@MOLECULE FDBF02005 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O1 4.0700 2.5760 -0.5250 O.2 1 FRG1 -0.2758 2 C2 3.6750 2.0220 0.4970 C.2 1 FRG1 0.2130 3 N3 4.4730 1.3060 1.3780 N.am 1 FRG1 -0.3156 4 C1 -0.1740 2.7110 0.4270 C.3 1 FRG1 -0.0648 5 C1 2.2190 2.0210 0.9350 C.3 1 FRG1 0.0237 6 C1 5.8940 1.1270 1.1900 C.3 1 FRG1 0.0088 7 C5 6.6710 2.3490 1.6340 C.3 1 FRG1 -0.0495 8 C1 1.2940 2.7970 -0.0020 C.3 1 FRG1 -0.0476 9 H 4.0503 0.9005 2.1693 H 1 FRG1 0.1487 10 H -0.7789 3.2679 -0.2577 H 1 FRG1 0.0230 11 H -0.2825 3.1175 1.4108 H 1 FRG1 0.0230 12 H -0.4861 1.6875 0.4275 H 1 FRG1 0.0230 13 H 1.8806 1.0069 0.9799 H 1 FRG1 0.0358 14 H 2.1790 2.5078 1.8870 H 1 FRG1 0.0358 15 H 6.0879 0.9497 0.1528 H 1 FRG1 0.0459 16 H 6.2090 0.2947 1.7841 H 1 FRG1 0.0459 17 H 6.3702 3.1942 1.0509 H 1 FRG1 0.0245 18 H 7.7178 2.1753 1.4967 H 1 FRG1 0.0245 19 H 6.4739 2.5407 2.6681 H 1 FRG1 0.0245 20 H 1.5916 3.8248 -0.0058 H 1 FRG1 0.0267 21 H 1.3761 2.3626 -0.9764 H 1 FRG1 0.0267 @BOND 1 1 2 2 2 8 4 1 3 8 5 1 4 2 5 1 5 2 3 am 6 6 3 1 7 6 7 1 8 3 9 1 9 4 10 1 10 4 11 1 11 4 12 1 12 5 13 1 13 5 14 1 14 6 15 1 15 6 16 1 16 7 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1