PUBCHEM-ZINC06452896 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.0120 1.6890 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.3150 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -0.3950 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 0.4380 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 2.1080 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -0.0310 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 0.3730 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -0.1470 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -0.1100 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 0.4110 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -0.3860 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 0.1950 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -1.7550 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -2.7040 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -3.9150 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -4.9890 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -4.4650 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 -4.5210 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -3.5730 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -3.9060 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -3.0220 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 2.4420 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -1.1310 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 1.4650 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -0.0180 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 0.2390 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -1.2420 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -1.2040 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 0.3010 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 0.0460 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 1.5050 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -2.0930 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -2.1830 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -3.5400 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -4.3990 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -5.5830 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -5.6980 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -3.4600 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -5.1090 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -4.2830 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -5.5510 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -2.5300 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -3.6620 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -3.7730 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -4.9650 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -3.4720 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 -2.0710 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 0.3220 0.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4550 1.3500 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 -0.0200 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 48 1 0 0 0 0 10 30 1 0 0 0 0 10 31 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 32 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END