IBS-ZINC02248694 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 0.0720 1.5870 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.0660 0.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4220 -0.2840 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.6360 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -1.3600 1.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.4900 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 0.0200 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 -0.0250 0.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 0.2900 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -0.5660 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -0.8740 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -1.4550 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 -1.7010 4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -1.3790 4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.8050 2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.4170 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -1.2890 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 -1.0040 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -1.4770 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -1.2570 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -0.5680 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -0.1020 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -0.3250 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 0.2250 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 1.9530 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 2.0610 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 1.9470 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 0.4080 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -1.7130 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -2.1480 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -1.5770 4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -0.5570 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.8190 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 0.6240 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -1.1430 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -2.3450 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 -2.0220 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 -1.6230 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 -0.3950 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 0.4360 3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 1.2970 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 0.0610 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -0.4180 0.0780 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.4000 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END