IBS-ZINC02128954 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.4220 1.9720 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.4690 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -0.0300 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -0.2780 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -1.7980 -0.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 -2.2290 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -2.4540 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.9340 -1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -2.4280 1.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -2.0200 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -2.9260 1.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9540 -3.7750 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 -3.3280 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -4.6270 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -5.4690 2.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 -1.8410 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -0.6620 1.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -2.2230 -1.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -3.2760 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -3.7970 -0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -3.7720 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -4.8380 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -5.2860 -3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -4.6680 -5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -3.6040 -5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -3.1630 -3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -2.1080 -3.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -1.6530 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -1.6100 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.6560 -2.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 2.5240 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 2.3560 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.1910 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 0.3260 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -1.0720 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 0.5620 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.0410 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -0.1100 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 0.1840 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -2.5180 3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 -3.4570 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -5.3240 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -6.1180 -3.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -5.0180 -6.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -3.1340 -6.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -4.7120 4.5780 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.9330 -2.2600 0.7580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 46 -1 M CHG 1 47 -1 M END