@MOLECULE 109374157 30 30 1 SMALL USER_CHARGES @ATOM 1 N1 -0.1152 0.0701 0.2034 N.3 1 noname 0.0000 2 C1 1.3308 -0.1734 -0.1180 C.3 1 noname 0.0000 3 C2 -0.7317 1.4054 -0.0977 C.3 1 noname 0.0000 4 C3 2.2180 1.1009 -0.2117 C.3 1 noname 0.0000 5 C4 -0.0078 2.2458 -1.1892 C.3 1 noname 0.0000 6 C5 1.5434 2.2554 -1.0167 C.3 1 noname 0.0000 7 C6 -0.3699 -0.2806 1.5997 C.3 1 noname 0.0000 8 C7 -0.8303 -0.9209 -0.5991 C.3 1 noname 0.0000 9 C8 3.5576 0.7431 -0.8586 C.3 1 noname 0.0000 10 C9 -0.3637 1.6992 -2.5732 C.3 1 noname 0.0000 11 H1 1.4064 -0.7379 -1.0473 H 1 noname 0.0000 12 H2 -1.7762 1.2686 -0.3777 H 1 noname 0.0000 13 H3 -0.6466 1.9830 0.8228 H 1 noname 0.0000 14 H4 1.7528 -0.8470 0.6279 H 1 noname 0.0000 15 H5 -0.3903 3.2665 -1.1900 H 1 noname 0.0000 16 H6 2.3455 1.4661 0.8073 H 1 noname 0.0000 17 H7 1.8576 3.2155 -0.6074 H 1 noname 0.0000 18 H8 1.9318 2.2144 -2.0343 H 1 noname 0.0000 19 H9 -1.9024 -0.8203 -0.4300 H 1 noname 0.0000 20 H10 -0.6123 -0.7594 -1.6548 H 1 noname 0.0000 21 H11 -0.5094 -1.9219 -0.3109 H 1 noname 0.0000 22 H12 -1.4199 -0.1038 1.8330 H 1 noname 0.0000 23 H13 -0.1345 -1.3329 1.7587 H 1 noname 0.0000 24 H14 0.2548 0.3335 2.2483 H 1 noname 0.0000 25 H15 4.1793 1.6360 -0.9242 H 1 noname 0.0000 26 H16 3.3837 0.3471 -1.8591 H 1 noname 0.0000 27 H17 4.0642 -0.0086 -0.2532 H 1 noname 0.0000 28 H18 0.1433 2.2879 -3.3377 H 1 noname 0.0000 29 H19 -1.4417 1.7614 -2.7222 H 1 noname 0.0000 30 H20 -0.0464 0.6590 -2.6456 H 1 noname 0.0000 @BOND 1 1 2 1 2 1 3 1 3 1 7 1 4 1 8 1 5 2 4 1 6 2 11 1 7 2 14 1 8 3 5 1 9 3 12 1 10 3 13 1 11 4 6 1 12 4 9 1 13 4 16 1 14 5 6 1 15 5 10 1 16 5 15 1 17 6 17 1 18 6 18 1 19 7 22 1 20 7 23 1 21 7 24 1 22 8 19 1 23 8 20 1 24 8 21 1 25 9 25 1 26 9 26 1 27 9 27 1 28 10 28 1 29 10 29 1 30 10 30 1 @SUBSTRUCTURE 1 noname 1