IBS-ZINC02303171 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 0 0 0 0 0 0999 V2000 -0.3410 1.2740 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.1220 -0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -0.6380 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 0.1230 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -0.4840 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -1.8720 2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -2.6450 1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.0300 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -2.7890 -0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -2.6540 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -4.3940 1.9180 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -4.9630 0.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -4.6140 2.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -4.9510 2.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -5.2260 1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -5.0490 2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -3.7180 2.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -3.4900 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 0.2920 4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 1.4400 4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 2.2130 5.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 1.7930 6.4150 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5840 1.8540 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 1.5040 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 1.5580 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 1.1980 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -2.3450 3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -2.6720 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -3.5050 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -1.7410 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -5.5660 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -4.5240 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -6.2480 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -5.2290 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -5.7370 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -0.1230 5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 1.8590 3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 3.1980 5.1330 O 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 2 0 0 0 0 M CHG 1 22 -1 M END