IBS-ZINC05177451 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 1.4390 1.8020 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 0.3230 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.4680 1.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -1.8160 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -2.6430 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -4.0110 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -4.5590 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -3.7300 2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -2.3620 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -5.9460 1.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -6.7960 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -8.1730 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -8.9870 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -8.4260 -0.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -7.1120 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -6.3060 -0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -6.5660 -2.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -7.3870 -3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -8.5880 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -9.3960 -3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -9.0110 -4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 -7.8150 -5.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -6.9980 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -5.8260 -4.7820 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -10.3640 0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -8.7570 2.2700 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5330 -8.9240 3.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -9.0720 2.2020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5650 2.0900 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 2.4060 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 1.9660 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 0.0360 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 0.1600 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -2.2160 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -4.6550 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -4.1550 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -1.7180 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -6.3120 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -5.6140 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -8.8910 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 -10.3310 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -9.6450 -5.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -7.5170 -6.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -10.7660 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -10.9250 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 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 26 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END