PUBCHEM-ZINC05967780 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 0 0 0 0 0 0999 V2000 -1.2590 3.0930 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.8440 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 0.8380 0.2470 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2350 0.7180 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 1.4240 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 1.0600 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -0.0070 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -0.7180 -1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -0.3640 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -0.8540 0.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -1.6030 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -0.0860 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -0.2690 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -0.6780 3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.7760 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -0.4500 4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -0.0020 3.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -0.4760 5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.1080 6.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -0.9060 5.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -1.0150 6.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -2.4900 6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -3.1140 5.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -4.2880 5.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -4.9160 4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -4.3750 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -3.2070 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 -2.5720 4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -1.2910 4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 3.8410 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 3.4970 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 2.8290 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 2.1070 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 1.4400 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 2.2570 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 1.6080 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -0.2830 -3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 -1.5470 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -0.9040 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -1.0870 5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -0.4400 6.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -0.6410 7.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.5760 7.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -3.0190 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -4.7130 6.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 -5.8270 4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -4.8640 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -2.7850 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -1.4330 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -0.5040 3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 12 2 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 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 3 1 M END