IBS-ZINC02108713 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 32 0 0 1 0 0 0 0 0999 V2000 0.0000 1.5550 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.0280 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -0.5380 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -2.0690 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -2.6700 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4460 -2.2550 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -4.2180 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -4.6850 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 2.1230 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 3.6500 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 4.2200 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 5.7470 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 6.3740 0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.9640 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.8720 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.2890 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.3800 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -0.2050 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -0.1370 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -2.3770 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -2.4750 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 1.7110 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 1.8110 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 4.0620 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 3.9610 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 3.8070 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 3.9090 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -4.7520 -1.1160 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4870 -2.3620 1.2780 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3350 -1.7980 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -2.0460 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -3.3620 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 6.1970 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 29 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 1 M CHG 1 33 -1 M END