IBS-ZINC06661004 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.2380 0.7070 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 1.0150 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 2.9910 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 3.5320 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 4.9830 -0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 5.8420 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 7.1320 -0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 7.6880 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 6.9880 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 5.4930 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 7.6600 1.5250 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8590 7.2120 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 9.1280 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 9.8790 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 11.2400 2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 11.8510 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 11.1190 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 9.7580 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 9.0840 0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 13.1810 2.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 7.4810 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 8.0420 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 7.9420 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 7.2710 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6070 6.6980 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 6.8040 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 6.0570 3.0950 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -0.3590 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.9620 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 0.9700 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 1.2390 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -0.0600 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 1.5410 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 3.2240 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 3.4180 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 3.2840 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 3.0430 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 5.3470 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 9.4100 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 11.8020 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 11.6080 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 13.5530 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 8.5840 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 8.3940 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 7.1950 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4110 6.1700 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 1.4810 1.1780 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9280 1.2640 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 4.6810 1.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 5.1630 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 47 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 49 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 47 1 M END