@MOLECULE DB01064 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7709 -0.9898 0.2397 O.3 1 noname -0.2759 2 C1 0.0028 0.1012 0.0569 C.2 1 noname 0.0254 3 C2 1.3866 -0.0257 0.0239 C.2 1 noname 0.0226 4 C3 -0.5843 1.3516 -0.0982 C.2 1 noname -0.0120 5 O2 1.9568 -1.2400 0.1745 O.3 1 noname -0.2762 6 C4 2.1833 1.0977 -0.1643 C.2 1 noname -0.0209 7 C5 0.2123 2.4750 -0.2864 C.2 1 noname -0.0457 8 C6 1.5961 2.3480 -0.3194 C.2 1 noname -0.0521 9 C7 -0.4044 3.7883 -0.4493 C.3 1 noname 0.0916 10 O3 -0.5555 4.4013 0.8226 O.3 1 noname -0.3870 11 C8 0.4853 4.6632 -1.3347 C.3 1 noname 0.0258 12 N1 -0.1323 5.9783 -1.4978 N.3 1 noname -0.3115 13 C9 0.7179 6.8143 -2.3438 C.3 1 noname 0.0013 14 C10 0.0716 8.1906 -2.5146 C.3 1 noname -0.0500 15 C11 2.0910 6.9735 -1.6880 C.3 1 noname -0.0500 16 H1 -0.8835 -1.1485 1.1798 H 1 noname 0.2183 17 H2 -1.6695 1.4511 -0.0723 H 1 noname 0.0654 18 H3 2.0491 -1.4364 1.1097 H 1 noname 0.2183 19 H4 3.2684 0.9982 -0.1902 H 1 noname 0.0651 20 H5 2.2208 3.2290 -0.4670 H 1 noname 0.0627 21 H6 -1.4074 3.6590 -0.8559 H 1 noname 0.0665 22 H7 -0.6357 3.7230 1.4973 H 1 noname 0.2109 23 H8 1.4179 4.8341 -0.7969 H 1 noname 0.0458 24 H9 0.5033 4.2147 -2.3280 H 1 noname 0.0458 25 H10 -1.0103 6.2649 -1.0893 H 1 noname 0.1225 26 H11 0.8070 6.3090 -3.3055 H 1 noname 0.0459 27 H12 -0.1306 8.6212 -1.5339 H 1 noname 0.0246 28 H13 0.7481 8.8438 -3.0657 H 1 noname 0.0246 29 H14 -0.8631 8.0872 -3.0657 H 1 noname 0.0246 30 H15 1.9795 6.9606 -0.6038 H 1 noname 0.0246 31 H16 2.7384 6.1526 -1.9965 H 1 noname 0.0246 32 H17 2.5334 7.9207 -1.9965 H 1 noname 0.0246 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 6 8 2 8 7 9 1 9 7 8 1 10 9 10 1 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 8 20 1 21 9 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 32 15 32 1 @SUBSTRUCTURE 1 noname 1