IBS-ZINC06759386 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.1090 1.0480 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.4510 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -0.6790 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -2.1820 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -2.7430 0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.5040 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -0.9970 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -3.4620 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -3.7600 2.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -3.8910 1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -3.4950 0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -4.7190 2.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -5.1170 2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -5.9530 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 -6.2080 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -5.5680 2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -4.6300 1.5010 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.1290 -5.6440 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8480 -6.8490 2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6980 -6.7980 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 -7.1000 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -6.5330 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -5.9430 5.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.4370 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.2110 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 1.5640 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.9660 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -0.2690 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.1840 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -2.6660 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -2.3460 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -3.0130 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -2.8800 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -0.5000 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -0.8130 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -5.0360 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6740 -4.7320 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0720 -5.7640 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9050 -6.8160 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4040 -7.7700 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9670 -5.8050 4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3530 -7.5410 4.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0240 -8.1460 3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0900 -6.8990 5.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -7.7210 4.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -8.0640 5.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 45 46 1 0 0 0 0 M END