@MOLECULE 4-nonylphenol 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.5981 -1.2077 -0.0675 O.3 1 UNL111111111 -0.4762 2 C 2.0066 -0.1348 -0.0263 C.3 1 UNL111111111 -0.2709 3 C 3.3924 0.5162 0.0667 C.3 1 UNL111111111 -0.2740 4 C 0.9016 0.9206 0.1069 C.3 1 UNL111111111 -0.2737 5 C 4.4969 -0.5400 -0.0659 C.3 1 UNL111111111 -0.2746 6 C -0.4830 0.2689 0.0254 C.3 1 UNL111111111 -0.2612 7 C 5.8828 0.1120 0.0163 C.3 1 UNL111111111 -0.2725 8 C -1.5895 1.3279 0.1625 C.3 1 UNL111111111 -0.2794 9 C 6.9894 -0.9442 -0.1054 C.3 1 UNL111111111 -0.2508 10 C -2.9318 0.6705 0.0780 C.ar 1 UNL111111111 -0.0541 11 C 8.3719 -0.2950 -0.0392 C.3 1 UNL111111111 -0.4398 12 C -3.5620 0.5207 -1.1582 C.ar 1 UNL111111111 -0.1017 13 C -3.5470 0.1870 1.2389 C.ar 1 UNL111111111 -0.1091 14 C -4.8019 -0.1078 -1.2503 C.ar 1 UNL111111111 -0.2994 15 C -4.7824 -0.4434 1.1745 C.ar 1 UNL111111111 -0.2358 16 C -5.3910 -0.5802 -0.0778 C.ar 1 UNL111111111 0.2772 17 H 1.9041 -0.6716 -0.9879 H 1 UNL111111111 0.1372 18 H 1.8955 -0.9020 0.7624 H 1 UNL111111111 0.1374 19 H 3.4959 1.0524 1.0286 H 1 UNL111111111 0.1362 20 H 3.5054 1.2830 -0.7219 H 1 UNL111111111 0.1361 21 H 1.0099 1.6827 -0.6871 H 1 UNL111111111 0.1362 22 H 1.0099 1.4618 1.0650 H 1 UNL111111111 0.1365 23 H 4.3893 -1.3024 0.7280 H 1 UNL111111111 0.1367 24 H 4.3899 -1.0821 -1.0240 H 1 UNL111111111 0.1366 25 H -0.5972 -0.2716 -0.9331 H 1 UNL111111111 0.1408 26 H -0.5951 -0.4962 0.8165 H 1 UNL111111111 0.1416 27 H 5.9883 0.6608 0.9706 H 1 UNL111111111 0.1364 28 H 5.9942 0.8692 -0.7820 H 1 UNL111111111 0.1364 29 H -1.4754 2.0995 -0.6249 H 1 UNL111111111 0.1459 30 H -1.4757 1.8734 1.1207 H 1 UNL111111111 0.1469 31 H 6.8783 -1.5010 -1.0548 H 1 UNL111111111 0.1337 32 H 6.8856 -1.6953 0.7003 H 1 UNL111111111 0.1337 33 H 9.1670 -1.0443 -0.1207 H 1 UNL111111111 0.1402 34 H 8.5190 0.2393 0.9060 H 1 UNL111111111 0.1423 35 H 8.5149 0.4265 -0.8513 H 1 UNL111111111 0.1422 36 H -3.0813 0.8958 -2.0610 H 1 UNL111111111 0.1516 37 H -3.0505 0.3041 2.2015 H 1 UNL111111111 0.1537 38 H -5.2918 -0.2248 -2.2098 H 1 UNL111111111 0.1586 39 H -5.2777 -0.8262 2.0626 H 1 UNL111111111 0.1741 40 H -6.9885 -1.2783 -0.9704 H 1 UNL111111111 0.3253 @BOND 1 1 16 1 2 1 40 1 3 2 3 1 4 2 4 1 5 2 17 1 6 2 18 1 7 3 5 1 8 3 19 1 9 3 20 1 10 4 6 1 11 4 21 1 12 4 22 1 13 5 7 1 14 5 23 1 15 5 24 1 16 6 8 1 17 6 25 1 18 6 26 1 19 7 9 1 20 7 27 1 21 7 28 1 22 8 10 1 23 8 29 1 24 8 30 1 25 9 11 1 26 9 31 1 27 9 32 1 28 10 12 ar 29 10 13 ar 30 11 33 1 31 11 34 1 32 11 35 1 33 12 14 ar 34 12 36 1 35 13 15 ar 36 13 37 1 37 14 16 ar 38 14 38 1 39 15 16 ar 40 15 39 1