IFLAB-ZINC02457084 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 0.6720 -0.3720 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.9150 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -0.4520 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 0.5700 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.1070 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 0.6330 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 2.1230 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 1.7130 0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 3.4610 0.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 4.4450 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 5.7080 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 5.2390 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 3.9600 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 7.6410 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 8.3990 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 10.0420 -0.7410 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 10.6180 -0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 9.7900 -2.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 1.0500 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.2840 -2.2050 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0850 -0.7450 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -1.7070 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -0.8950 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 1.0320 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 4.7030 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 4.0140 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 6.4730 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 5.5050 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 5.0550 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 5.6670 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 3.2060 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 4.1620 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 7.4740 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 8.1710 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 7.9230 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 8.4820 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 6.2730 0.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2650 6.4040 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 10.5980 -0.3350 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2690 0.1930 -3.0680 O 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 37 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 2 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 37 1 M CHG 1 39 -1 M END