PUBCHEM-ZINC05138779 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 0 0 0 0 0 0999 V2000 1.0040 -0.8670 -4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -1.9310 -4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -1.2490 -3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -2.3090 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -1.6230 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.5020 -2.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 0.8010 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 1.2080 -2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 2.4960 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 3.3870 -3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 2.9890 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.6860 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 1.2530 -2.3020 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3810 1.3210 -1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 0.8290 -3.1750 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4920 3.9370 -3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 3.6210 -2.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 4.7900 -3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2600 -2.6940 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0110 0.6480 -2.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.9100 -2.4310 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2660 -0.2490 -5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -0.2410 -4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -1.3530 -5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -2.5570 -4.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -2.5490 -3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.5630 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -2.8950 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -2.9660 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -0.9580 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -1.0450 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -2.3780 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.9820 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 2.8060 -3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 4.9140 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 4.8410 -4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 5.4820 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 5.0610 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 19 1 M CHG 1 21 -1 M END