IBS-ZINC02275258 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -0.1970 1.5560 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.1640 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.0060 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.2550 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -2.3730 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -2.2620 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.9700 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -0.7910 -2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -3.4220 -1.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -4.3120 -1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -4.8420 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -4.3910 -3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -3.8410 -2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -6.1030 -5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -7.2070 -5.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -7.6080 -4.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -7.7630 -6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -8.5040 -6.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -8.9090 -8.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -8.3810 -8.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -7.6760 -7.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -7.0780 -8.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -7.1750 -9.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -7.8630 -10.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -8.4770 -10.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -9.7700 -8.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -8.8630 -5.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 1.9050 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 1.5790 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 2.2650 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 0.8700 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -1.3690 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -3.3540 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 0.1560 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -1.5660 -3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -0.8170 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -3.7990 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -5.1510 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -4.0430 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -5.6360 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -4.8750 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -3.6000 -4.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -4.6250 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -3.0260 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -6.5540 -5.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -5.3210 -5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -6.5360 -7.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -6.7090 -9.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -7.9320 -11.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -9.0180 -10.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -9.1530 -9.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -10.2520 -9.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -10.5490 -8.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -8.0480 -5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -9.0520 -6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -9.7590 -5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -5.4310 -3.6820 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1810 -6.1920 -3.0330 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 57 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 57 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 26 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 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 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END