PUBCHEM-ZINC02033973 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 0 0 0 0 0 0999 V2000 8.2500 1.5120 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8930 0.8680 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 0.0250 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 -0.2120 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 0.4650 -1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 1.3090 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 0.3010 -2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -0.5270 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -1.1970 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -1.0630 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -1.8450 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 -2.9300 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8930 -3.7730 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 -5.6370 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 -6.8990 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 -7.9450 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 -7.3670 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -6.1030 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -0.9220 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 0.3870 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 1.1400 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 0.7500 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 0.6100 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -0.3550 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 0.0400 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -2.6500 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -1.9390 0.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1160 2.1670 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4810 1.0160 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 -0.4440 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7890 1.8230 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 0.8160 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.6530 -3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -1.8340 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -2.4710 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -3.5650 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -4.0200 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -3.2300 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3060 -4.8670 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 -5.8300 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8770 -7.3160 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -6.6470 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -8.3080 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 -8.8080 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -8.1150 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -7.1430 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -6.3020 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -5.6670 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -1.5100 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 -0.6290 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 1.0560 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 0.9240 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 1.1180 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 2.1340 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 1.5040 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -0.1980 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 1.5930 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 0.2590 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.3790 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -1.3700 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 1.0090 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.7210 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -5.0880 0.6280 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8340 -4.8910 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 0.1580 1.2310 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6100 -0.8210 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -3.8880 0.1650 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 63 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 63 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 63 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 65 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 65 1 0 0 0 0 26 27 2 0 0 0 0 26 67 1 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 63 1 M CHG 1 65 1 M CHG 1 67 -1 M END