PUBCHEM-ZINC06545590 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -1.3430 1.7530 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 0.2710 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -0.4670 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -1.8560 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.4570 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -1.6270 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -0.2930 -1.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -3.9220 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -4.1180 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -5.6190 -0.5450 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -5.7580 -2.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.6330 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -3.1390 2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -3.8190 4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -4.2120 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.9000 6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -4.2260 6.9720 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8220 -3.7500 6.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -3.8340 8.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -4.8570 9.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -4.0360 4.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 0.2010 2.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 2.2510 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 2.1610 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 1.9850 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -2.0310 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -4.5240 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -4.2380 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -2.7330 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -3.0510 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -5.2810 4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -2.8350 6.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -4.4410 6.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -3.6650 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.4050 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -5.5480 -0.2100 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7090 -6.5290 0.3730 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7570 -2.6650 8.8140 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2430 -5.7180 6.9090 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0140 -5.9810 6.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -6.2800 6.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -5.8900 7.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 22 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 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 22 35 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 37 -1 M CHG 1 38 -1 M CHG 1 39 1 M END