@MOLECULE 4-(2-pentanyl)phenol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8446 -0.8450 0.1274 O.3 1 UNL1111111111 -0.4759 2 C 1.4119 1.1365 -0.3151 C.3 1 UNL1111111111 -0.0906 3 C 2.4633 0.1660 0.2600 C.3 1 UNL1111111111 -0.2793 4 C 0.0139 0.5945 -0.1743 C.ar 1 UNL1111111111 -0.0639 5 C 2.4544 -1.1764 -0.4808 C.3 1 UNL1111111111 -0.2521 6 C 1.5059 2.4904 0.4058 C.3 1 UNL1111111111 -0.4479 7 C -0.8156 0.4931 -1.2974 C.ar 1 UNL1111111111 -0.1125 8 C -0.4721 0.2098 1.0777 C.ar 1 UNL1111111111 -0.0942 9 C 3.4919 -2.1350 0.1032 C.3 1 UNL1111111111 -0.4391 10 C -2.1130 0.0067 -1.1827 C.ar 1 UNL1111111111 -0.2371 11 C -1.7666 -0.2817 1.2202 C.ar 1 UNL1111111111 -0.3020 12 C -2.5680 -0.3756 0.0826 C.ar 1 UNL1111111111 0.2773 13 H 1.6453 1.2968 -1.3982 H 1 UNL1111111111 0.1393 14 H 2.2838 0.0010 1.3390 H 1 UNL1111111111 0.1386 15 H 3.4662 0.6271 0.1884 H 1 UNL1111111111 0.1375 16 H 2.6491 -1.0165 -1.5573 H 1 UNL1111111111 0.1335 17 H 1.4452 -1.6299 -0.4204 H 1 UNL1111111111 0.1442 18 H 2.4852 2.9553 0.2542 H 1 UNL1111111111 0.1432 19 H 0.7444 3.1855 0.0351 H 1 UNL1111111111 0.1497 20 H 1.3510 2.3850 1.4853 H 1 UNL1111111111 0.1459 21 H -0.4464 0.7980 -2.2764 H 1 UNL1111111111 0.1522 22 H 0.1683 0.2940 1.9558 H 1 UNL1111111111 0.1517 23 H 3.4853 -3.0943 -0.4267 H 1 UNL1111111111 0.1414 24 H 4.5047 -1.7245 0.0299 H 1 UNL1111111111 0.1403 25 H 3.2953 -2.3439 1.1607 H 1 UNL1111111111 0.1419 26 H -2.7708 -0.0820 -2.0430 H 1 UNL1111111111 0.1741 27 H -2.1378 -0.5832 2.1930 H 1 UNL1111111111 0.1589 28 H -4.1123 -1.1003 1.0416 H 1 UNL1111111111 0.3250 @BOND 1 1 12 1 2 1 28 1 3 2 3 1 4 2 4 1 5 2 6 1 6 2 13 1 7 3 5 1 8 3 14 1 9 3 15 1 10 4 7 ar 11 4 8 ar 12 5 9 1 13 5 16 1 14 5 17 1 15 6 18 1 16 6 19 1 17 6 20 1 18 7 10 ar 19 7 21 1 20 8 11 ar 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 12 ar 26 10 26 1 27 11 12 ar 28 11 27 1