ASINEX-ZINC04952853 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.7470 0.9630 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.4220 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -0.8250 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 0.0460 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -0.4350 -3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -1.8200 -3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -2.7090 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.2130 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -2.9890 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -4.3960 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -2.3880 -4.5320 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1080 -2.9450 -5.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.2970 -4.8980 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2270 0.5420 -4.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 1.1190 -6.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 1.0560 -7.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 1.0740 -6.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.1220 -5.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 1.7450 -8.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 2.6890 -8.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 4.0770 -8.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 4.9550 -8.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 4.4590 -8.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 3.0830 -8.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 2.1980 -8.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 2.4680 -8.4220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 1.3300 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 1.5440 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 1.0930 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 1.1150 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -3.7710 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -4.8060 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -4.8470 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -4.6580 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 1.5660 -3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.2880 -4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 0.5970 -6.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 2.1660 -6.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 1.6000 -8.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 0.0230 -8.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 0.0430 -6.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 1.6320 -6.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 2.1680 -4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 0.6040 -4.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 0.7150 -9.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 2.0580 -9.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 4.4910 -8.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 6.0290 -8.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 5.1480 -8.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 1.1270 -8.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 0.4930 -5.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 1.7230 -7.5410 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1160 2.7000 -7.2790 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 51 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 52 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 52 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 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 52 1 M END