IBS-ZINC00494151 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -2.8040 1.5480 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 0.6320 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 1.4710 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -0.3190 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -1.6310 -0.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4250 -2.5380 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -1.9760 0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -1.5710 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.3610 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -0.9460 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -0.7390 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.9470 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.3660 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -1.5730 -1.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.1990 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -3.0980 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -3.6200 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9710 -3.2430 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -2.3440 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -1.8260 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3020 -3.8000 -1.6170 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4210 -4.5910 -2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2790 -3.4680 -0.9690 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2230 2.2740 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 0.9510 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 2.0730 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 0.1080 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 0.8360 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 2.2660 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 1.9080 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -2.5900 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -3.5370 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -1.5210 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -0.7830 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -0.4140 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.7840 -3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -3.3930 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -4.3210 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 -2.0500 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -1.1280 0.8790 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 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 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 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 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 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END