IBS-ZINC02196938 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 1.3520 -1.4420 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -1.6830 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -2.1370 1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -2.3960 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -2.2470 -0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -2.8710 0.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1340 -2.5470 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -2.2970 -0.9820 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5260 -1.2210 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -2.9320 -1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -2.2820 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 -2.8140 -2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 -4.0040 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 -4.6500 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -4.1150 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -4.8650 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -4.4010 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -5.0030 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -4.8440 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -2.5570 -2.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -1.7290 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -0.2990 -3.1290 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -2.0280 -4.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -1.2000 -5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -0.1840 -5.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -1.5270 -6.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -0.6710 -7.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.9830 -9.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -2.1400 -9.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -2.9920 -8.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -2.6900 -6.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -1.1010 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.6830 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.3700 3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -0.7540 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -2.4420 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -1.3520 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7160 -2.3020 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2950 -4.4270 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 -5.5800 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -4.6890 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -5.9320 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -4.7640 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -6.0850 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -4.5890 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -4.3950 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -5.9300 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -4.5230 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -3.3250 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -2.8380 -4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 0.2320 -7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -0.3220 -9.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -2.3790 -10.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -3.8930 -8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -3.3530 -6.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END