IBS-ZINC02127869 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.2110 1.8620 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 0.4250 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -0.1340 1.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7240 0.5500 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -1.5000 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -0.2870 2.3370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9260 -0.8870 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -0.9690 3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.3460 4.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -2.2730 3.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -2.7510 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.9670 4.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9380 -2.5790 5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -4.4430 4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -5.1660 5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -6.5210 5.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -7.1520 4.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -6.4280 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -5.0730 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -2.7410 4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -2.0690 3.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.0360 2.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 2.0000 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 3.1950 3.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 3.5690 3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 4.8540 3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 5.1900 3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 4.2670 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 2.9930 3.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 2.6320 3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 1.2890 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 0.4370 2.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 2.4380 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 2.3140 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 1.8600 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -0.1890 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 0.4110 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -1.3920 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -1.8930 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -2.1860 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -4.6740 6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -7.0860 6.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -8.2100 4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -6.9210 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -4.5070 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 1.7590 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 5.5800 4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 6.1850 4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 4.5500 3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 2.2780 3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -3.2860 5.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -3.1130 5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 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 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 51 52 1 0 0 0 0 M END