IBS-ZINC02197333 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.1840 1.1980 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -0.0950 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -0.6280 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 0.1390 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 1.4260 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 1.9620 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 2.2050 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 3.3420 0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 1.5800 -0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 0.2910 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 -0.2590 -1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -0.3860 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -1.3220 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 2.3330 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 2.3330 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 3.2410 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 3.2280 2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7130 1.8180 3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4600 0.9350 3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 0.9180 1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8880 1.1660 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3950 1.6410 1.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3200 -0.0050 3.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3670 -0.8190 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6480 -2.0460 3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6930 -2.8880 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3590 -3.2850 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.6100 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -0.6880 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -1.6350 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 2.9690 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 1.9340 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6560 3.3670 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 2.7490 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 2.9360 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 4.2720 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3220 3.8220 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 3.7340 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 1.9120 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 -0.0950 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 1.3130 3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 0.3030 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4810 0.4320 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 -0.3170 3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 -1.0830 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2640 -0.1970 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9980 -1.7560 4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7400 -2.6460 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7540 -3.0960 3.3080 O 0 5 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 28 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 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 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 M CHG 1 49 -1 M END