@MOLECULE FDBF00661 20 21 0 0 0 SMALL GASTEIGER @ATOM 1 O1 -3.4770 2.2390 -1.5300 O.2 1 FRG1 -0.2651 2 C2 -4.4070 1.8720 -0.8180 C.ar 1 FRG1 0.2809 3 N3 -5.3670 2.7450 -0.3360 N.ar 1 FRG1 -0.1958 4 C4 -6.3230 2.2810 0.4150 C.ar 1 FRG1 0.1083 5 N5 -6.4890 0.9690 0.7910 N.ar 1 FRG1 -0.3430 6 C6 -5.5670 0.0160 0.3520 C.ar 1 FRG1 0.0530 7 C7 -4.5020 0.4290 -0.4610 C.ar 1 FRG1 0.0645 8 C8 -3.5590 -0.4930 -0.9220 C.ar 1 FRG1 -0.0474 9 C9 -3.6810 -1.8370 -0.5670 C.ar 1 FRG1 -0.0609 10 C10 -4.7390 -2.2550 0.2420 C.ar 1 FRG1 -0.0598 11 C11 -5.6800 -1.3320 0.7010 C.ar 1 FRG1 -0.0376 12 C17 -7.3520 3.2620 0.9230 C.3 1 FRG1 -0.0063 13 H -7.2468 0.7050 1.3614 H 1 FRG1 0.1670 14 H -2.7779 -0.1824 -1.5207 H 1 FRG1 0.0626 15 H -2.9876 -2.5234 -0.9033 H 1 FRG1 0.0618 16 H -4.8257 -3.2500 0.5016 H 1 FRG1 0.0618 17 H -6.4603 -1.6458 1.2990 H 1 FRG1 0.0638 18 H -7.1166 4.2428 0.5658 H 1 FRG1 0.0307 19 H -7.3475 3.2615 1.9930 H 1 FRG1 0.0307 20 H -8.3211 2.9770 0.5703 H 1 FRG1 0.0307 @BOND 1 1 2 2 2 2 3 ar 3 2 7 ar 4 3 4 ar 5 4 5 ar 6 4 12 1 7 5 6 ar 8 6 7 ar 9 6 11 ar 10 7 8 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 5 13 1 15 8 14 1 16 9 15 1 17 10 16 1 18 11 17 1 19 12 18 1 20 12 19 1 21 12 20 1