@MOLECULE CM6 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6050 -1.1730 1.0370 O.2 1 UNL1 -0.2733 2 C 2.2660 -0.5820 0.0330 C.2 1 UNL1 0.2403 3 N 3.1860 0.0570 -0.7160 N.am 1 UNL1 -0.2838 4 C 4.5090 0.1350 -0.2790 C.ar 1 UNL1 0.0363 5 C 5.5630 0.1570 -1.1920 C.ar 1 UNL1 -0.0223 6 C 6.8570 0.2350 -0.7200 C.ar 1 UNL1 0.0293 7 N 7.1020 0.2890 0.5760 N.ar 1 UNL1 -0.2631 8 C 6.1320 0.2720 1.4710 C.ar 1 UNL1 0.0293 9 C 4.8110 0.2000 1.0800 C.ar 1 UNL1 -0.0223 10 C 0.8170 -0.5690 -0.3800 C.3 1 UNL1 0.1299 11 N 0.0260 -1.3350 0.5880 N.3 1 UNL1 -0.1736 12 S -1.2460 -2.2600 0.0700 S.O2 1 UNL1 0.0615 13 O -1.8150 -2.8250 1.2430 O.2 1 UNL1 -0.1530 14 O -0.7600 -2.9960 -1.0440 O.2 1 UNL1 -0.1530 15 C -2.4660 -1.1650 -0.5740 C.ar 1 UNL1 0.1333 16 C -2.7810 -1.2010 -1.8910 C.ar 1 UNL1 -0.0331 17 C -3.7420 -0.3490 -2.4360 C.ar 1 UNL1 -0.0577 18 C -4.4040 0.5520 -1.6720 C.ar 1 UNL1 -0.0334 19 C -4.1260 0.6460 -0.2830 C.ar 1 UNL1 0.1018 20 N -4.6560 1.4530 0.6340 N.ar 1 UNL1 -0.1907 21 S -3.9550 1.0950 1.9900 S.2 1 UNL1 0.1165 22 N -2.9620 -0.0500 1.5940 N.ar 1 UNL1 -0.1888 23 C -3.1240 -0.2490 0.2880 C.ar 1 UNL1 0.1261 24 C 0.3190 0.8520 -0.4220 C.ar 1 UNL1 -0.0201 25 C 0.2260 1.5160 -1.6310 C.ar 1 UNL1 -0.0566 26 C -0.2300 2.8210 -1.6700 C.ar 1 UNL1 -0.0614 27 C -0.5940 3.4610 -0.5000 C.ar 1 UNL1 -0.0617 28 C -0.5020 2.7970 0.7080 C.ar 1 UNL1 -0.0614 29 C -0.0500 1.4910 0.7470 C.ar 1 UNL1 -0.0566 30 H 2.9280 0.4630 -1.5580 H 1 UNL1 0.1549 31 H 5.3690 0.1120 -2.2530 H 1 UNL1 0.0651 32 H 7.6790 0.2520 -1.4190 H 1 UNL1 0.0830 33 H 6.3760 0.3180 2.5220 H 1 UNL1 0.0830 34 H 4.0220 0.1870 1.8170 H 1 UNL1 0.0651 35 H 0.7170 -1.0190 -1.3680 H 1 UNL1 0.0623 36 H 0.2480 -1.2990 1.5310 H 1 UNL1 0.1492 37 H -2.2750 -1.9060 -2.5350 H 1 UNL1 0.0638 38 H -3.9630 -0.4090 -3.4910 H 1 UNL1 0.0619 39 H -5.1430 1.2000 -2.1190 H 1 UNL1 0.0640 40 H 0.5110 1.0160 -2.5450 H 1 UNL1 0.0621 41 H -0.3020 3.3390 -2.6150 H 1 UNL1 0.0618 42 H -0.9500 4.4800 -0.5310 H 1 UNL1 0.0618 43 H -0.7860 3.2970 1.6220 H 1 UNL1 0.0618 44 H 0.0220 0.9720 1.6910 H 1 UNL1 0.0621 @BOND 1 1 2 2 2 2 3 am 3 2 10 1 4 3 4 1 5 3 30 1 6 4 5 ar 7 4 9 ar 8 5 6 ar 9 5 31 1 10 6 7 ar 11 6 32 1 12 7 8 ar 13 8 9 ar 14 8 33 1 15 9 34 1 16 10 11 1 17 10 24 1 18 10 35 1 19 11 12 1 20 11 36 1 21 12 13 2 22 12 14 2 23 12 15 1 24 15 16 ar 25 15 23 ar 26 16 17 ar 27 16 37 1 28 17 18 ar 29 17 38 1 30 18 19 ar 31 18 39 1 32 19 20 ar 33 19 23 ar 34 20 21 ar 35 21 22 ar 36 22 23 ar 37 24 25 ar 38 24 29 ar 39 25 26 ar 40 25 40 1 41 26 27 ar 42 26 41 1 43 27 28 ar 44 27 42 1 45 28 29 ar 46 28 43 1 47 29 44 1