IBS-ZINC02217397 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -0.7680 0.0100 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.0020 -2.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -0.3630 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -1.0980 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -0.7800 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 0.2730 3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 1.0090 2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 0.6930 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 0.6130 4.9520 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2490 -0.0350 5.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 1.5410 4.9350 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.4050 -1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -0.6810 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -1.9190 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -2.1970 -4.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -1.2420 -4.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.0070 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 0.2780 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -1.5420 -6.0720 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3270 -2.6300 -6.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.7020 -6.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -1.9210 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -1.3550 4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 1.8310 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 1.2700 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -2.6650 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -3.1600 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 0.7370 -4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.2440 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 21 1 M CHG 1 23 -1 M END