IBS-ZINC04041733 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.5630 0.7090 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 1.5690 3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 2.7840 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 3.3600 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 4.7730 2.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 5.8420 1.9100 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5510 5.7340 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 7.0390 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 8.4170 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 8.8070 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 8.3930 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 8.7700 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 9.5570 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 9.9810 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 9.6110 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 10.7440 -0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 11.1690 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 9.2060 1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 6.7260 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 7.5460 4.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 5.2520 3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 4.6260 4.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 5.8200 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 6.2000 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 6.2150 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 5.8570 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 5.4920 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 5.4560 0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -0.2640 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 1.3050 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.5670 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.2350 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 0.5710 3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 1.9570 4.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 2.6100 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 3.4380 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 3.2290 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 2.8530 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 7.8000 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 8.4590 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 9.8270 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 9.9420 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7720 11.7730 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4520 10.3130 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 11.8000 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 6.9670 5.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 6.4910 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 6.5150 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 5.8700 -3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 5.2130 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 1.4410 2.2340 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1840 0.8590 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 51 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 19 2 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END