CHEMSTAR-ZINC04016490 MOE2007 3D CORINA 3.40 0006 02.08.2006 89 91 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 3 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 0.7420 -0.5110 1.2420 C 0 0 3 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 2.1560 0.0110 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -0.7620 1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.3340 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 1.7640 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.9760 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.6670 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -2.0760 2.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -4.1730 1.7250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1770 -4.5300 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -4.6720 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -6.1720 2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -6.7460 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -8.1210 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -8.9260 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -8.3480 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -6.9720 3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -10.2790 2.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -11.0450 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -12.5140 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -13.1800 3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -14.5270 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -15.2080 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -14.5420 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -13.1960 2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -4.6820 2.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -4.8210 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -4.5260 0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -5.3440 2.1660 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7070 -6.3440 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -4.4120 3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 -4.9990 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -5.8480 5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4680 -6.3860 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -6.0740 5.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9050 -5.2250 4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8000 -4.6840 3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -5.4020 1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 -6.2640 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 -6.9940 2.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9110 -6.3180 0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9870 -7.2700 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 -6.9420 1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9740 -7.1860 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4090 -8.6840 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 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 4.2780 1.3760 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 1.3860 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 2.8530 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.4480 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -4.2220 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -4.3910 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -6.1180 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -8.5680 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -8.9720 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -6.5220 4.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -10.8010 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -10.8120 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -12.6480 4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -15.0470 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -16.2600 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -15.0740 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -12.6760 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -4.9180 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -4.3000 4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -3.4380 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 -6.0910 5.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3380 -7.0490 6.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6020 -6.4950 5.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8980 -4.9820 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 -4.0170 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -4.8200 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1240 -5.9350 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5200 -7.6570 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0090 -7.0020 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 -7.4190 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7820 -7.9010 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3860 -6.1780 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 -8.7440 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2170 -9.3990 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -8.9170 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -1.4640 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 50 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 57 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 15 16 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 60 1 0 0 0 0 18 19 1 0 0 0 0 18 61 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 62 1 0 0 0 0 21 63 1 0 0 0 0 22 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