IBS-ZINC05022290 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.6770 2.5310 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 1.1730 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 0.6240 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 1.4430 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 2.8000 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 3.3450 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 5.0520 -0.7490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 0.8610 -0.3650 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5160 1.4740 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -0.2310 -0.8700 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2940 -0.7510 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -1.6310 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -3.0750 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -3.9940 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -5.4380 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -6.3580 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -7.7400 0.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -8.7670 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -8.4660 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -9.4840 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -10.8010 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -11.1040 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -10.0910 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -10.4150 1.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7150 -9.7760 0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -11.3220 1.6840 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9180 -12.0770 1.3620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 2.9580 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 0.5380 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 3.4380 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -1.1210 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -1.3280 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -1.5610 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -3.3780 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -3.1450 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -3.6910 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -3.9240 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -5.7420 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -5.5080 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -6.0540 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -6.2880 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -7.9430 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -7.4380 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -9.2500 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -12.1330 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 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 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 24 1 M CHG 1 26 -1 M END