IFLAB-ZINC05255647 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 0.1010 1.5020 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.0040 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -0.7350 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.4590 0.8240 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -2.1880 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -0.7280 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -0.1500 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 0.7960 -2.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 1.2490 -4.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 2.2580 -4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 2.5670 -6.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.9190 -6.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 0.9350 -6.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 0.5760 -4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -0.6130 -3.6100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.1400 -1.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -4.4390 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -4.7450 -0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -5.4900 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -5.1420 -3.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -6.1300 -4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -7.4620 -4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -7.8140 -3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -6.8370 -2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -9.2420 -2.7020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6640 -10.1760 -3.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -9.5780 -1.4360 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3450 -0.1360 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 1.8350 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.8850 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 1.8750 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 2.7790 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 3.3350 -6.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 2.1930 -7.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 0.4420 -6.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.8960 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -4.1030 -4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -5.8620 -5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -8.2310 -5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -7.1130 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 0.0390 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -0.8230 3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 0.8100 2.4300 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END