OTAVA-ZINC05284634 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.1670 1.5950 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 0.0650 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -0.4410 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -0.4420 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -0.0410 -1.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0210 1.0370 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -0.4330 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -1.2050 -2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -0.7260 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -0.0280 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 1.1890 0.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.8320 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -0.3950 3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 -1.3530 4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -1.0170 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -1.9210 5.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 -3.1580 5.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -3.4990 5.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.6040 4.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -4.1230 6.9650 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4800 -3.8270 7.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -5.2130 7.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6460 -2.5090 1.4970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -2.0630 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -3.1380 -1.0260 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 1.9560 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.9630 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 1.9570 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.3020 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -0.0730 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -1.5310 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -0.0790 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -1.5280 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -0.0030 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 0.6570 3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -0.0520 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 -1.6630 6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -4.4670 5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -2.8690 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 0.0760 -3.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -0.2040 -4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 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 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 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 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END