IFLAB-ZINC04263118 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 0.1760 1.4030 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.0740 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -0.6600 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -2.0000 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -2.5240 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -3.8790 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -4.7370 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -4.2090 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -2.8500 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -6.0860 -0.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -7.1200 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -7.0350 0.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -8.4390 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -9.2020 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -10.4750 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -10.9990 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -10.2680 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -8.9810 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -8.2940 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -7.0360 -2.4220 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5990 -11.2550 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -10.7000 -0.1700 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4080 1.8930 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 1.5390 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 1.9020 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -0.1800 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.5430 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -1.8760 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -4.2620 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -4.8300 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -2.4980 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -6.3310 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -8.7970 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -11.9850 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -10.7070 -3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -9.0110 -2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -12.4090 -1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 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 33 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 2 0 0 0 0 21 22 1 0 0 0 0 21 37 2 0 0 0 0 M CHG 1 20 -1 M CHG 1 22 -1 M END