IBS-ZINC05454548 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 53 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -5.0600 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -4.9590 -2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -5.3150 -3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -5.7720 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -5.8760 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -5.5220 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -5.5200 0.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -5.0760 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -5.0800 2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -5.5240 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -5.7980 1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -5.6760 4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -6.2450 4.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -6.3860 6.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -5.9630 7.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -5.3940 6.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -5.2560 5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -5.0650 7.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -5.8100 8.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -5.9900 8.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -4.6020 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -5.2360 -4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -6.0480 -3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -6.2330 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -6.1720 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -6.5760 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -6.8270 6.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -4.8180 5.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -6.7740 8.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 -5.2400 9.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 43 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 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 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 46 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END