@MOLECULE FDBF06778 13 13 0 0 0 SMALL GASTEIGER @ATOM 1 C1 3.1960 -3.8660 -0.0540 C.2 1 FRG1 0.1145 2 S2 4.9280 -4.2050 -0.0730 S.3 1 FRG1 -0.0356 3 C3 4.9550 -5.9820 0.3260 C.3 1 FRG1 0.0507 4 C4 3.8470 -6.6470 -0.5080 C.3 1 FRG1 0.1284 5 O5 2.5810 -6.1870 -0.0510 O.2 1 FRG1 -0.3925 6 N6 2.3300 -4.8120 -0.0570 N.2 1 FRG1 -0.0848 7 O11 5.2820 -4.0200 -1.4370 O.3 1 FRG1 -0.3345 8 H 2.8733 -2.8859 -0.0402 H 1 FRG1 0.0951 9 H 4.7670 -6.1273 1.3693 H 1 FRG1 0.0428 10 H 5.9101 -6.4092 0.1019 H 1 FRG1 0.0428 11 H 3.9036 -7.7097 -0.3967 H 1 FRG1 0.0732 12 H 3.9715 -6.3938 -1.5401 H 1 FRG1 0.0732 13 H 5.2676 -3.0736 -1.6493 H 1 FRG1 0.2267 @BOND 1 1 2 1 2 1 6 2 3 2 3 1 4 2 7 1 5 3 4 1 6 4 5 1 7 5 6 1 8 1 8 1 9 3 9 1 10 3 10 1 11 4 11 1 12 4 12 1 13 7 13 1