@MOLECULE FDBF01715 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 C1 2.5320 1.0520 -0.7220 C.3 1 FRG1 0.0788 2 O1 3.6670 1.6420 -0.1030 O.3 1 FRG1 -0.4951 3 C1 4.7950 0.8680 -0.0130 C.ar 1 FRG1 0.1201 4 C2 5.0540 -0.1030 -0.9800 C.ar 1 FRG1 -0.0191 5 C3 6.2030 -0.8890 -0.8900 C.ar 1 FRG1 -0.0434 6 C4 7.0930 -0.7040 0.1680 C.ar 1 FRG1 0.0649 7 C5 6.8340 0.2680 1.1350 C.ar 1 FRG1 -0.0434 8 C6 5.6850 1.0540 1.0450 C.ar 1 FRG1 -0.0191 9 N1 9.1990 -1.3610 1.3070 N.pl3 1 FRG1 -0.2466 10 N4 8.5360 -2.4390 -0.6570 N.2 1 FRG1 -0.0994 11 C5 8.2910 -1.5220 0.2630 C.cat 1 FRG1 0.3081 12 H 1.7245 1.7540 -0.7293 H 1 FRG1 0.0660 13 H 2.2410 0.1793 -0.1755 H 1 FRG1 0.0660 14 H 2.7759 0.7784 -1.7273 H 1 FRG1 0.0660 15 H 4.3953 -0.2401 -1.7625 H 1 FRG1 0.0654 16 H 6.3945 -1.6071 -1.6060 H 1 FRG1 0.0627 17 H 7.4929 0.4055 1.9173 H 1 FRG1 0.0627 18 H 5.4935 1.7725 1.7606 H 1 FRG1 0.0654 19 H 10.0038 -1.9264 1.3510 H 1 FRG1 0.2884 20 H 9.0360 -0.6818 2.0008 H 1 FRG1 0.2884 21 H 7.9066 -2.5684 -1.4029 H 1 FRG1 0.3633 @BOND 1 4 5 ar 2 4 3 ar 3 5 6 ar 4 1 2 1 5 10 11 2 6 2 3 1 7 3 8 ar 8 6 11 1 9 6 7 ar 10 11 9 1 11 8 7 ar 12 1 12 1 13 1 13 1 14 1 14 1 15 4 15 1 16 5 16 1 17 7 17 1 18 8 18 1 19 9 19 1 20 9 20 1 21 10 21 1