IBS-ZINC00527097 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.0430 1.0830 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.3260 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.7150 -0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -1.9480 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -2.7680 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -4.0230 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -4.4720 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -3.6720 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -2.3960 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -1.5340 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 -2.0740 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 -1.3750 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5940 -0.1580 -0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5510 -2.1660 -0.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -3.4700 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 -3.7910 -0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -4.4050 -0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8380 -4.1180 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5760 -5.4730 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5550 -6.4350 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2100 -5.8670 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 1.3800 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.0910 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 1.7820 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -1.0250 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.3340 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -2.4260 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -4.6580 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -5.4550 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -4.0270 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -0.4710 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1630 -3.5320 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0400 -3.5700 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4940 -5.4210 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7870 -5.7800 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6120 -6.3760 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7050 -7.4590 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0080 -6.2320 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -6.1380 0.4190 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 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END