PUBCHEM-ZINC06411108 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -1.9250 0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.3340 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -2.3420 0.2680 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7080 -2.0610 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -1.7130 -0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -2.1960 -2.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -2.4940 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -2.8240 -3.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -2.4350 -1.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -2.8880 -1.4790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8720 -2.2950 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -4.3870 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -4.9330 -1.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3750 -5.3260 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -3.7010 -0.3840 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0040 -3.2320 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -2.8030 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -4.1040 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -2.9760 1.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -5.9710 -0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -6.9470 -0.5240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4220 -7.9230 -0.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -3.8370 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -1.3180 1.7880 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -2.0770 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -4.8860 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -4.5080 -2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -4.4520 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -4.9050 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -3.1600 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -8.0230 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -4.0400 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -4.1340 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -4.4030 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 24 25 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 24 1 M END