IFLAB-ZINC02712694 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.9360 -1.4370 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.5830 0.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5950 0.4250 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -1.1090 -1.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5140 -1.1530 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -2.5180 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -3.5870 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -4.8900 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -5.1460 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -4.1000 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -2.7960 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -0.6150 -3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 0.4970 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 2.1710 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 1.1060 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 2.6360 -5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.5310 0.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 0.5320 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 2.0650 0.2820 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 0.1040 1.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 0.6200 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 1.6450 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 2.0740 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3820 1.4760 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 0.4360 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 0.0100 1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -1.3050 2.8260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -2.4560 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -1.4920 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -1.0000 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -3.4230 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -5.7090 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -6.1610 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -4.3020 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -2.0020 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.3680 -3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -1.0730 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 0.0550 -5.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 0.8600 -4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 2.6260 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.9640 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 0.6870 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 1.5430 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 3.0790 -5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 2.2180 -6.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 3.4380 -5.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -1.4110 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -0.7340 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 2.1260 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 2.8760 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4100 1.8130 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8710 -0.0380 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.0580 -2.0330 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9410 0.3230 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 1.6050 -4.4650 N 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 55 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 55 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 55 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 53 54 1 0 0 0 0 M CHG 1 53 1 M END