@MOLECULE FDBF01761 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O1 2.2990 3.8780 0.3010 O.2 1 FRG1 -0.2970 2 C2 2.7470 2.7680 0.0460 C.2 1 FRG1 0.1389 3 C3 1.9030 1.5210 -0.1220 C.3 1 FRG1 0.0199 4 C4 2.9680 0.4210 -0.0000 C.3 1 FRG1 -0.0169 5 C5 4.2150 1.0450 -0.6410 C.3 1 FRG1 0.0625 6 C6 4.2150 2.4900 -0.1500 C.3 1 FRG1 0.0322 7 O12 5.3810 0.3680 -0.1990 O.3 1 FRG1 -0.3913 8 C1 0.8050 1.4160 0.9230 C.3 1 FRG1 -0.0434 9 C1 -0.4110 2.2640 0.5470 C.3 1 FRG1 -0.0527 10 C1 -1.4970 2.1830 1.6220 C.3 1 FRG1 -0.0559 11 C1 -2.7440 3.0100 1.2930 C.3 1 FRG1 -0.0653 12 H 1.3521 1.4816 -1.0385 H 1 FRG1 0.0378 13 H 3.1484 0.1774 1.0262 H 1 FRG1 0.0297 14 H 2.6741 -0.4933 -0.4718 H 1 FRG1 0.0297 15 H 4.2056 0.9809 -1.7090 H 1 FRG1 0.0597 16 H 4.6387 3.1467 -0.8808 H 1 FRG1 0.0367 17 H 4.7992 2.6401 0.7338 H 1 FRG1 0.0367 18 H 5.4277 0.4030 0.7692 H 1 FRG1 0.2098 19 H 1.1870 1.7541 1.8636 H 1 FRG1 0.0272 20 H 0.4953 0.3935 0.9824 H 1 FRG1 0.0272 21 H -0.8106 1.9092 -0.3800 H 1 FRG1 0.0265 22 H -0.0983 3.2834 0.4580 H 1 FRG1 0.0265 23 H -1.0880 2.5390 2.5444 H 1 FRG1 0.0263 24 H -1.8044 1.1599 1.6830 H 1 FRG1 0.0263 25 H -2.4780 4.0440 1.2230 H 1 FRG1 0.0230 26 H -3.4721 2.8806 2.0664 H 1 FRG1 0.0230 27 H -3.1529 2.6830 0.3599 H 1 FRG1 0.0230 @BOND 1 5 7 1 2 5 6 1 3 5 4 1 4 6 2 1 5 3 4 1 6 3 2 1 7 3 8 1 8 2 1 2 9 9 8 1 10 9 10 1 11 11 10 1 12 3 12 1 13 4 13 1 14 4 14 1 15 5 15 1 16 6 16 1 17 6 17 1 18 7 18 1 19 8 19 1 20 8 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1