@MOLECULE DB06709 29 28 1 SMALL USER_CHARGES @ATOM 1 O1 1.5018 -0.5118 2.3831 O.2 1 noname -0.2547 2 C1 0.6928 -0.0693 1.5392 C.2 1 noname 0.1409 3 O2 1.0084 -0.0885 0.2268 O.3 1 noname -0.2010 4 C2 -0.5934 0.4684 1.9729 C.3 1 noname 0.0220 5 C3 0.0894 0.4142 -0.7319 C.3 1 noname 0.1121 6 C4 -0.2869 -0.6999 -1.7108 C.3 1 noname 0.0169 7 C5 0.7339 1.5707 -1.4987 C.3 1 noname -0.0317 8 N1 -0.9027 -1.8050 -0.9781 N.4 1 noname 0.0081 9 C6 -1.2622 -2.8695 -1.9135 C.3 1 noname -0.0214 10 C7 -2.1052 -1.3281 -0.2970 C.3 1 noname -0.0214 11 C8 0.0435 -2.3226 0.0089 C.3 1 noname -0.0214 12 H1 -0.6319 0.4845 3.0621 H 1 noname 0.0336 13 H2 -0.7111 1.4822 1.5902 H 1 noname 0.0336 14 H3 -1.3976 -0.1600 1.5902 H 1 noname 0.0336 15 H4 -0.7752 0.7493 -0.1588 H 1 noname 0.0675 16 H5 -1.0609 -0.3095 -2.3715 H 1 noname 0.0968 17 H6 0.6383 -1.0959 -2.1296 H 1 noname 0.0968 18 H7 1.1376 2.2953 -0.7915 H 1 noname 0.0259 19 H8 1.5390 1.1872 -2.1254 H 1 noname 0.0259 20 H9 -0.0159 2.0536 -2.1254 H 1 noname 0.0259 21 H10 -1.5619 -3.7570 -1.3562 H 1 noname 0.0902 22 H11 -2.0895 -2.5379 -2.5409 H 1 noname 0.0902 23 H12 -0.4031 -3.1074 -2.5409 H 1 noname 0.0902 24 H13 -1.9591 -1.3860 0.7816 H 1 noname 0.0902 25 H14 -2.2985 -0.2940 -0.5825 H 1 noname 0.0902 26 H15 -2.9547 -1.9486 -0.5825 H 1 noname 0.0902 27 H16 -0.3300 -2.1183 1.0123 H 1 noname 0.0902 28 H17 0.1559 -3.3985 -0.1248 H 1 noname 0.0902 29 H18 1.0101 -1.8369 -0.1248 H 1 noname 0.0902 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 5 3 1 5 5 6 1 6 5 7 1 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 4 12 1 12 4 13 1 13 4 14 1 14 5 15 1 15 6 16 1 16 6 17 1 17 7 18 1 18 7 19 1 19 7 20 1 20 9 21 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1 @SUBSTRUCTURE 1 noname 1