PUBCHEM-ZINC05688864 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.1280 0.9850 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.7150 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 2.9490 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 3.4360 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 4.9630 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 5.4490 3.4560 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2100 5.6940 4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 5.5460 5.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 5.8940 6.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 6.3640 7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 6.5100 6.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 6.1620 5.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 6.1830 4.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 6.4770 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 5.7650 3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 5.6820 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 5.9180 2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8850 5.8170 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 5.9680 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2220 5.8820 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8640 5.6470 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 5.5010 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 5.5860 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.1010 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 1.2820 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.4600 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 1.0510 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.3580 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 0.9380 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 3.3500 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 3.2480 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 3.0340 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 3.0760 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 5.3890 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 5.3510 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 5.1870 5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 5.8020 7.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 6.6230 8.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 6.8710 7.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 6.4570 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 4.6700 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5250 6.1510 2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2700 5.9980 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6310 5.5820 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 5.3230 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 5.4710 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.4380 1.2270 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5610 1.1370 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 47 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 6 1 M CHG 1 47 1 M END