IBS-ZINC06658800 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -1.2230 -0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.2170 1.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -0.6960 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 -0.4600 1.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -0.9980 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7380 -0.8880 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 -1.5130 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -2.2620 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9770 -2.3820 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -1.7550 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -1.7080 -0.2100 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -1.2380 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -1.5350 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -1.7000 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -2.4890 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -2.8960 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -2.5250 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -1.7440 -4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -1.3250 -3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.5400 -3.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -0.2730 -4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.1490 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 0.5340 -2.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 0.3410 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 -0.3090 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7620 -1.4210 3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9810 -2.7500 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 -2.9660 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -2.7790 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -3.5070 -3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -2.8510 -5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -1.4600 -5.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 M END