PUBCHEM-ZINC06075806 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.9260 0.6740 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -0.4300 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -0.8220 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -0.2290 -1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -0.6390 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -1.7130 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -2.0870 -1.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -2.3210 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -1.9030 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -2.5030 1.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -2.1100 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -1.1180 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -0.7540 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 0.3530 1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 0.7950 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 0.2860 1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.8250 2.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 2.2700 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 2.4330 3.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1700 2.3940 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 1.7580 4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 0.3580 4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 -0.7550 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -2.0490 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5510 -2.2280 3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 -1.1380 3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8770 0.1550 3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0290 -3.4790 3.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 -4.1070 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3060 3.9070 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 4.1910 4.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.7910 2.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 0.2540 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 1.3930 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.2730 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 0.5540 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -0.2100 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -3.1140 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -0.4840 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -1.6410 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -0.0040 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 1.2310 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 1.7310 5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 2.3480 4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -0.6160 5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 -2.8940 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3040 -1.2910 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4890 1.0070 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -3.4440 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 4.6280 3.7670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 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 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 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 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 1 50 -1 M END