PUBCHEM-ZINC02547076 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -2.8910 -1.0550 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -1.1250 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -1.6850 1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -1.8150 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -1.4720 0.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -2.3880 2.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9950 -2.0630 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -1.9600 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -4.3040 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -3.9280 2.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0260 -4.3600 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -4.4010 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -5.0500 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -5.4840 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -5.2670 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -4.6160 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -4.1790 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -5.7320 -2.0880 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5750 -6.3050 -1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -5.5400 -3.2080 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0520 -3.1020 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 -2.0010 3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 -2.2670 4.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 -1.2570 5.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 0.0190 4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 0.2860 3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 -0.7250 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -0.4220 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -0.6350 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -2.0570 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -1.7580 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -0.1220 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -1.7180 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -1.1060 3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -5.2140 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -4.4320 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -5.2200 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -5.9920 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -4.4470 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -3.6680 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -2.9100 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -4.0570 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 -3.2640 4.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -1.4650 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 0.8090 4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5110 1.2830 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -0.5180 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -3.1470 2.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 48 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 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 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END