IBS-ZINC04906410 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0020 1.4020 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 0.0210 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -0.6780 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 0.0050 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 1.3860 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.0840 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 2.1300 -0.0070 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4680 1.5350 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 2.4400 -1.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1970 3.9520 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 4.4390 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 5.6090 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 3.4160 0.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 3.5660 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 3.5720 2.9640 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9950 2.6850 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 3.6420 4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 4.5490 5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 4.9200 3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 4.7680 2.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 4.6290 -2.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 1.8400 -1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 1.6270 -0.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 1.5270 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 0.9810 -3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 0.7790 -4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 1.1450 -5.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 1.7680 -4.4860 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -0.7430 -0.1310 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6530 -1.9590 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.1420 -0.2440 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9330 1.9480 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -0.5130 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -1.7570 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 3.1630 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 4.5040 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 2.7340 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 4.0880 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 2.6490 4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 5.4440 5.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 4.0040 5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 5.9510 4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 4.2400 3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 2.0640 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 0.7340 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 0.3570 -5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 1.0540 -6.5830 H 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 21 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 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 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END