IBS-ZINC05186123 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.4170 1.7170 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 0.2900 0.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9150 0.2820 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -0.3310 1.4630 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0390 -1.3420 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -1.5010 1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -0.9040 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -0.6200 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -1.0820 -1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -1.1490 3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.0610 4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 0.9170 4.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -0.1980 6.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.3140 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.0420 7.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -1.6820 8.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 0.2350 8.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 0.7910 7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 2.1150 7.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 2.8280 8.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.2430 9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 0.9330 9.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 0.4420 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -0.0710 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 0.5970 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 1.7900 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 2.3200 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 1.6550 2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 2.4400 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 1.9820 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 1.8510 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -1.6010 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -2.4780 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -1.6090 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 0.0220 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -1.4780 3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -1.9980 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -2.2850 6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 2.5840 6.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 3.8480 8.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 2.8120 10.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 0.4830 10.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -1.0010 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 0.1870 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 2.3110 3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 3.2550 3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 2.1090 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -0.6040 2.4600 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8940 0.3030 2.7170 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 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 48 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 48 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 38 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 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 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 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END