CHEMDIV-ZINC02959087 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 0.9800 1.5410 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 0.1690 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.4350 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 0.3870 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 1.7600 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 2.3460 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 3.7890 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 4.1600 0.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 4.6580 -1.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 6.0830 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 6.4230 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 7.9150 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 9.7080 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 9.8250 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 8.9000 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 7.7100 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.7980 -1.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -2.7250 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -3.9940 -1.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -4.7740 -0.6040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5400 -5.0590 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -6.0350 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -5.6410 -2.6020 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -6.4230 -2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -5.6220 -3.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -3.9670 -2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -3.9190 -0.6510 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8130 -4.2610 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.2890 -0.2390 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 1.9720 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -0.4180 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -0.0410 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 2.3340 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 4.3110 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 6.5780 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 6.4160 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 5.8430 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 6.1210 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 8.4930 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 8.2580 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 10.2530 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 9.9910 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 9.4690 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 10.8530 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 8.6050 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 9.3960 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 6.9010 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 7.3350 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -2.1810 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -6.3780 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -6.8420 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -3.3150 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -3.7490 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 8.2290 -0.1090 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7020 7.7870 -0.8130 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 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 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END