IBS-ZINC05070917 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -7.6860 3.5710 -5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 2.8400 -4.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 3.3230 -4.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 0.5250 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 2.3940 -3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 1.3890 -3.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1260 1.6580 -4.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 2.3640 -2.6450 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 1.7020 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 2.5160 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 2.0810 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 1.6330 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 1.2380 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9240 1.2960 3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 1.7400 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 2.1140 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 2.5570 2.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 1.4530 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.8200 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 2.6440 2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 3.0030 1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 2.5480 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 1.7350 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 1.3740 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 0.1670 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -0.4600 -0.2920 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.6540 3.7620 -5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2520 4.5350 -5.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8550 2.9930 -6.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 3.5870 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8120 1.5870 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 0.8880 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 0.9940 4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 1.7930 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 1.2670 3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 0.5260 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 3.0170 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 3.6430 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 2.8330 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 1.3850 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 0.7440 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 -0.2590 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 30 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 2 0 0 0 0 M CHG 1 26 -1 M END