IBS-ZINC02087228 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 0.0190 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -0.5850 2.7080 P 0 0 3 0 0 0 0 0 0 0 0 0 2.9750 -2.0620 2.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -0.0790 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -0.6900 3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 -0.2710 3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4380 0.8860 4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7640 1.2710 4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 0.4970 3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2570 -0.6610 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 -1.0480 3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 0.0400 4.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -0.8260 1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -1.4860 -1.2360 H 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 0.2320 -0.1590 2.1380 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 2.6880 -0.3330 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 1.1090 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 -0.4270 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.0080 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -0.3410 4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -1.7770 3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7270 1.4910 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0890 2.1750 4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7100 0.7970 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9680 -1.2650 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 -1.9540 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.0070 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.6570 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4780 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.1040 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -0.9950 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 18 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 M END