IBS-ZINC04981687 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.1510 1.7890 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 0.9340 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 3.3100 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 3.4500 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 4.9210 2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 5.1170 3.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 5.4080 5.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5410 6.2220 5.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 5.8520 5.8390 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6180 5.4380 4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 5.0690 3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 4.7920 2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 5.4200 4.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 7.3490 6.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 8.1130 5.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 7.9050 7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 7.2820 7.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 7.8420 9.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 9.0190 9.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 9.6520 8.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 9.0940 7.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 10.8030 9.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 11.4020 10.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 4.2210 5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 4.4110 6.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 3.3470 7.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 2.0800 7.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 1.8880 6.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 2.9400 5.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 0.6690 6.5000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 0.7470 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 2.1380 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 2.4130 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 1.2820 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.0640 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 0.9140 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 3.9220 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 3.6030 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 2.9990 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 2.9070 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 5.3390 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 5.4960 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 5.3220 6.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 6.3790 7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 7.3620 9.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 9.4180 10.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 9.5930 7.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 11.7150 10.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 10.7310 11.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 12.2980 10.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 5.3930 6.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 3.5130 8.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 1.2470 7.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 2.7370 5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 1.8770 0.6250 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5770 1.5540 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END