CHEMDIV-ZINC06748757 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 0 0 0 0 0999 V2000 -0.1200 0.8320 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -0.1790 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -0.5910 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 0.0010 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.0190 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 1.4310 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -0.4560 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -0.0020 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 -0.7300 0.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 -0.8090 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2070 -0.0710 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5850 -0.3180 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1410 -1.2900 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3300 -2.0150 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9680 -1.7690 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -2.5520 1.9920 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 -1.5610 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -1.4380 1.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5990 -1.5470 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1410 -1.8530 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2710 -1.4350 -1.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7040 -1.6250 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4570 -0.3890 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9590 -0.6420 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 0.5140 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9000 1.7990 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7480 2.0360 1.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3730 2.1920 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5750 0.9280 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 1.1540 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -0.6490 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -1.3830 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 1.5130 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 2.2210 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 0.7350 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7850 0.6780 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2180 0.2760 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 -2.7520 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 -1.2350 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9740 -2.5030 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9470 -1.8350 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2180 0.4650 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1090 -0.1280 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2430 -1.4460 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3000 -0.8960 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2480 0.3630 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5880 -0.3560 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9710 1.7110 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5230 2.6640 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3300 2.3920 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9590 3.0670 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9630 0.0620 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5160 1.0780 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7080 0.6080 -0.2510 N 0 3 0 0 0 0 0 0 0 0 0 0 16.3150 1.3990 -0.7800 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 17 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 19 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END