PUBCHEM-ZINC04132212 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.0090 1.2800 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.0960 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7580 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -0.0560 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 1.3200 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0110 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 3.5140 -0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0850 3.8050 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 4.0320 -1.5080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6970 4.9980 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 3.0960 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 2.3800 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 3.0130 -2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 4.2680 -1.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6700 5.1030 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 4.6240 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 5.0040 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 5.3920 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 5.4120 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 5.0400 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 4.6440 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 4.2220 0.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 5.8460 -0.7140 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3050 5.5160 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 4.9730 -1.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 7.3970 -1.0590 N 0 5 0 0 0 0 0 0 0 0 0 0 7.2630 7.8650 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -2.1990 0.9590 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2620 -2.7800 1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -2.7550 0.9200 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.7790 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -0.6250 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -0.5480 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 1.8500 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 2.4120 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 3.6690 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.4770 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 2.6930 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 5.0090 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 5.7100 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 5.0440 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 4.3790 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 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 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 26 -1 M CHG 1 28 1 M CHG 1 30 -1 M END