IBS-ZINC01250892 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.0970 1.1860 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -0.2060 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.8590 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -2.1930 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -2.5180 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -1.2100 -1.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -3.7770 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -3.9960 -2.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -5.2320 -2.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -5.5490 -4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -4.8030 -4.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -6.9540 -4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -8.2750 -6.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -8.2540 -8.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -6.1250 -8.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -6.2060 -6.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -7.5120 -10.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -7.1410 -10.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -8.0500 -10.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -7.7070 -10.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -6.4550 -11.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -5.5410 -11.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 -5.8820 -11.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -6.0370 -12.0770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 1.7710 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 1.1860 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 1.6930 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.4040 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -2.8750 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -4.5610 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -5.8980 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -7.4160 -4.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -7.5480 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -8.7730 -6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -8.8790 -6.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -9.2740 -8.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -7.7410 -8.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -5.5480 -8.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -5.6740 -8.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -6.6990 -6.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -5.1780 -6.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -6.8370 -10.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -8.5230 -10.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -9.0370 -10.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -8.4230 -10.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -4.5640 -12.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -5.1540 -11.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -6.9180 -6.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -7.5190 -8.6070 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8290 -8.0360 -8.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 48 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 13 48 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 49 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 15 49 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 49 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 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END