IFLAB-ZINC04939855 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0080 1.5490 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 1.0380 1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 1.2960 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 2.7380 2.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 3.5610 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 3.3100 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 3.2320 4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 4.4580 4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 4.9090 5.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 4.1260 6.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 2.9380 6.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 2.4990 5.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 4.4920 8.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 5.8290 8.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 6.1520 9.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 5.1440 10.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 3.8020 10.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 3.4920 9.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 2.8320 11.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 1.4550 11.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 0.8210 10.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 0.6870 12.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -0.5070 12.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -1.2580 13.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -0.8200 14.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 0.3600 14.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 1.1140 13.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -1.7460 16.2790 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.4740 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.8880 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 2.0930 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.3690 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -0.0220 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 0.9080 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 0.7240 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 3.3040 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 4.6340 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 3.8010 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 3.6640 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 5.0770 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 5.8580 5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 6.6420 7.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 7.1940 10.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 5.4260 11.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 2.4550 8.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 3.1980 12.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -0.8550 12.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -2.1800 14.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 0.6920 15.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 2.0100 13.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 1.8190 0.6660 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0570 1.4890 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 51 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 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END