IBS-ZINC01263599 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 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 -2.7900 -2.5650 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -3.8880 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -4.6630 -0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -4.3790 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -4.7870 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -5.2120 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 -5.6370 1.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -5.6770 2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0850 -6.1300 3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8170 -6.1680 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5780 -5.7620 5.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -5.3180 4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -5.2650 3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -4.8310 2.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 -5.0560 -0.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -4.5640 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -4.2940 -2.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 -5.3550 -1.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3210 -4.4440 -2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4310 -4.7590 -3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3760 -3.7820 -3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4130 -4.0830 -4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5220 -5.3520 -4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5940 -6.3280 -4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5430 -6.0400 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6270 -6.9970 -3.2610 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 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 0.7570 -1.6010 1.2360 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 -3.5340 -1.9480 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0490 -6.4480 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5750 -6.5160 5.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -5.8000 6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -5.0060 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -3.9480 -2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -4.4500 -3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 -3.4550 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2950 -2.7910 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1430 -3.3270 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3380 -5.5790 -5.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6860 -7.3140 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8540 -7.5300 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 50 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 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 55 1 0 0 0 0 M END