@MOLECULE FDBF00536 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 C1 1.2780 -0.3790 -0.1090 C.ar 1 FRG1 -0.0183 2 C2 1.4960 -1.1880 -1.2270 C.ar 1 FRG1 -0.0563 3 C3 2.6570 -1.9560 -1.3220 C.ar 1 FRG1 -0.0614 4 C4 3.6040 -1.9180 -0.2990 C.ar 1 FRG1 -0.0617 5 C5 3.3900 -1.1120 0.8190 C.ar 1 FRG1 -0.0614 6 C6 2.2300 -0.3440 0.9140 C.ar 1 FRG1 -0.0563 7 O1 -0.1230 1.0450 2.3890 O.2 1 FRG1 -0.2729 8 C2 -0.0450 1.4070 1.2210 C.2 1 FRG1 0.2453 9 N3 -0.0000 2.7130 0.7980 N.am 1 FRG1 -0.2384 10 C4 0.0520 2.7940 -0.5700 C.2 1 FRG1 0.3068 11 O5 0.0900 3.8140 -1.2440 O.2 1 FRG1 -0.2524 12 N6 0.0500 1.4870 -1.0510 N.am 1 FRG1 -0.2838 13 C7 0.0040 0.4650 -0.0050 C.3 1 FRG1 0.1265 14 H 0.7962 -1.2176 -1.9849 H 1 FRG1 0.0621 15 H 2.8149 -2.5522 -2.1494 H 1 FRG1 0.0618 16 H 4.4628 -2.4860 -0.3691 H 1 FRG1 0.0618 17 H 4.0905 -1.0840 1.5763 H 1 FRG1 0.0618 18 H 2.0739 0.2519 1.7419 H 1 FRG1 0.0621 19 H -0.0045 3.4918 1.4002 H 1 FRG1 0.1591 20 H 0.0772 1.2698 -2.0109 H 1 FRG1 0.1513 21 H -0.7874 -0.2550 -0.0143 H 1 FRG1 0.0646 @BOND 1 3 2 ar 2 3 4 ar 3 11 10 2 4 2 1 ar 5 12 10 am 6 12 13 1 7 10 9 am 8 4 5 ar 9 1 13 1 10 1 6 ar 11 13 8 1 12 9 8 am 13 5 6 ar 14 8 7 2 15 2 14 1 16 3 15 1 17 4 16 1 18 5 17 1 19 6 18 1 20 9 19 1 21 12 20 1 22 13 21 1