@MOLECULE dmbp 32 33 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.9145 -1.0293 -0.4128 O.3 1 UNL1111 -0.3182 2 O -4.6959 -1.5604 -0.0405 O.3 1 UNL1111 -0.3146 3 O -0.0805 2.7440 0.1316 O.2 1 UNL1111 -0.4411 4 C 1.2645 0.8273 -0.0374 C.ar 1 UNL1111 -0.2047 5 C -1.2701 0.7246 0.0208 C.ar 1 UNL1111 -0.2461 6 C -0.0387 1.5385 0.0448 C.2 1 UNL1111 0.4852 7 C 1.8440 0.5937 -1.2881 C.ar 1 UNL1111 -0.0535 8 C -1.2301 -0.6689 -0.1207 C.ar 1 UNL1111 -0.0229 9 C 1.9115 0.4380 1.1313 C.ar 1 UNL1111 -0.0473 10 C -2.4981 1.3796 0.1433 C.ar 1 UNL1111 0.0032 11 C 3.7195 -0.4260 -0.1850 C.ar 1 UNL1111 0.2646 12 C -3.6295 -0.7254 -0.0104 C.ar 1 UNL1111 0.2946 13 C 3.0740 -0.0394 -1.3730 C.ar 1 UNL1111 -0.2561 14 C -2.4031 -1.4038 -0.1378 C.ar 1 UNL1111 -0.2845 15 C 3.1505 -0.1981 1.0681 C.ar 1 UNL1111 -0.3045 16 C -3.6904 0.6624 0.1297 C.ar 1 UNL1111 -0.3368 17 C 5.6890 -1.3965 0.7204 C.3 1 UNL1111 -0.2029 18 C -5.9879 -0.9803 0.0872 C.3 1 UNL1111 -0.2028 19 H 1.3303 0.9150 -2.1959 H 1 UNL1111 0.1606 20 H -0.2680 -1.1794 -0.2189 H 1 UNL1111 0.1640 21 H 1.4531 0.6335 2.1020 H 1 UNL1111 0.1568 22 H -2.5158 2.4698 0.2508 H 1 UNL1111 0.1713 23 H 3.5487 -0.2339 -2.3311 H 1 UNL1111 0.1739 24 H -2.3959 -2.4850 -0.2466 H 1 UNL1111 0.1755 25 H 3.6507 -0.4993 1.9811 H 1 UNL1111 0.1637 26 H -4.6366 1.1816 0.2261 H 1 UNL1111 0.1659 27 H 5.1804 -2.1684 1.3059 H 1 UNL1111 0.1341 28 H 5.9320 -0.5215 1.3315 H 1 UNL1111 0.1372 29 H 6.5983 -1.8031 0.2559 H 1 UNL1111 0.1550 30 H -6.1965 -0.3049 -0.7485 H 1 UNL1111 0.1375 31 H -6.0960 -0.4736 1.0513 H 1 UNL1111 0.1372 32 H -6.6422 -1.8622 0.0414 H 1 UNL1111 0.1557 @BOND 1 1 11 1 2 1 17 1 3 2 12 1 4 2 18 1 5 3 6 2 6 4 6 1 7 4 7 ar 8 4 9 ar 9 5 6 1 10 5 8 ar 11 5 10 ar 12 7 13 ar 13 7 19 1 14 8 14 ar 15 8 20 1 16 9 15 ar 17 9 21 1 18 10 16 ar 19 10 22 1 20 11 13 ar 21 11 15 ar 22 12 14 ar 23 12 16 ar 24 13 23 1 25 14 24 1 26 15 25 1 27 16 26 1 28 17 27 1 29 17 28 1 30 17 29 1 31 18 30 1 32 18 31 1 33 18 32 1