@MOLECULE FDBF04054 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 C1 11.8760 -4.5190 -1.7160 C.3 1 FRG1 -0.0469 2 N1 10.0250 -4.8140 -0.1940 N.am 1 FRG1 -0.3130 3 C2 9.2100 -5.5480 0.5880 C.2 1 FRG1 0.2130 4 O3 9.5000 -6.6450 1.0390 O.2 1 FRG1 -0.2758 5 C1 11.3610 -5.2960 -0.4850 C.3 1 FRG1 0.0175 6 C1 12.2220 -5.0160 0.7650 C.3 1 FRG1 -0.0469 7 C1 7.8780 -4.9230 0.8880 C.3 1 FRG1 0.0211 8 C1 8.0350 -3.8480 1.9830 C.3 1 FRG1 -0.0570 9 H 11.2564 -4.7375 -2.5605 H 1 FRG1 0.0247 10 H 12.8831 -4.8123 -1.9272 H 1 FRG1 0.0247 11 H 11.8454 -3.4688 -1.5133 H 1 FRG1 0.0247 12 H 9.7156 -3.9563 -0.5653 H 1 FRG1 0.1489 13 H 11.3920 -6.3428 -0.7046 H 1 FRG1 0.0493 14 H 12.1949 -3.9702 0.9898 H 1 FRG1 0.0247 15 H 13.2321 -5.3143 0.5764 H 1 FRG1 0.0247 16 H 11.8358 -5.5694 1.5954 H 1 FRG1 0.0247 17 H 7.2004 -5.6784 1.2274 H 1 FRG1 0.0356 18 H 7.4959 -4.4661 -0.0009 H 1 FRG1 0.0356 19 H 8.4170 -4.3000 2.8744 H 1 FRG1 0.0234 20 H 7.0825 -3.4054 2.1874 H 1 FRG1 0.0234 21 H 8.7144 -3.0929 1.6467 H 1 FRG1 0.0234 @BOND 1 1 5 1 2 5 2 1 3 5 6 1 4 2 3 am 5 3 7 1 6 3 4 2 7 7 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 5 13 1 13 6 14 1 14 6 15 1 15 6 16 1 16 7 17 1 17 7 18 1 18 8 19 1 19 8 20 1 20 8 21 1