IBS-ZINC02136853 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 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 0.7350 -0.4890 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -1.0130 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -1.3540 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -1.9170 3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -2.1060 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -1.7600 5.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.2000 4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.9950 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -0.4760 2.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -0.1460 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -1.1940 -0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8260 -0.9020 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -0.3120 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.4600 -1.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.0150 -2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.2350 -3.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -1.3830 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -1.1080 -1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.5060 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.3440 1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -1.5320 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 -2.9530 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -2.9560 1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -2.6390 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -3.2340 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -4.5590 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -5.2920 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -4.7020 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -3.3710 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -2.7860 -0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -3.6010 -0.4270 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 4.3400 -2.1900 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.5390 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -1.9330 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -0.9340 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 0.7300 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -0.6250 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -0.8150 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -2.4460 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -0.8540 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -1.5120 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -3.3010 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -3.6140 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -3.8270 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -2.6630 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -5.0220 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -6.3280 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -5.2760 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 -3.0130 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 -4.4530 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 -3.9570 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 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 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M END