IBS-ZINC06645563 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0360 1.5640 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 0.0420 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -0.4560 1.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.7480 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -1.2100 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -1.4360 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.8690 4.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -1.1230 2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -0.6300 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.3390 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -0.5460 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 -1.0260 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -1.3260 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 -1.1540 0.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 -0.6980 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 -0.3090 -1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -1.4640 4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -1.2540 4.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -1.9470 5.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -2.2590 6.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -2.8930 7.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -3.2490 9.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -2.9330 9.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 1.9600 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.9190 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.9880 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.2910 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -0.3860 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.5610 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 0.0480 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 -1.7030 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 0.1630 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 -1.5040 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -2.0860 5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -1.3230 7.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -2.9260 6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -3.8090 7.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.2130 8.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -3.8270 10.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 39 -1 M END