PUBCHEM-ZINC03745475 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 1.0260 2.2230 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 0.7850 -0.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 0.3250 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -0.1150 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.3060 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.5960 -3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -1.9760 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -2.4180 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -1.5040 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.9280 -4.8490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0220 -2.3630 -5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -3.4250 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -4.4830 -3.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -4.8830 -3.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 -4.2240 -4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -3.1660 -5.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -2.7760 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -1.7520 -6.3450 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4960 -4.6160 -4.6860 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -4.9770 -6.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -5.4780 -6.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -4.2400 -6.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -3.5630 -5.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4110 -2.4720 -5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -3.9960 -3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -4.7180 -3.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 2.4810 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 2.5760 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 2.7890 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.2140 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -0.3260 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 1.1580 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 1.3630 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.1910 -4.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -3.4740 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -1.9180 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -5.0080 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -5.7020 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -2.6520 -6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -4.3900 -6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7730 -5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -6.2580 -5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -5.8910 -7.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -4.4930 -6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -3.5770 -7.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -4.0470 -5.0150 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9160 -4.6180 -4.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -3.5050 -3.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -3.8290 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 46 1 M END