PUBCHEM-ZINC03718994 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.5090 1.1790 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -0.2250 -0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -0.6910 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 0.0900 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -0.4630 -2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -1.7980 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -2.5910 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -2.0550 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -2.9050 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6220 -2.4030 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -3.0520 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -2.1660 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -2.2450 3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -3.2080 3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -4.0810 2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -4.0100 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -5.0210 2.8990 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -3.3860 4.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -2.4720 6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -5.0180 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -6.5210 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -7.1690 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -5.1930 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -4.0530 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -2.4830 -3.2900 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 1.7420 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 1.5030 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 1.3830 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 1.1400 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.1600 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -3.6250 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -1.3900 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -1.5360 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -4.7120 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -2.5520 6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -2.7400 6.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -1.4460 5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -4.7040 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -4.7240 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -6.7500 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -7.0000 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -8.2320 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -7.0840 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -5.1400 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -5.1060 -3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -3.9040 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -3.1330 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -4.2720 -0.5780 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6730 -4.8140 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -6.5680 -2.1990 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1790 -6.6430 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -7.1890 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 25 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 9 11 1 0 0 0 0 9 48 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 50 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 48 1 M CHG 1 50 1 M END