IFLAB-ZINC04070866 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.1480 1.8770 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.5220 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.3150 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -1.6810 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -2.5040 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -1.9720 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -0.6120 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 0.2280 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 1.5900 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 2.4130 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 2.1710 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 3.3720 -0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 1.2960 0.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 -0.0630 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 -0.7990 0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 1.8420 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 2.3080 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 2.8150 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 3.2000 2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 3.3350 3.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 3.4120 2.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 3.7160 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7330 5.1550 4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7960 6.6870 6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2950 6.8240 7.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7190 6.7020 7.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1520 5.4200 7.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7520 5.2000 5.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 2.5150 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 0.1220 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -2.1160 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -3.5590 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 -2.6200 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 3.4720 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 1.0720 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3390 2.6800 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 3.1000 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 1.4830 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 2.0380 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 3.6950 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6920 3.3350 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6330 3.0010 4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9970 3.5360 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 5.8790 3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 5.4080 4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7030 6.7190 6.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 7.4600 5.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0310 7.8120 8.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8370 6.0740 8.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2420 5.3840 7.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7370 4.6390 8.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2010 5.9540 5.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0290 4.1950 5.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2420 5.3420 5.8370 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7900 4.6120 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 34 1 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 13 16 1 0 0 0 0 14 15 2 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 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END