IBS-ZINC02139942 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.0900 0.7930 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 1.3330 3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 2.0770 4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 3.5640 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 4.4110 4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 5.7650 4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 6.3020 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 5.4980 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 4.1020 2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 3.1840 1.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4590 3.3180 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 3.5250 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 3.0400 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 2.0930 0.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 3.6450 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 4.5390 -1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 5.0740 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 4.7200 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 3.8230 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 3.2860 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 2.3940 0.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 5.1680 -3.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3020 6.0790 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 5.9080 1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 7.2810 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 7.6560 3.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 7.9020 5.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 6.7010 5.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.2480 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 0.9970 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.0010 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 1.6030 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 0.2520 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 1.7730 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 1.8150 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 4.0240 5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 4.6000 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 3.0440 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 4.8340 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 5.7630 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0550 3.5350 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 2.0340 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 6.3340 -4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 7.0050 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 5.6190 -5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 7.4040 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 7.9150 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 7.5870 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 8.3940 5.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 8.5750 4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 1.6760 1.8540 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7980 1.4740 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 51 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END