IBS-ZINC05197854 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.9690 1.3910 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 0.0180 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.7080 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -1.9370 0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.0850 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -4.1620 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -4.1040 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -3.0050 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -1.8630 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -0.7030 -1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.4220 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -0.5260 3.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.0230 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 0.1330 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 0.8550 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 1.2410 3.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 1.0250 4.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 0.4460 4.5590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6410 1.2700 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -0.6530 5.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -0.5390 6.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -1.5360 7.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.6570 7.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -2.7720 6.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -1.7890 5.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -3.8440 6.5900 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 1.7570 5.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 3.2710 5.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 4.0300 6.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 5.4720 6.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -0.2510 1.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 2.1080 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 1.6830 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 1.4580 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -3.0680 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -5.0730 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -4.9800 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -2.9600 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.3300 6.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -1.4360 8.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -3.4380 8.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -1.9250 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 1.4310 6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 1.4880 5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 3.6200 4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 3.5290 5.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 4.4420 5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 2.9990 6.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 4.6340 7.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 5.4410 6.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 5.9640 5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 5.9760 7.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -0.5610 4.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 4.0520 6.7010 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3300 3.6290 7.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 31 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 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 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 54 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 54 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END