IFLAB-ZINC02712697 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.3260 2.0110 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.5030 -0.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0060 0.3400 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.0920 1.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6370 0.1280 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -1.6200 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -2.2970 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -3.6920 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -4.4330 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -3.7810 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -2.3860 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 0.3380 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 1.2390 4.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 1.3790 3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.4710 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 1.9140 6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -0.1560 -1.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.5500 -2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -0.3420 -3.0410 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.0880 -3.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.8880 -4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.5390 -5.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -3.3280 -6.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -3.4900 -6.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -2.8700 -6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -2.0820 -5.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.3440 -4.6780 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 2.2380 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 2.4020 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 2.5610 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -1.7500 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -4.2010 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -5.5190 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -4.3590 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -1.9020 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 0.5160 3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -0.7100 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 0.9490 5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 2.2970 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 2.4400 3.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 1.1850 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -0.5660 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 0.7450 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 2.9690 5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 1.6090 6.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 1.7100 6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -0.3420 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -0.8500 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -2.4910 -4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -3.8270 -6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -4.1060 -7.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -3.0050 -6.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.6160 2.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 1.0870 4.9070 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3830 0.1010 5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 53 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 54 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 53 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END