IBS-ZINC06662309 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0760 1.4600 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0040 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.6700 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0700 2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.1420 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8920 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.2350 2.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -5.0220 3.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4870 -4.5470 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -6.4350 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -6.3700 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -6.3260 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -6.2720 1.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -6.2340 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -6.2800 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -6.3350 3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -6.3490 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -6.3060 5.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 -6.2480 5.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -6.2400 3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -5.0970 3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -4.5490 3.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.7820 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -3.9930 -0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -1.9880 -1.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.6520 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 0.0060 -2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 1.8560 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.8120 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.8020 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -2.4000 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -4.6820 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -7.0460 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -6.8770 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -6.3340 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -6.3940 5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -6.3160 6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 -6.2140 5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 -6.1930 3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.3920 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -5.7720 5.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -5.7920 5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 41 42 1 0 0 0 0 M END