IBS-ZINC04090404 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 3 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.1720 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.1330 3.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5950 -0.4500 3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 -2.5260 3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -2.9740 4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -3.6740 5.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -4.0850 6.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -3.7970 6.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -3.0980 5.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -2.6900 4.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.2010 4.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -0.1040 5.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 0.9420 5.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -0.1660 6.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -1.4190 6.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -1.1120 7.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -1.9470 6.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 0.0790 7.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 1.0780 7.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 0.9610 7.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.9400 7.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 3.0380 8.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 3.1550 8.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 2.1810 8.6900 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 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -3.2280 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -2.4930 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -3.8990 5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -4.6310 7.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -4.1170 7.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -2.8720 5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -2.1480 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -2.0350 4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -2.0970 5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.8840 7.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 0.2460 7.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 1.8480 6.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 3.8040 8.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 4.0130 9.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 2.2760 9.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.1660 -2.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.5000 -3.2160 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 6 1 0 0 0 0 4 5 2 0 0 0 0 4 51 1 0 0 0 0 6 7 1 0 0 0 0 6 35 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 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 51 52 1 0 0 0 0 M END