IFLAB-ZINC04305641 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -4.0690 7.0640 -4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 8.7150 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 8.4300 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 9.8620 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 9.9330 -0.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 9.4780 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 8.9380 0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 9.6970 2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 10.1970 1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 9.2940 3.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 9.4320 4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 9.7460 5.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5540 9.4290 6.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 11.2390 5.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 11.8940 6.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 13.2910 6.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 13.6670 5.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 12.3410 4.4220 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 8.9360 5.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 9.4570 4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 8.2440 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 7.1090 5.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 7.5730 5.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 6.6740 6.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 5.3160 6.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 4.8660 5.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 5.7690 5.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 7.1080 -5.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 6.2780 -3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 6.9130 -4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 8.0010 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 8.6400 -4.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 9.7380 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 8.0030 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 7.7770 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 10.4970 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 10.2970 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 10.3420 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 8.8550 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 8.4640 4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 10.1740 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 11.3870 7.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 13.9830 7.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 14.6580 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9330 10.0700 5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 10.0770 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 8.3300 5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4960 8.1380 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 6.9970 6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 4.6030 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 3.8080 5.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8710 5.4280 4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 8.3910 -3.6330 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8560 9.0980 -4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 53 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END