PUBCHEM-ZINC06545594 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 0.2030 1.0000 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 1.5520 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 1.7580 -1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 2.2690 -2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 2.5540 -4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 2.3220 -4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 1.8410 -3.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2140 3.1080 -5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 3.3130 -6.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 3.8980 -7.7850 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 5.1910 -7.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 2.5080 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 4.1840 -1.9490 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5360 3.7050 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 5.7000 -2.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6780 6.1710 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 6.2350 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 5.9960 -1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 3.6750 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 3.1100 0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 1.4640 -0.6740 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2100 -0.0890 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 1.3780 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.3100 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 2.5410 -5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 2.4040 -5.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 4.0580 -4.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 2.3840 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 1.7910 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 5.6970 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 7.2970 -3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 6.0930 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0680 5.6080 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 1.6920 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 4.1180 -8.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 2.8560 -8.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 3.8720 -2.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 4.0040 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7270 3.8490 -0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9880 3.5060 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 1.9840 -8.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 4.4690 -9.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 35 42 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 7 1 M CHG 1 21 -1 M END