@MOLECULE 2-methyl-1-phenylpropan-2-ylacetat 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2491 -0.6741 -0.1168 O.3 1 UNL1111111111 -0.4807 2 O -2.6681 1.4727 0.4440 O.2 1 UNL1111111111 -0.5299 3 C -0.8791 -0.4454 -0.5112 C.3 1 UNL1111111111 0.3657 4 C -0.1005 0.0372 0.7286 C.3 1 UNL1111111111 -0.3682 5 C -0.4611 -1.8506 -0.9535 C.3 1 UNL1111111111 -0.4837 6 C -0.8420 0.5463 -1.6663 C.3 1 UNL1111111111 -0.5104 7 C 1.3710 0.0927 0.4715 C.ar 1 UNL1111111111 0.0298 8 C 2.1796 -1.0053 0.7760 C.ar 1 UNL1111111111 -0.1807 9 C 1.9445 1.2456 -0.0708 C.ar 1 UNL1111111111 -0.1755 10 C -3.0353 0.3329 0.3152 C.2 1 UNL1111111111 0.6504 11 C 3.5489 -0.9561 0.5265 C.ar 1 UNL1111111111 -0.1369 12 C 3.3140 1.2909 -0.3198 C.ar 1 UNL1111111111 -0.1351 13 C 4.1173 0.1906 -0.0246 C.ar 1 UNL1111111111 -0.1660 14 C -4.3995 -0.2036 0.6056 C.3 1 UNL1111111111 -0.5159 15 H -0.3330 -0.6270 1.5855 H 1 UNL1111111111 0.1632 16 H -0.4803 1.0384 1.0364 H 1 UNL1111111111 0.1873 17 H -1.0814 -2.2045 -1.7855 H 1 UNL1111111111 0.1605 18 H -0.5704 -2.5747 -0.1377 H 1 UNL1111111111 0.1591 19 H 0.5855 -1.8609 -1.2800 H 1 UNL1111111111 0.1646 20 H -1.1296 1.5574 -1.3430 H 1 UNL1111111111 0.1786 21 H -1.5305 0.2523 -2.4666 H 1 UNL1111111111 0.1591 22 H 0.1646 0.6128 -2.0968 H 1 UNL1111111111 0.1636 23 H 1.7391 -1.9007 1.2087 H 1 UNL1111111111 0.1517 24 H 1.3197 2.1089 -0.2964 H 1 UNL1111111111 0.1584 25 H 4.1752 -1.8135 0.7640 H 1 UNL1111111111 0.1463 26 H 3.7582 2.1890 -0.7439 H 1 UNL1111111111 0.1477 27 H 5.1859 0.2284 -0.2204 H 1 UNL1111111111 0.1471 28 H -4.3609 -0.9984 1.3644 H 1 UNL1111111111 0.1832 29 H -4.8562 -0.6413 -0.2949 H 1 UNL1111111111 0.1829 30 H -5.0621 0.5942 0.9738 H 1 UNL1111111111 0.1836 @BOND 1 1 3 1 2 1 10 1 3 2 10 2 4 3 4 1 5 3 5 1 6 3 6 1 7 4 7 1 8 4 15 1 9 4 16 1 10 5 17 1 11 5 18 1 12 5 19 1 13 6 20 1 14 6 21 1 15 6 22 1 16 7 8 ar 17 7 9 ar 18 8 11 ar 19 8 23 1 20 9 12 ar 21 9 24 1 22 10 14 1 23 11 13 ar 24 11 25 1 25 12 13 ar 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1