IFLAB-ZINC00646206 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -1.9850 1.1740 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 0.1320 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -0.5470 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -1.4000 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -1.2560 -0.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -0.2940 -0.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.9510 -2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -2.3050 -3.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.9890 -4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -3.3220 -4.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -2.9710 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -2.2820 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -2.2400 0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.3660 2.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7720 0.2780 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.7280 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -1.5420 4.7090 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8460 -2.1540 5.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.7740 5.2220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3620 0.2680 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -0.4340 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 0.1470 2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 1.4320 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 2.1350 3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 1.5560 3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 2.4420 3.6520 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 2.1600 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 1.1470 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.9680 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -2.0460 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -3.2650 -5.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -3.8580 -5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -3.2320 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -2.0040 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -3.1160 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -2.2250 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -2.3410 2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -1.4380 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4030 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 1.8850 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 3.1390 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END