@MOLECULE 4-[6-(3-hydroxyphenyl)-2-pyrazinyl]benzoic acid 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.5891 -0.4640 -0.4985 O.2 1 UNL111111111 -0.5006 2 C -5.6225 -0.9242 0.0544 C.2 1 UNL111111111 0.6371 3 O -5.7329 -2.0635 0.7897 O.3 1 UNL111111111 -0.5586 4 C -4.2471 -0.4041 0.0572 C.ar 1 UNL111111111 -0.1366 5 C -3.9957 0.7852 -0.6333 C.ar 1 UNL111111111 -0.0734 6 C -2.7092 1.3133 -0.6515 C.ar 1 UNL111111111 -0.1773 7 C -1.6781 0.6506 0.0224 C.ar 1 UNL111111111 0.0233 8 C -1.9308 -0.5443 0.7020 C.ar 1 UNL111111111 -0.1429 9 C -3.2183 -1.0730 0.7219 C.ar 1 UNL111111111 -0.0681 10 C -0.3193 1.2116 0.0181 C.ar 1 UNL111111111 0.0933 11 N 0.7094 0.3467 -0.1000 N.ar 1 UNL111111111 -0.3302 12 C 1.9643 0.8371 -0.1048 C.ar 1 UNL111111111 0.1053 13 C 2.1906 2.2318 -0.0003 C.ar 1 UNL111111111 -0.0379 14 N 1.1689 3.0915 0.1294 N.ar 1 UNL111111111 -0.2914 15 C -0.0810 2.5997 0.1460 C.ar 1 UNL111111111 -0.0438 16 C 3.0729 -0.1208 -0.2308 C.ar 1 UNL111111111 0.0420 17 C 4.2277 0.0608 0.5372 C.ar 1 UNL111111111 -0.3124 18 C 5.2666 -0.8553 0.3824 C.ar 1 UNL111111111 0.2969 19 O 6.4283 -0.7635 1.0798 O.3 1 UNL111111111 -0.4705 20 C 5.1907 -1.9360 -0.5060 C.ar 1 UNL111111111 -0.2301 21 C 4.0296 -2.0955 -1.2494 C.ar 1 UNL111111111 -0.0801 22 C 2.9692 -1.1950 -1.1141 C.ar 1 UNL111111111 -0.1800 23 H -6.6517 -2.4307 0.8023 H 1 UNL111111111 0.3581 24 H -4.8112 1.2928 -1.1568 H 1 UNL111111111 0.1761 25 H -2.5078 2.2326 -1.1997 H 1 UNL111111111 0.1634 26 H -1.1131 -1.0648 1.2061 H 1 UNL111111111 0.1791 27 H -3.4201 -2.0070 1.2529 H 1 UNL111111111 0.1766 28 H 3.1973 2.6609 -0.0283 H 1 UNL111111111 0.1915 29 H -0.8932 3.3231 0.2695 H 1 UNL111111111 0.1915 30 H 4.3067 0.8814 1.2416 H 1 UNL111111111 0.1652 31 H 6.4335 0.0057 1.6997 H 1 UNL111111111 0.3291 32 H 6.0286 -2.6227 -0.5944 H 1 UNL111111111 0.1746 33 H 3.9397 -2.9305 -1.9446 H 1 UNL111111111 0.1552 34 H 2.0545 -1.3363 -1.6908 H 1 UNL111111111 0.1755 @BOND 1 1 2 2 2 2 4 1 3 3 2 1 4 3 23 1 5 4 5 ar 6 4 9 ar 7 5 6 ar 8 5 24 1 9 6 7 ar 10 6 25 1 11 7 10 1 12 8 7 ar 13 8 26 1 14 9 8 ar 15 9 27 1 16 10 15 ar 17 11 10 ar 18 11 12 ar 19 12 13 ar 20 13 14 ar 21 13 28 1 22 15 14 ar 23 15 29 1 24 16 12 1 25 16 17 ar 26 17 30 1 27 18 17 ar 28 18 19 1 29 19 31 1 30 20 18 ar 31 20 32 1 32 21 22 ar 33 21 20 ar 34 21 33 1 35 22 16 ar 36 22 34 1