@MOLECULE octylphenol 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7739 -2.1398 -0.1006 O.3 1 UNL111111111 -0.4769 2 C 2.3169 0.0720 0.2205 C.3 1 UNL111111111 -0.2703 3 C 1.1788 0.0619 -0.8082 C.3 1 UNL111111111 -0.2702 4 C 3.6768 0.0382 -0.4879 C.3 1 UNL111111111 -0.2765 5 C -0.1815 0.1539 -0.1102 C.3 1 UNL111111111 -0.2685 6 C 4.8259 0.0798 0.5270 C.3 1 UNL111111111 -0.2726 7 C -1.3212 0.1769 -1.1418 C.3 1 UNL111111111 -0.2746 8 C 6.1819 0.0092 -0.1887 C.3 1 UNL111111111 -0.2512 9 C -2.6403 0.2582 -0.4457 C.ar 1 UNL111111111 -0.1436 10 C 7.3326 0.0211 0.8174 C.3 1 UNL111111111 -0.4395 11 C -3.2885 -0.8887 0.0302 C.ar 1 UNL111111111 0.2673 12 C -3.2590 1.4907 -0.2353 C.ar 1 UNL111111111 -0.1028 13 C -4.5248 -0.8329 0.6816 C.ar 1 UNL111111111 -0.2394 14 C -4.4856 1.5692 0.4201 C.ar 1 UNL111111111 -0.2136 15 C -5.1176 0.4094 0.8718 C.ar 1 UNL111111111 -0.0938 16 H 2.2448 0.9716 0.8597 H 1 UNL111111111 0.1382 17 H 2.2224 -0.7927 0.9035 H 1 UNL111111111 0.1383 18 H 1.2336 -0.8553 -1.4233 H 1 UNL111111111 0.1350 19 H 1.3010 0.9072 -1.5117 H 1 UNL111111111 0.1380 20 H 3.7553 -0.8730 -1.1099 H 1 UNL111111111 0.1363 21 H 3.7613 0.8913 -1.1869 H 1 UNL111111111 0.1358 22 H -0.3132 -0.6899 0.5923 H 1 UNL111111111 0.1398 23 H -0.2300 1.0667 0.5156 H 1 UNL111111111 0.1470 24 H 4.7323 -0.7571 1.2432 H 1 UNL111111111 0.1374 25 H 4.7658 1.0037 1.1319 H 1 UNL111111111 0.1369 26 H -1.1877 1.0397 -1.8282 H 1 UNL111111111 0.1548 27 H -1.2667 -0.7109 -1.8038 H 1 UNL111111111 0.1397 28 H 6.2342 -0.9041 -0.8111 H 1 UNL111111111 0.1336 29 H 6.2835 0.8603 -0.8883 H 1 UNL111111111 0.1333 30 H 7.2732 -0.8309 1.5040 H 1 UNL111111111 0.1427 31 H 8.3030 -0.0309 0.3117 H 1 UNL111111111 0.1404 32 H 7.3251 0.9340 1.4233 H 1 UNL111111111 0.1425 33 H -2.7753 2.4014 -0.5875 H 1 UNL111111111 0.1504 34 H -4.9947 -1.7500 1.0271 H 1 UNL111111111 0.1740 35 H -4.9527 2.5374 0.5794 H 1 UNL111111111 0.1528 36 H -6.0800 0.4772 1.3774 H 1 UNL111111111 0.1498 37 H -1.8785 -2.1359 -0.5202 H 1 UNL111111111 0.3295 @BOND 1 1 11 1 2 1 37 1 3 2 3 1 4 2 4 1 5 2 16 1 6 2 17 1 7 3 5 1 8 3 18 1 9 3 19 1 10 4 6 1 11 4 20 1 12 4 21 1 13 5 7 1 14 5 22 1 15 5 23 1 16 6 8 1 17 6 24 1 18 6 25 1 19 7 9 1 20 7 26 1 21 7 27 1 22 8 10 1 23 8 28 1 24 8 29 1 25 9 11 ar 26 9 12 ar 27 10 30 1 28 10 31 1 29 10 32 1 30 11 13 ar 31 12 14 ar 32 12 33 1 33 13 15 ar 34 13 34 1 35 14 15 ar 36 14 35 1 37 15 36 1