@MOLECULE fenbufen 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4679 -2.0745 -0.3197 O.2 1 UNL1111111111 -0.4554 2 O 6.7615 0.2990 0.0452 O.3 1 UNL1111111111 -0.5659 3 O 5.2753 1.9336 0.3287 O.2 1 UNL1111111111 -0.5171 4 C 0.6449 -0.6174 -0.0950 C.ar 1 UNL1111111111 -0.1775 5 C -2.1026 -0.1312 -0.0246 C.ar 1 UNL1111111111 0.0360 6 C 3.0859 0.1801 0.0378 C.3 1 UNL1111111111 -0.3641 7 C 2.0903 -0.9397 -0.1415 C.2 1 UNL1111111111 0.4719 8 C -3.5469 0.1287 0.0132 C.ar 1 UNL1111111111 -0.0338 9 C 0.1700 0.6742 0.1409 C.ar 1 UNL1111111111 -0.0933 10 C -0.2599 -1.6645 -0.2953 C.ar 1 UNL1111111111 -0.0660 11 C -1.1990 0.9176 0.1740 C.ar 1 UNL1111111111 -0.1841 12 C -1.6297 -1.4249 -0.2589 C.ar 1 UNL1111111111 -0.1875 13 C 4.5144 -0.3493 -0.0557 C.3 1 UNL1111111111 -0.3254 14 C -4.1120 1.0616 -0.8600 C.ar 1 UNL1111111111 -0.1501 15 C -4.3557 -0.5569 0.9230 C.ar 1 UNL1111111111 -0.1487 16 C -5.4828 1.3047 -0.8231 C.ar 1 UNL1111111111 -0.1407 17 C -5.7251 -0.3057 0.9600 C.ar 1 UNL1111111111 -0.1409 18 C 5.4879 0.7661 0.1296 C.2 1 UNL1111111111 0.6458 19 C -6.2894 0.6232 0.0870 C.ar 1 UNL1111111111 -0.1449 20 H 2.9164 0.9705 -0.7259 H 1 UNL1111111111 0.1819 21 H 2.9248 0.6833 1.0167 H 1 UNL1111111111 0.1824 22 H 0.8604 1.5026 0.3018 H 1 UNL1111111111 0.1566 23 H 0.1177 -2.6750 -0.4807 H 1 UNL1111111111 0.1741 24 H -1.5720 1.9236 0.3615 H 1 UNL1111111111 0.1630 25 H -2.3337 -2.2404 -0.4187 H 1 UNL1111111111 0.1645 26 H 4.6924 -1.1539 0.6962 H 1 UNL1111111111 0.1979 27 H 4.6874 -0.8630 -1.0306 H 1 UNL1111111111 0.1974 28 H -3.4809 1.5910 -1.5717 H 1 UNL1111111111 0.1564 29 H -3.9130 -1.2809 1.6053 H 1 UNL1111111111 0.1575 30 H -5.9239 2.0282 -1.5064 H 1 UNL1111111111 0.1517 31 H -6.3549 -0.8366 1.6717 H 1 UNL1111111111 0.1519 32 H -7.3599 0.8163 0.1158 H 1 UNL1111111111 0.1500 33 H 7.4507 0.9976 0.1611 H 1 UNL1111111111 0.3565 @BOND 1 1 7 2 2 2 18 1 3 2 33 1 4 3 18 2 5 4 7 1 6 4 9 ar 7 4 10 ar 8 5 8 1 9 5 11 ar 10 5 12 ar 11 6 7 1 12 6 13 1 13 6 20 1 14 6 21 1 15 8 14 ar 16 8 15 ar 17 9 11 ar 18 9 22 1 19 10 12 ar 20 10 23 1 21 11 24 1 22 12 25 1 23 13 18 1 24 13 26 1 25 13 27 1 26 14 16 ar 27 14 28 1 28 15 17 ar 29 15 29 1 30 16 19 ar 31 16 30 1 32 17 19 ar 33 17 31 1 34 19 32 1