IBS-ZINC01770776 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3740 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.6880 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 0.0150 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0830 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.5630 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0820 4.1520 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 4.1910 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5000 -0.7950 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -2.0690 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -2.4130 -0.0260 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -3.2910 -0.0590 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -4.7930 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -6.0020 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -6.6390 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -7.6960 0.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 -8.7170 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 -9.5420 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 -8.9780 -1.3820 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -7.6360 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -6.6290 -1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.9900 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -4.8130 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -4.8030 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 -6.3770 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -8.8410 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 -10.3820 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END