PUBCHEM-ZINC06404058 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 -0.7380 -2.3310 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -2.3400 -0.3570 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7680 -2.0660 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -1.7180 0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -2.2070 2.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -2.5060 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -2.8420 3.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -2.4420 1.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -2.8970 1.6040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2720 -3.9520 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -2.0480 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -1.9000 2.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0450 -2.3460 3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -2.6760 0.9630 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8030 -3.6980 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -2.6780 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -1.9650 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -2.7570 -1.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.4890 2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 0.2180 2.9660 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7380 0.9260 3.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -3.8340 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -1.3090 -1.9170 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 -3.9140 -2.0910 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -1.0720 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -2.5680 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -0.9940 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 -1.8240 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 -2.3660 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 1.4050 4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -4.4040 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -4.1290 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -4.0330 -1.5310 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