IBS-ZINC04837624 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0750 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7500 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.9670 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.8940 -4.7970 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8490 -3.5710 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -2.0580 -6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -2.1790 -8.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -1.3680 -8.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -1.2300 -8.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -3.1390 -9.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -3.6530 -4.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2520 -0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0800 -4.8630 1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.8580 -1.0660 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 0.0240 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6260 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1430 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -1.3510 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -1.3250 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -1.3820 -6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -1.4800 -6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -0.6850 -7.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -2.0440 -8.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.7970 -9.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.6600 -9.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.8080 -8.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.5470 -7.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -3.8150 -9.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -3.7170 -9.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.5680 -10.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -3.1140 -4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.9490 -7.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -3.6280 -7.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 41 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 13 41 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 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END