IFLAB-ZINC02694851 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 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 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6460 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.0130 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -0.8610 1.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -1.7800 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.1470 -0.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.6060 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 0.8800 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 2.0180 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.9300 2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 2.6420 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 1.4780 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 3.9400 -0.2500 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 4.7630 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3190 4.0870 2.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 5.9660 1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 6.5120 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 5.9470 3.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 7.7960 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9420 8.3730 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 9.5770 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7740 10.1660 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 9.5990 0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6450 8.4510 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3200 10.4090 4.8140 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 -1.0200 -0.3810 0.0100 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 0.7000 -0.5750 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 0.1400 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.0840 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.7980 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.1290 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 0.1900 3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 2.2180 4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.2610 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 6.4170 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 7.8920 4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 11.1060 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 8.0160 0.0650 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 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 M END