IBS-ZINC04591052 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0050 1.5040 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0030 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.7290 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.0940 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.8500 3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.2460 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.8910 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.1460 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.7340 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.0020 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.6710 -1.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6440 -2.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -4.0160 -2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -4.7180 -1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -6.3660 -1.4280 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -6.7940 -2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -6.5760 -2.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -6.9000 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -4.6420 -3.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.2360 4.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -1.0800 5.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 1.8790 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.8660 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.8570 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.9840 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.8220 4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -3.9700 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -2.1280 -3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -6.5970 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -7.9850 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -6.4400 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -4.1160 -4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -5.6110 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -1.6990 5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.4650 6.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.7190 5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END