ASINEX-ZINC04452372 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 0.2240 1.4430 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.0370 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.7320 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.1330 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.4540 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -1.0480 -1.4850 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -3.8700 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -4.3530 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -3.3040 1.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.3300 3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -3.4840 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -4.7520 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -4.9020 4.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -3.7840 4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -2.5190 4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -2.3690 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 -3.9270 5.0970 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -5.7540 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -6.5100 0.4510 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0340 -4.7780 -2.2210 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 1.7230 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 1.8040 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 1.9590 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.2650 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -4.1260 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -2.3980 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -5.6340 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -5.8840 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -1.6600 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -1.3770 3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -6.1140 2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 2 0 0 0 0 M CHG 1 19 -1 M END