CHEMDIV-ZINC04971502 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -4.8060 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -6.2710 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -7.1200 0.3630 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -8.4960 0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -6.5530 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -6.7750 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -7.5700 -2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -7.3020 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -6.2280 -2.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -5.4380 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -5.7130 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 -4.3550 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 -4.6150 -3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8040 -5.7880 -3.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 -6.3600 -4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 -7.3310 -5.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 -5.7910 -5.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 -6.5560 -7.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -5.6130 -7.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 -4.5940 -6.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -4.4550 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -4.4450 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -6.7430 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -8.4020 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -7.9260 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -5.0950 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -4.4410 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3040 -3.3700 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5320 -4.8260 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 -3.7560 -3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1370 -5.6160 -5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1260 -7.5960 -7.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4520 -6.4370 -7.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 -5.9750 -7.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6710 -5.2930 -8.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6130 -3.9390 -6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9350 -4.0500 -6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 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 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END