IBS-ZINC04089885 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 59 0 0 1 0 0 0 0 0999 V2000 1.8840 2.6300 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 1.0760 0.6440 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 0.0160 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -1.4040 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -2.3380 3.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3950 -1.9070 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -3.7000 2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -3.8380 1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -4.7260 3.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -6.0880 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -6.2790 4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -5.5750 3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -7.7040 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -7.9320 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -7.6350 6.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -8.3660 6.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -6.2220 6.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -5.9890 5.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -7.7920 7.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 -7.8900 6.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -7.8060 8.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 -7.9120 9.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5900 -8.5640 8.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -6.5370 9.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 -5.8600 8.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -4.3180 9.1100 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.5590 -3.7800 7.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -8.5140 10.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -8.4450 10.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 2.5230 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 3.4110 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 2.9340 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 0.0180 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 0.4380 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.3650 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -1.8310 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -4.4570 4.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -6.3540 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -6.7280 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -7.8860 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -8.4360 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -7.2970 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -8.9690 4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -5.4770 6.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -6.0460 7.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -6.6280 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -4.9510 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -7.7720 8.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 -6.6600 10.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -5.8840 10.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -5.5950 7.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8650 -6.5240 8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1010 -2.8390 7.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -3.6160 6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2480 -4.5260 7.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -9.0010 11.4730 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3680 -2.5650 3.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -1.6900 3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -2.8260 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 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 57 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 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 M CHG 1 56 -1 M END