IBS-ZINC02274104 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.0580 0.8910 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.6160 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.9930 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -2.4000 1.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -2.9020 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -4.2620 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -4.7770 3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -3.9280 4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -2.5590 4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -2.0550 2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -4.4710 5.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -5.5820 5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -6.2950 6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -6.1090 7.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -6.9880 8.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -8.0560 8.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 -8.2580 6.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -7.3820 5.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -7.2930 4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -8.0580 3.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -6.2280 4.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -3.8040 6.8340 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9750 -2.9060 7.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.1520 7.6160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1050 1.1570 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.1590 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 1.4290 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -0.8820 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -1.1540 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -0.7270 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -0.4550 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -4.9170 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -5.8340 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -1.8980 4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -0.9990 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -5.2800 8.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -6.8440 9.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 -8.7350 8.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -9.0920 6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END