@MOLECULE tosiben 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1031 1.1863 0.3343 O.3 1 UNL1111111111 -0.3876 2 O 2.1553 -0.1098 -0.5606 O.3 1 UNL1111111111 -0.3941 3 O -3.7129 -0.7347 0.1958 O.3 1 UNL1111111111 -0.5564 4 O -2.6285 0.7359 1.4587 O.2 1 UNL1111111111 -0.4843 5 O -0.7028 1.7600 -1.7616 O.2 1 UNL1111111111 -0.4642 6 O 2.6571 -0.7985 1.5297 O.2 1 UNL1111111111 -0.4571 7 C -0.1826 -0.1339 -0.0272 C.ar 1 UNL1111111111 0.2387 8 C -1.3839 -0.8345 0.1024 C.ar 1 UNL1111111111 -0.1757 9 C 0.9692 -0.8036 -0.4622 C.ar 1 UNL1111111111 0.1412 10 C -1.4349 -2.1778 -0.2852 C.ar 1 UNL1111111111 -0.0634 11 C 0.9194 -2.1431 -0.8389 C.ar 1 UNL1111111111 -0.1265 12 C -0.2989 -2.8198 -0.7722 C.ar 1 UNL1111111111 -0.1686 13 C -2.5663 -0.1699 0.6696 C.2 1 UNL1111111111 0.6541 14 C -0.4041 2.1073 -0.6562 C.2 1 UNL1111111111 0.6285 15 C 2.9672 -0.1773 0.5547 C.2 1 UNL1111111111 0.6191 16 C -0.2984 3.4705 -0.0827 C.3 1 UNL1111111111 -0.5044 17 C 4.2070 0.5972 0.2907 C.3 1 UNL1111111111 -0.5105 18 H -2.3815 -2.7200 -0.2061 H 1 UNL1111111111 0.1781 19 H 1.8238 -2.6484 -1.1750 H 1 UNL1111111111 0.1711 20 H -0.3595 -3.8609 -1.0899 H 1 UNL1111111111 0.1652 21 H -1.0240 3.6074 0.7406 H 1 UNL1111111111 0.2018 22 H -0.5092 4.2375 -0.8450 H 1 UNL1111111111 0.1873 23 H 0.7001 3.6647 0.3393 H 1 UNL1111111111 0.1873 24 H 4.7470 0.2019 -0.5847 H 1 UNL1111111111 0.1888 25 H 4.8941 0.5619 1.1519 H 1 UNL1111111111 0.1882 26 H 3.9871 1.6569 0.0841 H 1 UNL1111111111 0.1888 27 H -4.5306 -0.3098 0.5569 H 1 UNL1111111111 0.3547 @BOND 1 1 7 1 2 1 14 1 3 2 9 1 4 2 15 1 5 3 13 1 6 3 27 1 7 4 13 2 8 5 14 2 9 6 15 2 10 7 8 ar 11 7 9 ar 12 8 10 ar 13 8 13 1 14 9 11 ar 15 10 12 ar 16 10 18 1 17 11 12 ar 18 11 19 1 19 12 20 1 20 14 16 1 21 15 17 1 22 16 21 1 23 16 22 1 24 16 23 1 25 17 24 1 26 17 25 1 27 17 26 1