IBS-ZINC05451799 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 2.0860 -3.9380 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -4.3300 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -3.4320 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -2.2860 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -2.1480 1.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -1.9900 2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -3.1250 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -2.1760 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -2.3580 0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -1.9790 2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -0.6640 3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -0.4560 4.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -1.4990 5.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 -2.7650 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -3.0770 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -4.4340 3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -5.4590 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -5.1440 5.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -3.8060 5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 0.8870 4.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 1.0740 5.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 2.3360 6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 3.4530 5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 3.2920 5.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 2.0250 4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 4.6250 6.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 5.7960 6.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -4.6810 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -2.9650 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -3.8930 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -4.4570 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -5.2560 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -4.4010 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -3.4490 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -1.3350 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -2.4530 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -1.0250 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -1.9560 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -2.9190 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -4.0920 3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 0.1610 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -4.7040 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -6.4980 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 -5.9340 5.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -3.5700 6.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9490 0.2270 5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5500 2.4430 6.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 4.1300 4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 1.9480 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0520 6.6350 6.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 5.7070 6.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 6.0160 5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -3.2400 1.5660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3820 -2.3470 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 53 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 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 26 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 27 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