IBS-ZINC05164884 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.3410 1.4870 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 0.0320 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7140 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -2.0770 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -3.2850 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -4.4750 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -4.4770 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -3.2950 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -2.1140 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -0.8290 -1.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.5620 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -0.2330 2.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5800 -1.0160 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 0.0850 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 1.2330 4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 1.7800 6.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 0.0570 6.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -0.4430 5.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 1.1450 8.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 0.0220 9.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.1970 10.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -1.2630 11.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -2.1180 11.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -1.9050 10.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -0.8410 9.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 0.9350 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.7510 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 1.7780 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 2.0750 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -3.3020 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -5.4060 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -5.4110 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -3.3000 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 0.8580 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.7930 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 0.5030 4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 2.0680 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 2.5830 6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 2.1440 6.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.7840 7.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.8230 6.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.8390 5.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -1.2790 5.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 1.6950 8.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 1.8560 8.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 0.4560 10.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -1.4270 11.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -2.9470 12.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -2.5680 10.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -0.6920 9.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 1.3450 3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.6210 4.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 0.6730 7.1680 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9560 -0.0630 7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 52 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 53 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END