@MOLECULE FDBF00669 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -3.6040 2.2470 -0.6090 C.3 1 FRG1 -0.0153 2 C5 -3.4970 3.7420 -0.3520 C.3 1 FRG1 -0.0605 3 C1 -2.4850 1.4810 0.0920 C.3 1 FRG1 -0.0314 4 N1 -2.5970 0.0440 -0.1880 N.4 1 FRG1 0.2439 5 C2 -1.4710 -0.7190 0.3830 C.3 1 FRG1 0.0564 6 C3 -1.6130 -2.2270 0.1330 C.3 1 FRG1 -0.0008 7 C4 -2.9480 -2.7570 0.6370 C.3 1 FRG1 -0.0427 8 C5 -4.0880 -1.9340 0.0560 C.3 1 FRG1 -0.0123 9 C6 -3.8860 -0.4450 0.3340 C.3 1 FRG1 -0.0312 10 O1 -0.2190 0.1350 -1.4440 O.2 1 FRG1 -0.2698 11 C2 -0.2060 -0.2750 -0.2880 C.2 1 FRG1 0.2588 12 N3 0.8840 -0.4060 0.5630 N.am 1 FRG1 -0.3247 13 H -3.5411 2.0692 -1.6623 H 1 FRG1 0.0314 14 H -4.5409 1.9045 -0.2220 H 1 FRG1 0.0314 15 H -2.5647 4.1035 -0.7328 H 1 FRG1 0.0232 16 H -3.5484 3.9275 0.7005 H 1 FRG1 0.0232 17 H -4.3026 4.2468 -0.8429 H 1 FRG1 0.0232 18 H -2.5552 1.6413 1.1476 H 1 FRG1 0.0814 19 H -1.5421 1.8335 -0.2708 H 1 FRG1 0.0814 20 H -2.5593 -0.0965 -1.1976 H 1 FRG1 0.2041 21 H -1.4583 -0.5404 1.4379 H 1 FRG1 0.0950 22 H -0.8225 -2.7388 0.6409 H 1 FRG1 0.0325 23 H -1.5632 -2.3967 -0.9223 H 1 FRG1 0.0325 24 H -3.0597 -3.7781 0.3373 H 1 FRG1 0.0269 25 H -2.9730 -2.6870 1.7044 H 1 FRG1 0.0269 26 H -4.1284 -2.0901 -1.0018 H 1 FRG1 0.0317 27 H -5.0023 -2.2456 0.5163 H 1 FRG1 0.0317 28 H -4.6778 0.1039 -0.1314 H 1 FRG1 0.0815 29 H -3.8884 -0.3034 1.3946 H 1 FRG1 0.0815 30 H 1.7832 -0.1507 0.2540 H 1 FRG1 0.1451 31 H 0.7573 -0.7541 1.4752 H 1 FRG1 0.1451 @BOND 1 10 11 2 2 1 2 1 3 1 3 1 4 11 5 1 5 11 12 am 6 4 3 1 7 4 9 1 8 4 5 1 9 8 9 1 10 8 7 1 11 6 5 1 12 6 7 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 5 21 1 22 6 22 1 23 6 23 1 24 7 24 1 25 7 25 1 26 8 26 1 27 8 27 1 28 9 28 1 29 9 29 1 30 12 30 1 31 12 31 1