IBS-ZINC02095631 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -2.0180 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -2.6980 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -4.1080 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -4.7060 0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.8090 1.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -4.1940 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -2.7880 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -2.1470 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -2.8890 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -4.2810 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -4.9320 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -6.4380 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -5.0050 3.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -4.2740 3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 -5.2380 4.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -6.4340 4.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8300 -4.7480 4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8720 -5.4950 5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8330 -4.6750 5.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4750 -3.3540 5.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2090 -3.3330 5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 -2.1200 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2300 -0.9390 5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 -0.9560 5.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1040 -2.1510 6.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0880 -5.1240 6.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9260 -7.0010 5.4490 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 1.7650 -0.1340 1.2340 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 2.6680 -2.1610 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -1.0680 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -2.3940 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -6.8000 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -6.8340 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -6.7700 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -3.6460 4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -3.6470 3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -2.1040 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7550 0.0050 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9690 -0.0250 5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0750 -2.1530 6.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9520 -5.2350 7.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8690 -4.3880 6.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3780 -6.0820 6.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 -7.3630 6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9640 -7.3280 5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3640 -7.4010 4.6060 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 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 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 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END