IBS-ZINC02270290 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 -0.0420 1.4600 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.0040 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.7200 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -0.2150 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.0650 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -2.4380 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.9570 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -2.1060 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -2.4100 -0.7170 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -0.6980 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.1720 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -0.8670 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -2.0840 -3.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.1170 -4.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 1.2130 -4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 2.0340 -5.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 1.5350 -2.9210 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -0.7290 -6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -0.8450 -6.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 0.1870 -6.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 0.0800 -7.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -1.0580 -6.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -2.0900 -6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -1.9850 -5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 1.8170 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 1.8470 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 1.8060 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 0.8520 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -0.6560 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -3.0970 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -4.0260 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -0.1080 -6.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -1.7210 -6.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 1.0760 -7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 0.8860 -7.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -1.1410 -6.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -2.9790 -5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -2.7930 -5.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 M END