IFLAB-ZINC04303289 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 0 0 0 0 0 0999 V2000 -0.0730 1.2450 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.2780 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.6810 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -0.9180 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.7330 -1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -0.2600 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 0.5080 -0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -0.6880 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 0.1150 -2.5050 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -0.4510 -1.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 -0.4950 -3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -1.6030 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5490 -2.0810 -5.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -1.4520 -6.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -0.3450 -6.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8940 0.1310 -5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 1.3140 -5.2420 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7100 1.8040 -6.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 1.7960 -4.2120 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9360 -1.9640 -7.5340 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6640 -2.9400 -7.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 -1.4100 -8.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9160 1.7010 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 1.5320 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.5860 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -0.3400 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.7660 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.2250 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -0.6310 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -2.0030 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -0.5770 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -1.7700 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -0.3980 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -2.0940 -2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 -2.9470 -5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 0.1460 -7.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 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 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END