@MOLECULE tolmetin 34 35 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7466 2.3122 0.2049 O.2 1 UNL11111111 -0.4680 2 O 5.1135 -1.6458 0.4443 O.3 1 UNL11111111 -0.5496 3 O 4.4524 0.2205 1.4702 O.2 1 UNL11111111 -0.5102 4 N 1.5893 0.7263 -0.2948 N.ar 1 UNL11111111 -0.1083 5 C 2.4203 -0.2357 -0.8242 C.ar 1 UNL11111111 0.0340 6 C 0.2698 0.3094 -0.4342 C.ar 1 UNL11111111 -0.1405 7 C 1.6198 -1.2886 -1.3137 C.ar 1 UNL11111111 -0.2369 8 C 0.2785 -0.9475 -1.0701 C.ar 1 UNL11111111 -0.1564 9 C 3.8958 -0.1349 -0.8764 C.3 1 UNL11111111 -0.3430 10 C -0.8697 1.1279 -0.0296 C.2 1 UNL11111111 0.4839 11 C 1.9936 1.9680 0.3349 C.3 1 UNL11111111 -0.2674 12 C -2.1915 0.4669 0.0669 C.ar 1 UNL11111111 -0.1655 13 C -2.3288 -0.7719 0.6939 C.ar 1 UNL11111111 -0.0879 14 C -3.3091 1.1246 -0.4495 C.ar 1 UNL11111111 -0.0678 15 C -4.7056 -0.7166 0.2567 C.ar 1 UNL11111111 0.0828 16 C -3.5851 -1.3615 0.7897 C.ar 1 UNL11111111 -0.2043 17 C -4.5635 0.5289 -0.3622 C.ar 1 UNL11111111 -0.2094 18 C 4.4811 -0.4483 0.4714 C.2 1 UNL11111111 0.6530 19 C -6.0529 -1.3440 0.3668 C.3 1 UNL11111111 -0.4666 20 H 1.9754 -2.1799 -1.7830 H 1 UNL11111111 0.1655 21 H -0.5841 -1.5257 -1.3306 H 1 UNL11111111 0.1668 22 H 4.2317 0.8780 -1.2011 H 1 UNL11111111 0.1888 23 H 4.2965 -0.8375 -1.6500 H 1 UNL11111111 0.2021 24 H 1.3885 2.1633 1.2461 H 1 UNL11111111 0.1855 25 H 3.0549 1.9468 0.6429 H 1 UNL11111111 0.1730 26 H 1.8217 2.8230 -0.3488 H 1 UNL11111111 0.1712 27 H -1.4547 -1.2736 1.1127 H 1 UNL11111111 0.1612 28 H -3.1932 2.1053 -0.9151 H 1 UNL11111111 0.1642 29 H -3.6948 -2.3252 1.2812 H 1 UNL11111111 0.1553 30 H -5.4342 1.0366 -0.7699 H 1 UNL11111111 0.1549 31 H -6.6949 -1.1095 -0.4938 H 1 UNL11111111 0.1591 32 H -6.0040 -2.4390 0.4390 H 1 UNL11111111 0.1576 33 H -6.5772 -0.9851 1.2668 H 1 UNL11111111 0.1659 34 H 5.5004 -1.9134 1.3157 H 1 UNL11111111 0.3568 @BOND 1 20 7 1 2 23 9 1 3 21 8 1 4 7 8 ar 5 7 5 ar 6 22 9 1 7 8 6 ar 8 28 14 1 9 9 5 1 10 9 18 1 11 5 4 ar 12 30 17 1 13 31 19 1 14 14 17 ar 15 14 12 ar 16 6 4 ar 17 6 10 1 18 17 15 ar 19 26 11 1 20 4 11 1 21 10 12 1 22 10 1 2 23 12 13 ar 24 15 19 1 25 15 16 ar 26 11 25 1 27 11 24 1 28 19 32 1 29 19 33 1 30 2 18 1 31 2 34 1 32 18 3 2 33 13 16 ar 34 13 27 1 35 16 29 1