PUBCHEM-ZINC05592529 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 1.1540 1.1190 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.3310 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -1.2970 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -2.6430 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -3.0320 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.0980 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.7450 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 0.2280 -1.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 0.5150 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 1.5560 -3.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 2.7500 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 3.7240 -4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 3.5380 -5.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 2.3390 -6.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 1.3640 -5.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 4.5240 -6.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 4.3250 -8.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 5.4190 -8.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 6.4500 -7.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 6.0520 -6.2870 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 7.7150 -8.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 7.9020 -9.6390 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5920 5.3380 -10.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -2.6270 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -3.6510 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -1.5650 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -3.3380 -3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 1.4210 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 1.7640 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 1.2920 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.0050 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -3.3940 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -4.0990 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 0.9100 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -0.4000 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 2.9290 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 4.6260 -3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 2.1540 -7.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 0.4540 -5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 5.4140 -10.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 6.1320 -10.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 4.3800 -10.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -3.2120 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.9760 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -4.5620 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -0.9130 -3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.0360 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -0.9480 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -4.1800 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -3.7360 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -2.6530 -3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 8.5580 -7.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 52 2 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M CHG 1 22 -1 M END