IBS-ZINC02247737 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -0.0700 0.2400 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -1.2720 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -1.6340 0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -2.9330 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -3.7420 0.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -3.3840 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -4.9010 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -5.3600 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -4.5920 -0.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3060 -3.1240 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -2.6900 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -5.2210 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -6.4340 -2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 -4.4390 -2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7180 -3.5920 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3770 -2.8620 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9930 -2.9700 -4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9490 -3.8110 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -4.5380 -4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -5.4300 -4.6980 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9150 -5.6170 -5.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -5.9760 -3.8380 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.6420 -2.2510 -5.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1970 -2.4100 -7.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4010 -2.0370 -3.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7410 -1.9760 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 0.5110 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 0.7580 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 0.5260 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -1.5580 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -1.7900 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -3.1240 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -5.1590 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -5.3930 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -6.4220 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -5.1840 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 -2.7120 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -2.7660 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -1.6100 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -2.9700 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0140 -3.5100 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 -3.8930 -6.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3040 -3.4530 -7.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7980 -1.7820 -7.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -2.1160 -7.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0320 -2.9680 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8790 -1.6300 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5710 -1.2840 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END