IBS-ZINC04981083 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -2.6980 -1.2050 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -1.2160 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.8300 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -0.9960 0.4050 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -1.5880 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -1.6460 -0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -1.9860 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -0.3120 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 1.0640 2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -1.0870 3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -2.5670 3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -3.0470 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -4.2210 5.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -1.9310 5.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -0.6730 5.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6310 -0.1590 5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 0.1830 5.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 1.4780 5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 2.2460 6.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 1.6880 6.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 0.4410 5.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -0.2780 5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -2.0150 7.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -2.2280 7.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -2.4620 9.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -2.4690 11.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -3.9830 9.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -3.3280 2.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -0.1960 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -1.5380 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -1.8750 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -2.7950 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.3420 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -1.1370 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 1.8980 6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 3.2530 6.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 2.2440 6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -1.2740 4.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -1.1170 7.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -2.8700 7.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -3.0830 7.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -1.3540 7.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -1.5840 9.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -3.3450 9.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -3.2290 11.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -1.4630 11.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -2.5680 11.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -4.0200 8.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -4.7850 9.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -4.0460 10.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 1.4040 3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -2.6590 9.8910 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0310 -1.9240 9.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 28 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 52 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 52 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END