IFLAB-ZINC04163324 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.2740 1.1490 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 0.1510 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -0.1670 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 0.5530 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.5610 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 1.8590 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 2.0760 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 1.3560 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 0.4510 -2.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -0.2000 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 3.1350 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 3.6530 1.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 3.6650 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 3.5770 -1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 4.2540 1.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 4.8060 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 6.2180 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 6.7940 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 8.9620 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 9.9850 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0620 9.1780 -2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 8.2810 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.3800 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -0.3900 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -0.9460 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 2.6350 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 1.4050 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 4.2950 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 4.8100 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 4.1440 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 6.1980 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 6.8610 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6520 6.8720 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9520 6.1950 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3610 8.2640 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4650 9.3980 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8290 10.7980 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5240 10.4200 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7040 9.8090 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8840 8.5640 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 8.7250 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9880 7.2820 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2440 8.1890 -0.1120 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4930 8.7080 0.3630 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END