IBS-ZINC02145254 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 3.1810 -1.3260 -3.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -2.4720 -3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.9910 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -4.0700 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -4.6340 -2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -4.1480 -3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -3.0690 -4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -6.0310 -1.6850 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -6.6820 -2.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -6.7510 -0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -5.2870 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -4.8910 -1.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4190 -4.8650 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -3.5250 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -2.3680 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -1.8310 -2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -0.7600 -3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -0.2160 -2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -0.7450 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -1.8170 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -5.9330 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -6.4810 0.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 -6.1640 -1.8280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -5.5680 -3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3930 -5.6910 -3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7080 -7.0250 -2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -7.1090 -1.4670 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1660 -6.7430 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -8.6000 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -9.0520 -2.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -1.7030 -4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.7210 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -0.6640 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -2.5540 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -4.4610 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -4.5970 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.6920 -5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -5.7300 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 -3.3450 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -3.5180 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -2.2400 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -0.3490 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 0.6150 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.3270 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -2.2280 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -4.5310 -3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -6.1590 -3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9000 -4.8820 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7050 -5.6510 -4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 -7.0730 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 -7.8360 -3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -9.2110 -0.3810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 M CHG 1 52 -1 M END