IBS-ZINC01204338 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0210 1.5030 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.6910 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -2.0720 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.0780 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -0.6970 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1680 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.9870 -1.2290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9950 -4.7930 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -6.4540 -0.7750 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1640 -6.3740 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -4.9260 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -4.4900 2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -7.3020 1.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -7.1780 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -6.5590 -1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -8.6720 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -4.6820 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -4.4500 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -4.1700 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -4.1250 -3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -4.3580 -4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -4.6420 -3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -4.3090 -5.8410 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6340 -4.0620 -6.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -4.5150 -6.2910 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0330 1.8510 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 1.8710 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.8760 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -0.1460 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.6070 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -2.6180 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -0.1580 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -6.9510 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -9.0520 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -9.1340 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -8.9120 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -4.4850 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 -3.9880 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 -3.9060 -4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -4.8280 -3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END