IBS-ZINC05052011 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.4620 2.0310 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 1.1360 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 3.4690 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 3.5690 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 4.9430 2.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 5.8840 1.9210 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7070 5.7340 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 7.2860 2.3390 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4250 6.9640 3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 5.5060 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 4.9860 4.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 7.7570 4.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 7.8660 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 7.1610 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 9.3090 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 10.2550 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 11.6030 1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 12.0060 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 11.0630 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 9.7160 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 11.3210 -2.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 12.6770 -2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 5.6700 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 6.0180 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5840 5.8760 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 5.3880 3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 5.0430 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 5.1860 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5710 5.2130 3.5080 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 0.9960 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 2.4450 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 2.6320 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 1.5550 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 0.1500 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 1.0560 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 4.0770 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 3.8230 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 3.2100 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 2.9650 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 7.9480 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 9.9820 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 12.3480 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 13.0640 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 8.9850 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 12.7120 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 13.0680 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 13.2990 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 6.4090 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 6.1530 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 4.6670 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 4.9130 4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 2.0470 0.5360 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2750 1.6590 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END