@MOLECULE FDBD02223 26 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0173 1.4248 0.0099 C.3 1 UNK 0.0791 2 O 0.0021 -0.0041 0.0020 O.3 1 UNK -0.4890 3 C1 0.6261 -0.6187 1.0420 C.ar 1 UNK 0.1936 4 C2 1.2020 0.1366 2.0507 C.ar 1 UNK -0.0133 5 C3 1.8361 -0.4898 3.1075 C.ar 1 UNK -0.0579 6 C4 1.8976 -1.8702 3.1620 C.ar 1 UNK -0.0552 7 C5 1.3259 -2.6309 2.1601 C.ar 1 UNK 0.0158 8 C6 0.6831 -2.0096 1.0989 C.ar 1 UNK 0.2815 9 N 0.1021 -2.7787 0.0818 N.am 1 UNK 0.0642 10 C7 0.7145 -3.7242 -0.6624 C.2 1 UNK 0.6340 11 O1 1.8785 -4.0690 -0.5743 O.2 1 UNK -0.1751 12 O2 -0.1985 -4.2148 -1.5181 O.3 1 UNK -0.3169 13 C8 -1.3719 -3.5836 -1.3129 C.2 1 UNK 0.4607 14 N1 -1.2295 -2.7190 -0.3553 N.2 1 UNK 0.0896 15 O3 -2.5193 -3.8184 -1.9945 O.2 1 UNK -0.4491 16 C9 -3.6618 -3.0422 -1.6283 C.3 1 UNK 0.0836 17 H -0.5348 1.7793 -0.8570 H 1 UNK 0.0660 18 H1 0.9865 1.7952 0.0024 H 1 UNK 0.0660 19 H2 -0.5182 1.7698 0.8902 H 1 UNK 0.0660 20 H3 1.1576 1.1670 2.0132 H 1 UNK 0.0656 21 H4 2.2648 0.0744 3.8578 H 1 UNK 0.0619 22 H5 2.3717 -2.3334 3.9530 H 1 UNK 0.0620 23 H6 1.3770 -3.6608 2.2011 H 1 UNK 0.0685 24 H7 -4.4947 -3.3238 -2.2381 H 1 UNK 0.0662 25 H8 -3.4487 -2.0037 -1.7731 H 1 UNK 0.0662 26 H9 -3.8975 -3.2179 -0.5995 H 1 UNK 0.0662 @BOND 1 1 2 1 2 2 3 1 3 3 8 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 7 8 ar 9 8 9 1 10 9 14 1 11 9 10 am 12 10 11 2 13 10 12 1 14 12 13 1 15 13 14 2 16 13 15 1 17 15 16 1 18 1 17 1 19 1 18 1 20 1 19 1 21 4 20 1 22 5 21 1 23 6 22 1 24 7 23 1 25 16 24 1 26 16 25 1 27 16 26 1