@MOLECULE ***** 43 48 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.5960 -2.5710 0.3800 C.ar 1 UNL1 0.1421 2 C -2.6460 -1.8580 -0.2140 C.ar 1 UNL1 0.0997 3 C -3.8060 -2.5210 -0.6270 C.ar 1 UNL1 0.1377 4 C -0.3580 -0.6470 0.8710 C.ar 1 UNL1 0.1607 5 C -1.3910 0.2220 0.2700 C.ar 1 UNL1 0.0922 6 C -2.5430 -0.3870 -0.4100 C.ar 1 UNL1 0.2051 7 C 0.5480 0.1740 1.4180 C.ar 1 UNL1 0.0644 8 C -1.0070 1.5200 0.5090 C.ar 1 UNL1 0.0866 9 O -0.4400 -1.9960 0.8000 O.2 1 UNL1 -0.4527 10 C -1.7260 2.7310 0.0940 C.ar 1 UNL1 0.1251 11 C -3.9180 -3.8850 -0.4460 C.ar 1 UNL1 -0.0255 12 C -2.8820 -4.5910 0.1420 C.ar 1 UNL1 -0.0555 13 C -1.7330 -3.9480 0.5480 C.ar 1 UNL1 -0.0184 14 N 0.1700 1.4750 1.2070 N.ar 1 UNL1 -0.3525 15 O -3.3400 0.2530 -1.0730 O.2 1 UNL1 -0.2862 16 C 1.7900 -0.2640 2.1500 C.3 1 UNL1 0.0164 17 C 2.8960 -0.5160 1.1580 C.ar 1 UNL1 -0.0378 18 C 3.7490 0.5110 0.8010 C.ar 1 UNL1 -0.0126 19 C 4.7670 0.2820 -0.1110 C.ar 1 UNL1 0.1665 20 C 4.9280 -0.9850 -0.6650 C.ar 1 UNL1 0.1662 21 C 4.0690 -2.0100 -0.3020 C.ar 1 UNL1 -0.0159 22 C 3.0590 -1.7760 0.6130 C.ar 1 UNL1 -0.0545 23 O 5.7250 1.1080 -0.6230 O.3 1 UNL1 -0.4526 24 C 6.2180 0.4400 -1.8010 C.3 1 UNL1 0.2332 25 O 5.9880 -0.9540 -1.5250 O.3 1 UNL1 -0.4526 26 S -1.2120 4.3850 0.4130 S.2 1 UNL1 -0.0742 27 C -2.6400 4.9860 -0.4290 C.ar 1 UNL1 -0.0042 28 C -3.3470 3.9330 -0.8580 C.ar 1 UNL1 0.0355 29 N -2.8460 2.7540 -0.5770 N.ar 1 UNL1 -0.2458 30 F -4.8140 -1.8280 -1.2020 F 1 UNL1 -0.2046 31 H -4.8120 -4.4010 -0.7630 H 1 UNL1 0.0646 32 H -2.9750 -5.6580 0.2830 H 1 UNL1 0.0620 33 H -0.9350 -4.5140 1.0040 H 1 UNL1 0.0654 34 H 0.6660 2.2520 1.5090 H 1 UNL1 0.1658 35 H 2.0960 0.5170 2.8460 H 1 UNL1 0.0377 36 H 1.5820 -1.1810 2.7030 H 1 UNL1 0.0377 37 H 3.6220 1.4930 1.2320 H 1 UNL1 0.0658 38 H 4.1920 -2.9940 -0.7300 H 1 UNL1 0.0655 39 H 2.3920 -2.5760 0.8950 H 1 UNL1 0.0622 40 H 5.6580 0.7540 -2.6810 H 1 UNL1 0.1166 41 H -2.8990 6.0240 -0.5740 H 1 UNL1 0.0709 42 H -4.2710 4.0470 -1.4060 H 1 UNL1 0.0835 43 H 7.2820 0.6360 -1.9350 H 1 UNL1 0.1166 @BOND 1 25 20 1 2 25 24 1 3 21 20 ar 4 21 22 ar 5 20 19 ar 6 22 17 ar 7 24 23 1 8 19 23 1 9 19 18 ar 10 17 18 ar 11 17 16 1 12 16 7 1 13 7 4 ar 14 7 14 ar 15 9 4 ar 16 9 1 ar 17 13 1 ar 18 13 12 ar 19 4 5 ar 20 14 8 ar 21 1 2 ar 22 12 11 ar 23 5 8 ar 24 5 6 ar 25 8 10 1 26 2 6 ar 27 2 3 ar 28 11 3 ar 29 6 15 2 30 3 30 1 31 29 10 ar 32 29 28 ar 33 10 26 ar 34 28 27 ar 35 26 27 ar 36 11 31 1 37 12 32 1 38 13 33 1 39 14 34 1 40 16 35 1 41 16 36 1 42 18 37 1 43 21 38 1 44 22 39 1 45 24 40 1 46 27 41 1 47 28 42 1 48 24 43 1