PUBCHEM-ZINC05962749 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.1230 -2.2570 3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.1880 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.8570 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -2.4020 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -2.4410 -0.7330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4090 -1.4810 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -2.6220 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -3.6340 -2.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -3.4910 -1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -4.4200 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -3.3610 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -2.2870 -2.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -4.7160 -2.6000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1650 -4.5600 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -5.2950 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -5.7610 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -5.8570 -0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -5.5910 -2.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -6.0530 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -5.6870 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -5.2200 -5.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -6.2300 -3.8210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8240 -6.7940 -4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -7.1030 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -7.7440 -2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -7.2170 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -7.7840 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 -8.8840 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -9.4230 -3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -8.8550 -3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1120 -9.4660 -3.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -8.9710 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -2.1470 3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -3.2210 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -1.4650 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -2.9970 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -0.0150 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.8320 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.6990 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -1.6120 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -3.3470 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -4.5540 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -6.1710 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -6.5190 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -7.9010 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.3590 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 -7.3590 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -10.2840 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -9.2920 -4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -1.7400 -1.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8650 -6.0010 0.6540 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5730 -5.0670 -3.8730 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4500 -4.4200 -2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -4.4280 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -5.3060 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 50 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 M CHG 1 50 -1 M CHG 1 51 -1 M CHG 1 52 1 M END