CHEMDIV-ZINC07001998 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 -1.3350 -6.2540 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -6.7380 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -7.0770 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -7.4740 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -7.3620 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -6.9160 1.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -6.6770 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -6.2500 2.8040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -6.0870 4.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -6.3600 4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -6.8960 3.8620 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -6.2450 6.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -5.7620 6.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -5.7860 8.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -4.8960 8.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -5.3910 8.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -5.3790 6.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -4.9630 10.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -5.6520 10.8590 O 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 -0.8170 -6.6280 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -6.6180 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -7.0500 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -7.8050 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -7.5900 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -6.4060 6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -4.7420 6.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -6.8080 8.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -5.4130 8.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -3.8670 8.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -6.4070 8.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -4.7360 8.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -4.3610 6.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -5.7440 6.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -4.7850 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -4.4210 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -4.2580 10.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 -4.3330 11.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M END