IBS-ZINC02120928 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 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 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 -1.9930 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -2.6820 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -2.0930 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.1830 -0.2620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7990 -4.4630 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -4.8000 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -5.9950 1.4110 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -6.0460 -0.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5280 -6.7570 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -4.6320 -0.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -4.2340 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -3.2710 -2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -5.1370 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 -6.2710 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -7.2800 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7740 -7.2100 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3070 -6.1240 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4680 -5.0560 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9780 -3.9870 -2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 -4.0810 -3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6440 -6.0650 -1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4360 -7.1590 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -5.5250 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -3.7240 2.1910 C 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 0.7570 -1.6010 1.2360 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 -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 -0.5720 -2.4640 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -8.1310 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4220 -8.0070 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4800 -3.1610 -3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 -4.2280 -3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 -4.9240 -3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3400 -7.2430 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4810 -6.9870 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0930 -8.0820 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -4.8180 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -5.9530 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -6.3210 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -3.2580 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.1810 3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -2.9680 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 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 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END