@MOLECULE DB03109 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 1.0537 1.0000 0.3769 O.3 1 noname -0.3419 2 C1 1.7143 -0.2195 -0.0922 C.3 1 noname 0.1802 3 C2 0.5388 1.9836 -0.5779 C.3 1 noname 0.1123 4 O2 0.8101 -1.3110 -0.0052 O.3 1 noname -0.3660 5 C3 2.3252 -0.1646 -1.5229 C.3 1 noname 0.1316 6 C4 0.2408 1.4601 -2.0137 C.3 1 noname 0.1107 7 C5 -0.7173 2.6421 -0.0042 C.3 1 noname 0.0722 8 N1 3.5243 0.5071 -1.4838 N.2 1 noname -0.2250 9 C6 1.3737 0.5287 -2.5474 C.3 1 noname 0.1099 10 O3 0.0791 2.5616 -2.8951 O.3 1 noname -0.3874 11 O4 -0.3957 3.2914 1.2171 O.3 1 noname -0.3934 12 C7 4.5963 -0.0804 -1.8461 C.2 1 noname 0.0189 13 O5 2.1458 1.2278 -3.5125 O.3 1 noname -0.3878 14 O6 4.5550 -1.3335 -2.2588 O.3 1 noname -0.2660 15 C8 5.8434 0.6183 -1.8054 C.3 1 noname -0.0002 16 H1 2.5097 -0.3721 0.6373 H 1 noname 0.0944 17 H2 1.3812 2.6712 -0.6530 H 1 noname 0.0657 18 H3 0.6417 -1.5142 0.9178 H 1 noname 0.2133 19 H4 2.6021 -1.1628 -1.8623 H 1 noname 0.0634 20 H5 -0.7156 0.9374 -2.0293 H 1 noname 0.0656 21 H6 -1.0225 3.4372 -0.6845 H 1 noname 0.0591 22 H7 -1.4205 1.8531 0.2624 H 1 noname 0.0591 23 H8 0.8612 -0.2842 -3.0619 H 1 noname 0.0653 24 H9 -0.0389 3.3657 -2.3840 H 1 noname 0.2106 25 H10 -0.2178 2.6327 1.8925 H 1 noname 0.2101 26 H11 2.7758 1.7983 -3.0661 H 1 noname 0.2106 27 H12 4.5357 -1.9201 -1.4991 H 1 noname 0.2195 28 H13 6.1347 0.7815 -0.7679 H 1 noname 0.0317 29 H14 6.6080 0.0265 -2.3087 H 1 noname 0.0317 30 H15 5.7380 1.5794 -2.3087 H 1 noname 0.0317 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 5 8 1 8 5 9 1 9 6 10 1 10 6 9 1 11 7 11 1 12 8 12 2 13 9 13 1 14 12 14 1 15 12 15 1 16 2 16 1 17 3 17 1 18 4 18 1 19 5 19 1 20 6 20 1 21 7 21 1 22 7 22 1 23 9 23 1 24 10 24 1 25 11 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 15 29 1 30 15 30 1 @SUBSTRUCTURE 1 noname 1