SPECS-ZINC04652688 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.7550 0.7030 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -0.4030 0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -0.7600 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.8210 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -2.2890 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -1.6950 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -0.6400 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -0.1710 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -2.2330 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 -1.5730 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -0.0810 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 0.7710 0.8310 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.3690 -2.2590 0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6250 -1.7320 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9050 -0.5750 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 -2.7000 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9470 -2.2530 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0250 -3.1290 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9070 -4.4470 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7140 -4.8820 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6280 -4.0160 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5720 -6.6660 -0.6030 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 0.8720 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 1.6150 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 0.4890 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -2.2850 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -3.1110 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -0.1660 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.6560 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -3.2790 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 -3.2230 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0430 -1.2240 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9560 -2.7820 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7530 -5.1210 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7180 -4.3600 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 0.0790 -1.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 M CHG 1 12 -1 M END