IBS-ZINC04090434 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 -0.0020 1.6500 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 0.1650 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -0.1590 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.2420 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -0.1320 -1.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4880 0.8510 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -0.2760 -2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 0.4220 -2.3910 P 0 0 3 0 0 0 0 0 0 0 0 0 4.7210 1.8310 -1.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 0.1910 -4.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4980 0.4510 -4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 0.9750 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7040 1.4330 -5.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8430 2.1490 -6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8420 2.4090 -5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 1.9470 -3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5680 1.2310 -3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -0.6270 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -0.8710 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.1940 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -2.0460 0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.8890 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 2.2810 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.9270 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -0.4150 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 0.4000 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -1.2270 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 0.0930 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -1.2720 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 0.3890 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -1.3270 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 0.2640 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 1.2290 -6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 2.5010 -7.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7280 2.9660 -5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4840 2.1420 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 0.8760 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 -1.2560 -4.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 -1.7810 -4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -1.5010 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -1.0920 0.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 M CHG 1 41 -1 M END