IBS-ZINC04939504 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.5530 0.0930 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -1.2610 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.6270 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -2.9970 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -3.4630 0.1070 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8730 -2.5710 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -3.0050 1.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7990 -2.5460 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -5.3730 0.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9670 -5.1730 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -4.9590 0.5320 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5690 -5.5620 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -5.2730 1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -6.8530 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -7.7390 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -9.1090 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -9.6190 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -8.7610 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -7.3880 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 -2.5060 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -3.3410 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 -2.8160 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8260 -1.4450 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 -0.5950 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 -1.1190 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -3.3980 -1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 0.3340 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 0.0940 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.8850 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.0250 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.2380 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -0.8510 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -1.6360 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -3.7370 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -2.9750 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -2.5750 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -1.5310 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -4.7060 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -6.3360 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -5.0540 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -7.3690 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -9.7770 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -10.6860 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 -9.1630 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -6.7660 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0460 -4.4170 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3950 -3.4810 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -1.0420 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 0.4790 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -0.4150 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -2.4730 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 -4.4760 1.3460 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1120 -4.6080 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 -4.7830 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 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 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END