IBS-ZINC05026585 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.7080 1.8190 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.6100 1.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.5490 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -1.7100 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -1.8280 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -2.8850 0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -0.6150 0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 0.6120 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 1.6290 0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -0.6010 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -2.6040 3.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -1.9460 4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -0.6900 3.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -2.5380 5.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -1.7690 6.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -0.7150 6.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -3.9840 3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -4.1490 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -5.0640 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -5.2060 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -4.4660 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -3.6070 4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -3.4600 4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -2.4380 5.5370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -6.1050 1.4480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 1.6250 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 2.6530 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 2.0990 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 0.1790 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -0.3530 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -1.5580 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -3.5070 5.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -2.4580 6.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -1.2990 5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.0330 6.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -1.1820 7.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -4.4910 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -4.4460 4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -5.9000 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 -4.5760 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 -3.0590 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 0.1420 7.7640 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5680 0.8820 8.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 0.6120 7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -0.3870 8.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 42 1 M END