IBS-ZINC02287568 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.3500 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -3.7170 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.5700 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -4.0380 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.6710 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -6.0400 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -6.9040 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -8.5420 1.4160 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -7.8920 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -6.5910 2.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -8.6950 3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -10.0560 3.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 -10.8010 4.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -12.1960 4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -12.9540 5.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -14.3330 5.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -14.9590 4.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -14.2070 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -12.8280 3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -14.8930 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -15.1560 6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -8.0460 4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -7.5300 5.8680 N 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 -1.0200 -0.3810 0.0100 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 1.8880 -1.6890 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -4.1260 3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -4.6960 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -2.2580 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -6.6390 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -10.5460 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -10.3600 5.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 -12.4660 6.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -16.0370 4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -12.2410 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -15.0740 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -14.2600 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -15.8440 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -15.3690 7.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -16.0930 6.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -14.6020 7.1500 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 3 0 0 0 0 M END