IBS-ZINC06661326 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 0.5550 1.6450 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 0.2880 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -0.6670 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -0.2290 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 1.1290 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 2.0620 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.5620 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 0.6480 2.3930 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1020 -2.0840 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -2.8790 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -4.2000 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -4.1580 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -2.8530 -0.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -5.2070 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -4.9170 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -5.8990 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 -5.8020 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 -6.8530 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 -6.8230 -0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 -7.9050 0.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5570 -8.6530 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 -8.0200 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -8.9770 1.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -6.9950 0.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -7.0820 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 -4.6930 -1.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1070 -3.6400 -0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 -4.8780 -2.3020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0960 2.3820 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -0.0070 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -0.9540 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 3.1220 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -2.5570 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -5.0860 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -6.2270 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.8740 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 2.8070 1.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 37 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 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 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 8 -1 M CHG 1 26 1 M CHG 1 28 -1 M END