IBS-ZINC02098028 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -2.5520 -0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -3.8950 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -4.4420 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -5.8040 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -6.6360 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -6.0830 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -4.7200 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -8.0970 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -8.5770 -0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -8.8990 -0.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -10.3480 -0.8040 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4260 -10.5590 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -10.9510 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -10.4380 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -9.2790 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -8.8060 -4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -9.4950 -5.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -10.6580 -5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -11.1290 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -9.0320 -6.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -10.9540 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -10.2480 1.5490 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -3.7970 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -6.2270 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -6.7240 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -4.2910 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -8.5160 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -10.6650 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -12.0370 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -8.7430 -2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -7.9010 -4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -11.1960 -6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -12.0360 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -9.3730 -7.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -12.2790 0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -12.6210 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 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 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 51 52 1 0 0 0 0 M END