IBS-ZINC02233663 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0810 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8120 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -4.8720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -4.1840 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -4.8820 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -6.2720 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -6.9700 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -6.2810 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -7.0010 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -6.2970 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -6.9670 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -8.1800 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -6.1750 -0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -6.5820 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -4.8390 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -4.1810 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -4.1860 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -4.8310 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -7.0010 0.0150 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8720 -6.3830 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -8.2190 0.0090 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6240 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -3.0050 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.2110 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -3.7590 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -3.1040 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -4.3440 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -8.0490 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -8.0810 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END