@MOLECULE FDBF00702 16 16 0 0 0 SMALL GASTEIGER @ATOM 1 N1 5.8560 -6.1620 2.9920 N.pl3 1 FRG1 -0.2385 2 C2 4.4180 -6.3390 2.8640 C.3 1 FRG1 0.0609 3 C3 3.9070 -7.3780 3.8810 C.3 1 FRG1 0.0103 4 C4 4.5350 -7.0820 5.2540 C.3 1 FRG1 0.1070 5 N5 5.9600 -6.8810 5.1440 N.2 1 FRG1 -0.1174 6 C6 6.5140 -6.4510 4.0800 C.cat 1 FRG1 0.3622 7 N7 7.8030 -6.2870 4.0800 N.pl3 1 FRG1 -0.2518 8 H 6.3557 -5.8075 2.2214 H 1 FRG1 0.2444 9 H 4.1918 -6.6754 1.8738 H 1 FRG1 0.0633 10 H 3.9367 -5.4028 3.0557 H 1 FRG1 0.0633 11 H 4.1868 -8.3604 3.5623 H 1 FRG1 0.0326 12 H 2.8407 -7.3232 3.9506 H 1 FRG1 0.0326 13 H 4.3485 -7.9078 5.9084 H 1 FRG1 0.0694 14 H 4.0956 -6.1867 5.6415 H 1 FRG1 0.0694 15 H 8.2571 -5.9561 3.2716 H 1 FRG1 0.2412 16 H 8.3255 -6.4937 4.8884 H 1 FRG1 0.2412 @BOND 1 1 2 1 2 1 6 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 2 7 6 7 1 8 1 8 1 9 2 9 1 10 2 10 1 11 3 11 1 12 3 12 1 13 4 13 1 14 4 14 1 15 7 15 1 16 7 16 1