@MOLECULE 4-(2,2-dimethylpropanoyl)benzoic acid 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4485 -0.1022 1.8211 O.2 1 UNL1111111111 -0.1909 2 O 4.1915 1.1591 -0.1994 O.3 1 UNL1111111111 -0.4720 3 O 4.3447 -1.0596 -0.2905 O.2 1 UNL1111111111 -0.2834 4 C -2.9612 0.0386 -0.5062 C.3 1 UNL1111111111 0.6863 5 C -2.0199 -0.0414 0.6972 C.2 1 UNL1111111111 0.0491 6 C -2.2001 0.0597 -1.8321 C.3 1 UNL1111111111 -0.9929 7 C -3.7793 1.3257 -0.3465 C.3 1 UNL1111111111 -0.9653 8 C -3.8757 -1.1906 -0.4459 C.3 1 UNL1111111111 -0.9797 9 C -0.5484 -0.0399 0.4516 C.ar 1 UNL1111111111 -0.0324 10 C 0.1383 1.1722 0.4042 C.ar 1 UNL1111111111 -0.2187 11 C 0.1225 -1.2528 0.3000 C.ar 1 UNL1111111111 -0.1322 12 C 1.5162 1.1736 0.1996 C.ar 1 UNL1111111111 -0.3219 13 C 1.4992 -1.2531 0.0959 C.ar 1 UNL1111111111 -0.3741 14 C 2.1907 -0.0390 0.0459 C.ar 1 UNL1111111111 0.3614 15 C 3.6457 -0.0867 -0.1612 C.2 1 UNL1111111111 0.1289 16 H -1.5930 -0.8430 -1.9695 H 1 UNL1111111111 0.2719 17 H -1.5284 0.9231 -1.9061 H 1 UNL1111111111 0.2581 18 H -2.8923 0.1155 -2.6810 H 1 UNL1111111111 0.2646 19 H -4.3035 1.3459 0.6194 H 1 UNL1111111111 0.2725 20 H -4.5381 1.4116 -1.1324 H 1 UNL1111111111 0.2574 21 H -3.1485 2.2192 -0.3996 H 1 UNL1111111111 0.2577 22 H -4.3989 -1.2503 0.5190 H 1 UNL1111111111 0.2774 23 H -4.6394 -1.1547 -1.2307 H 1 UNL1111111111 0.2658 24 H -3.3147 -2.1224 -0.5749 H 1 UNL1111111111 0.2791 25 H -0.3951 2.1125 0.5364 H 1 UNL1111111111 0.2156 26 H -0.4241 -2.1936 0.3523 H 1 UNL1111111111 0.2281 27 H 2.0666 2.1175 0.1642 H 1 UNL1111111111 0.2594 28 H 2.0431 -2.1953 -0.0198 H 1 UNL1111111111 0.2643 29 H 5.1726 1.1497 -0.3293 H 1 UNL1111111111 0.3657 @BOND 1 1 5 2 2 2 15 1 3 2 29 1 4 3 15 2 5 4 5 1 6 4 6 1 7 4 7 1 8 4 8 1 9 5 9 1 10 6 16 1 11 6 17 1 12 6 18 1 13 7 19 1 14 7 20 1 15 7 21 1 16 8 22 1 17 8 23 1 18 8 24 1 19 9 10 ar 20 9 11 ar 21 10 12 ar 22 10 25 1 23 11 13 ar 24 11 26 1 25 12 14 ar 26 12 27 1 27 13 14 ar 28 13 28 1 29 14 15 1