PUBCHEM-ZINC04216929 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0610 1.5540 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.0610 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.5350 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -1.9130 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -2.7160 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -2.1410 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.7540 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.1760 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 0.4260 -2.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 1.1480 -4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 1.7780 -4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 2.5060 -5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 2.6580 -6.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 2.0200 -6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 1.2910 -5.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 3.0330 -5.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 2.5770 -4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.8210 -3.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 3.9170 -6.5880 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0590 3.8920 -7.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 5.3540 -6.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5000 5.2730 -5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 5.7750 -7.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7280 6.5880 -6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 4.4860 -7.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0710 4.3700 -8.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 3.3750 -7.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 4.3650 -6.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 3.1860 -6.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1660 2.4810 -6.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 6.2480 -8.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 6.5150 -7.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 6.1430 -6.2480 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8000 2.0020 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 1.8040 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 2.0150 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 0.0750 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -2.3590 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -3.7890 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -2.7850 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.9670 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 0.5520 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 0.3400 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 2.1010 -6.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 2.8360 -4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 5.2200 -6.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9150 4.2820 -5.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 33 -1 M END