IBS-ZINC05033947 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6590 1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0350 2.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.6450 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.8620 3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.0830 4.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.4670 6.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 0.6220 6.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 1.7150 6.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 1.4390 4.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 2.0930 4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.5510 8.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 0.1720 8.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 1.9140 9.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5050 8.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7340 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1310 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.8080 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.1060 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.7230 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0330 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.8390 -4.9710 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0120 -4.0570 -4.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -2.2250 -6.0220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.0050 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.5150 6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 0.9240 8.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 0.1200 9.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -0.7990 8.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 2.1830 8.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 1.8620 10.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 2.6660 8.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -1.4760 8.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -0.5570 9.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -0.2360 8.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -2.6800 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.8880 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.1820 -4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 1.0470 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END