IFLAB-ZINC03947247 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 0.9820 -0.6770 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0380 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 1.2950 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 1.9680 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 1.3260 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.0040 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -0.6740 2.1870 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0620 -1.8320 2.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -0.0740 2.4700 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2630 -0.7620 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -2.0550 -0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -2.7400 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -4.1320 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -4.8680 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -6.1840 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -6.8330 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -7.1670 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -6.2270 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -6.9600 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -4.8380 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -4.0080 -0.1600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -1.7020 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 2.9950 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -0.2190 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -2.2450 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -4.3590 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 1.9900 1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 1.9230 -0.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 2.4410 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 2.4560 2.1840 H 0 0 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 27 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 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END