CHEMSTAR-ZINC04014689 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 70 0 0 0 0 0 0 0 0999 V2000 0.0790 1.5260 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.0040 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -0.4980 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 0.0190 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 0.0200 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -2.0050 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.7090 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -4.0900 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -4.7720 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -4.0640 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -2.6820 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -4.8010 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -3.7920 -4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -5.6780 -2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -5.6810 -4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -6.4300 -5.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -6.1300 -1.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -6.7930 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -8.3080 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -9.0170 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -10.5090 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -10.9600 -0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -11.3420 1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -12.7260 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -13.3130 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -14.6780 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -15.4620 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -14.8850 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -13.5180 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -12.9490 2.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -16.9240 0.6890 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2490 -17.4350 0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -17.6170 1.0890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1040 1.8950 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 1.8940 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 1.8780 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -0.3730 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -0.3740 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 1.1080 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -0.3330 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -0.3510 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -0.3480 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -0.3320 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 1.1100 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -2.1780 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -4.6390 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -2.1310 -3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -3.1650 -3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -4.3250 -5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -3.1680 -4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -6.3960 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -6.2110 -3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -5.0510 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -6.4000 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -5.0560 -4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -5.7110 -6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -7.0540 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -7.0570 -5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -6.5050 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -6.5080 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -8.5960 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -8.5930 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -8.7290 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -8.7320 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -10.9830 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -12.7020 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -15.1340 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -15.5010 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -12.6700 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 20 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 21 1 0 0 0 0 20 63 1 0 0 0 0 20 64 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 65 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 67 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 30 69 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END