOND 1 1 8 1 2 1 22 1 3 2 7 2 4 3 14 1 5 3 23 1 6 4 14 2 7 5 7 am 8 5 10 1 9 5 16 1 10 6 7 1 11 6 8 ar 12 6 9 ar 13 8 11 ar 14 9 12 ar 15 9 15 1 16 10 14 1 17 10 17 1 18 10 18 1 19 11 13 ar 20 11 19 1 21 12 13 ar 22 12 20 1 23 13 21 1