PUBCHEM-ZINC06445434 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0480 1.4130 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.0630 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -0.5680 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -1.9530 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -2.5340 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -1.7750 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.4140 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 0.2170 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 1.5340 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.1250 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 0.3340 -0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -0.3260 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 0.7140 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5450 0.0240 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 1.0640 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9520 0.4040 -0.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1290 1.1520 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0880 2.5130 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2550 3.2720 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4670 2.6910 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5500 1.3060 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3720 0.5200 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4480 -0.7970 -1.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5990 -1.3900 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7960 -0.6780 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7880 0.6750 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6950 3.5180 -0.8830 N 0 3 0 0 0 0 0 0 0 0 0 0 15.8110 4.4420 -0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5890 3.2730 -1.6730 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0520 -2.7800 -0.1550 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0740 -3.8970 0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -2.3430 -0.6330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9800 1.9290 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.5050 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -3.5990 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -2.2590 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 3.1930 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 1.2920 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 -1.0750 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -0.8080 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 1.4630 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 1.1960 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7180 -0.7250 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -0.4580 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4940 1.8130 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6820 1.5460 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9850 -0.5540 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 2.9970 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1980 4.3370 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 -2.4580 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7290 -1.1930 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7060 1.2430 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 30 1 M CHG 1 32 -1 M END