IFLAB-ZINC02455632 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 0.4480 1.8310 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 0.7670 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -0.3290 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -0.3600 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 0.6970 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 1.7860 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 2.9740 1.7290 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4440 3.2010 2.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 3.7120 1.9210 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2910 0.6050 3.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.4530 3.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -0.8080 3.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 1.3200 2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 1.6260 4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 0.6230 5.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -1.5150 0.8060 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1800 -2.6120 0.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -1.3170 0.9090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1550 0.8240 -2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 1.4030 -3.5170 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -0.4070 -3.1750 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 1.5360 -2.7750 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 2.6990 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -1.1570 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 0.6160 2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 2.2310 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 2.8540 4.6270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 27 -1 M END