@MOLECULE FDBF00535 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -1.2800 -0.3740 -0.0300 C.ar 1 FRG1 -0.0183 2 C2 -1.5010 -1.3400 0.9520 C.ar 1 FRG1 -0.0563 3 C3 -2.6680 -2.1030 0.9300 C.ar 1 FRG1 -0.0614 4 C4 -3.6140 -1.9010 -0.0750 C.ar 1 FRG1 -0.0617 5 C5 -3.3930 -0.9360 -1.0580 C.ar 1 FRG1 -0.0614 6 C6 -2.2260 -0.1730 -1.0350 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 -0.8006 -1.4900 1.6949 H 1 FRG1 0.0621 15 H -2.8317 -2.8169 1.6570 H 1 FRG1 0.0618 16 H -4.4777 -2.4656 -0.0914 H 1 FRG1 0.0618 17 H -4.0928 -0.7869 -1.8017 H 1 FRG1 0.0618 18 H -2.0622 0.5408 -1.7621 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 0.7949 -0.2534 -0.0630 H 1 FRG1 0.0646 @BOND 1 11 10 2 2 5 6 ar 3 5 4 ar 4 12 10 am 5 12 13 1 6 6 1 ar 7 10 9 am 8 4 3 ar 9 1 13 1 10 1 2 ar 11 13 8 1 12 9 8 am 13 3 2 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