IBS-ZINC02230206 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.0840 1.4550 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.0600 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.5310 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -2.0580 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -2.5640 -2.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2270 -2.1900 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -4.1000 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -4.8120 -3.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -4.6090 -1.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -6.0330 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -6.3630 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -7.8610 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -8.3060 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 -7.4170 1.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -2.1130 -3.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -1.6180 -4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -1.5390 -4.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -1.1720 -5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.6520 -7.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.2400 -8.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.3470 -8.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -0.8680 -7.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -1.2800 -5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -1.8080 -4.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -1.9010 -4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -2.2400 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -2.7020 -2.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 1.9280 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 1.8260 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.7690 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.4010 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -0.5030 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.1730 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -0.0840 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -2.3850 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.5170 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -3.9880 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -6.5390 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -6.3600 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -5.8260 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -6.0040 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -8.3900 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -8.2100 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -0.5660 -6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 0.1640 -9.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.0260 -9.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -0.9470 -7.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -9.5430 0.9630 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 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 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 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 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 48 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 48 -1 M END