PUBCHEM-ZINC04491356 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 1 0 0 0 0 0999 V2000 0.0120 0.8790 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.5230 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -1.3760 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -1.1420 -0.1840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8940 -1.1730 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -2.4830 0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -2.5310 1.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0070 -3.0950 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -1.1120 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -0.1260 0.9840 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -3.2200 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -3.1770 1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -3.8640 3.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -4.5360 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -5.9330 3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 -6.6320 3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -8.0230 2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -8.6930 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 -10.0770 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -3.5980 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -3.5640 -1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -4.9040 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -5.1620 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -6.4150 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -7.4060 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -7.1490 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -5.8980 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -5.6710 -0.6790 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8520 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.2760 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 1.5990 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -0.4300 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -1.5640 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -2.3320 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.8690 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.7600 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -1.0050 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -3.8840 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -3.9250 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -4.5920 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -6.5320 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.8660 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 -6.0230 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9120 -6.7160 4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 -8.6450 3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 -7.9430 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1100 -8.0650 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3820 -8.7690 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -10.7620 2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 -10.0420 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -4.4030 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -6.6240 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -8.3820 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -7.9150 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 -10.6550 2.8930 N 0 3 0 0 0 0 0 0 0 0 0 0 8.8130 -11.5980 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8390 -10.7240 3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 -10.0730 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 M CHG 1 55 1 M END