IBS-ZINC02130106 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.0010 1.4590 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.0710 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.5920 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -0.5720 0.0300 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9660 -0.2000 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -2.0790 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -2.6850 0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -0.0860 1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -0.6460 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 1.1390 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 1.8400 0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 1.6390 2.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7090 1.6660 3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 0.7140 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 0.9120 3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 0.0630 4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 -0.9820 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 -1.1790 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 -0.3280 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 2.9870 2.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 3.1640 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 2.2220 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 4.5300 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 4.7960 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 6.0920 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2910 7.1250 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 6.8750 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 5.5790 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 5.2850 2.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 5.9980 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 4.0200 2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 3.8040 3.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 1.8160 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.8310 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.8210 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.4320 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.2310 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -1.6820 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -0.2350 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 1.7290 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 0.2170 5.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4650 -1.6460 3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -1.9960 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -0.4800 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8270 3.9930 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 6.3030 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 8.1350 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 7.6860 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -2.7480 -0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -3.7130 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 49 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 49 50 1 0 0 0 0 M END