PUBCHEM-ZINC00621461 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -4.2290 1.6200 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 0.1420 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 -0.3110 1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -0.7510 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -0.2310 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -1.0710 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -2.4280 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -2.9550 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -2.1210 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -4.3280 -0.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -4.9860 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 -4.1760 -0.4890 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -6.2820 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 -6.9980 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -6.8310 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 -7.5400 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1510 -8.4140 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2420 -8.5810 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -7.8800 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4460 -9.1850 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2540 -10.4950 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 -10.7740 -0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 2.1150 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 2.0340 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 1.7810 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 0.8270 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.6680 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -3.0800 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -2.5290 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -4.8070 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -6.7180 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 -6.1480 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 -7.4110 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -9.2640 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -8.0150 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7480 -9.3770 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2180 -8.6030 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2810 -11.3520 -0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1100 -12.1800 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 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 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 38 39 1 0 0 0 0 M END