IBS-ZINC04899246 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 1.1660 1.2220 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -0.0660 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.6160 1.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -0.0490 2.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -0.5890 3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -1.5410 3.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 0.1250 4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -0.2210 7.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -1.2280 8.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -2.4650 6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -1.4230 5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -2.8120 9.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -3.2440 9.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -4.5860 9.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -5.0150 9.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -4.1120 9.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 -2.7780 9.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.3470 9.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -0.6770 9.9850 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.7440 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -0.6320 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -1.2890 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.0640 -3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -2.1860 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -1.5360 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -2.9620 -2.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 1.0340 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.6490 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 1.9760 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 0.7510 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 0.9240 4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 0.5950 5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 0.1630 7.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.6320 7.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -0.7250 9.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -2.0450 8.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -3.3200 6.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -2.8110 6.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -0.6360 5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -1.9280 4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -3.6680 9.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -2.3200 10.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -5.3160 8.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 -6.0570 8.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 -4.4480 9.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 -2.0840 9.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.0560 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -1.2020 -3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.5770 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -1.6360 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -2.9870 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -0.8400 5.9960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -1.8450 8.2570 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7210 -1.0800 8.3190 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 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 52 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 53 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 10 53 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END