IBS-ZINC02418876 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 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 -1.8250 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.6740 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -4.0400 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -4.5860 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -3.7310 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -2.3480 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -4.5950 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -5.9150 3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -5.8920 1.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -6.6780 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -6.9480 3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -6.6310 5.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -5.3720 5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -4.3690 4.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -8.2750 3.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -9.3440 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -10.7020 3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -11.8020 4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -12.3220 5.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -13.3300 6.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -13.8220 6.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -13.2980 5.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -12.2920 4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -13.7780 5.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 -13.1930 4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -14.8140 7.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -15.3020 8.1660 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 -1.0200 -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 -0.2600 -2.2570 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -4.6900 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -1.6890 3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -5.1580 6.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -8.4960 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -9.2450 4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -9.2700 5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -10.8010 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -10.7760 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -11.9390 5.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -13.7350 7.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 -11.8870 3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7540 -13.6650 4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 -13.3430 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 -12.1250 4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -16.0890 8.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -14.4870 8.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -15.7040 7.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END