PUBCHEM-ZINC05979340 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.1780 0.9030 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.5390 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -0.7710 0.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -1.1220 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -2.6440 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -3.2270 0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -0.6620 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -0.9450 1.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -0.1880 2.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1410 -0.5070 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.3390 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 1.9190 3.9480 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 3.6690 3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 4.2420 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 5.6140 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 6.4180 3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 5.8510 4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 4.4800 4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 6.7160 5.6290 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9140 7.9250 5.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 6.2170 6.4280 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.7600 3.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -0.4990 4.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 0.2090 3.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -1.0870 5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 1.1060 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 1.0440 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 1.5870 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -1.2250 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.7070 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -0.7510 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -0.6710 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -2.9010 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -3.0240 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -4.1920 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 1.7630 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 1.6550 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 3.6160 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 6.0600 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 7.4910 3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 4.0370 5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -1.3260 4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -1.6900 5.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 -0.2830 6.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -1.7140 5.2880 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 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END