IBS-ZINC02331072 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.0710 -1.5260 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -1.0760 1.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4280 -0.0120 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -1.9120 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -2.7790 2.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -1.2650 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -0.4550 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 0.4940 -1.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -0.8430 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -0.7890 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 0.6260 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 1.5200 -2.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 1.5810 -3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 0.1840 -3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 2.2650 -3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 2.2120 -2.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 3.0640 -4.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1430 3.9270 -4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 3.1110 -5.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 4.6360 -5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 4.9850 -3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -2.2350 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -2.4280 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -3.6760 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -4.7600 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -4.5940 -3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -3.3460 -2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -0.9650 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -2.5890 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -1.3790 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -2.0740 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -1.4430 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 -1.1490 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 1.0250 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 0.6080 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 2.0770 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 2.2020 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -0.1890 -4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 0.2860 -3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 2.3050 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 3.7410 -6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 2.6350 -4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 5.2010 -5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 5.3260 -6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 3.9070 -6.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 4.5440 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3090 5.7360 -4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 5.4940 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -1.6050 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -3.7980 -3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -5.7330 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -5.4390 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -3.2790 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -1.6250 3.6770 O 0 5 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 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 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 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 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 53 1 0 0 0 0 M CHG 1 54 -1 M END