@MOLECULE FDBF02473 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -4.4360 1.4380 1.6130 C.3 1 FRG1 -0.0261 2 C5 -5.8640 1.9830 1.7610 C.3 1 FRG1 -0.0626 3 C1 -4.4260 -0.0480 1.1700 C.3 1 FRG1 0.0731 4 O3 -5.1240 -0.8460 2.1270 O.3 1 FRG1 -0.3878 5 C1 3.8430 0.2230 0.9110 C.3 1 FRG1 -0.0466 6 C1 -2.5290 -1.1690 -0.0350 C.2 1 FRG1 -0.0797 7 C2 -3.0350 -0.6130 1.0760 C.2 1 FRG1 -0.0595 8 C1 -0.3120 -1.0930 -1.2490 C.3 1 FRG1 -0.0255 9 C2 0.8320 -2.0920 -1.4450 C.3 1 FRG1 -0.0313 10 C3 0.2270 -3.4700 -1.1690 C.3 1 FRG1 -0.0229 11 C4 -1.1350 -3.2160 -0.5070 C.3 1 FRG1 0.0620 12 C5 -1.1470 -1.7310 -0.1290 C.3 1 FRG1 0.0066 13 C10 1.8940 -1.6710 -0.4220 C.3 1 FRG1 -0.0285 14 C11 1.6760 -0.1920 -0.2810 C.2 1 FRG1 -0.0731 15 C12 0.3690 0.2260 -0.8950 C.3 1 FRG1 -0.0280 16 C15 2.5350 0.6470 0.3080 C.2 1 FRG1 -0.0878 17 O21 -1.2720 -4.0400 0.6410 O.3 1 FRG1 -0.3912 18 H -3.9178 2.0207 0.8803 H 1 FRG1 0.0291 19 H -3.9565 1.5022 2.5674 H 1 FRG1 0.0291 20 H -6.3658 1.9294 0.8175 H 1 FRG1 0.0231 21 H -5.8251 3.0014 2.0869 H 1 FRG1 0.0231 22 H -6.3961 1.3980 2.4817 H 1 FRG1 0.0231 23 H -4.8895 -0.0739 0.2060 H 1 FRG1 0.0637 24 H -4.6712 -0.7938 2.9833 H 1 FRG1 0.2102 25 H 4.3424 1.0779 1.3168 H 1 FRG1 0.0272 26 H 4.4560 -0.2230 0.1559 H 1 FRG1 0.0272 27 H 3.6628 -0.4880 1.6900 H 1 FRG1 0.0272 28 H -3.1288 -1.2112 -0.8737 H 1 FRG1 0.0573 29 H -2.4353 -0.5704 1.9148 H 1 FRG1 0.0594 30 H -0.9580 -0.8907 -2.0776 H 1 FRG1 0.0313 31 H 1.2800 -2.1182 -2.4163 H 1 FRG1 0.0308 32 H 0.8604 -4.0281 -0.5116 H 1 FRG1 0.0293 33 H 0.1224 -4.0372 -2.0703 H 1 FRG1 0.0293 34 H -1.9515 -3.4489 -1.1581 H 1 FRG1 0.0599 35 H -0.7488 -1.5413 0.8458 H 1 FRG1 0.0371 36 H 2.8788 -1.8798 -0.7847 H 1 FRG1 0.0313 37 H 1.8099 -2.1956 0.5068 H 1 FRG1 0.0313 38 H -0.2193 0.7818 -0.1951 H 1 FRG1 0.0313 39 H 0.4986 0.8633 -1.7447 H 1 FRG1 0.0313 40 H 2.2834 1.6470 0.3506 H 1 FRG1 0.0569 41 H -0.5466 -3.8574 1.2585 H 1 FRG1 0.2098 @BOND 1 9 8 1 2 9 10 1 3 9 13 1 4 8 15 1 5 8 12 1 6 10 11 1 7 15 14 1 8 11 12 1 9 11 17 1 10 13 14 1 11 14 16 2 12 12 6 1 13 6 7 2 14 16 5 1 15 7 3 1 16 3 1 1 17 3 4 1 18 1 2 1 19 1 18 1 20 1 19 1 21 2 20 1 22 2 21 1 23 2 22 1 24 3 23 1 25 4 24 1 26 5 25 1 27 5 26 1 28 5 27 1 29 6 28 1 30 7 29 1 31 8 30 1 32 9 31 1 33 10 32 1 34 10 33 1 35 11 34 1 36 12 35 1 37 13 36 1 38 13 37 1 39 15 38 1 40 15 39 1 41 16 40 1 42 17 41 1