IBS-ZINC02160020 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 0.1020 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5380 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -1.9100 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -2.6750 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.7540 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -3.1130 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -4.0990 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -5.0270 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 -4.2250 0.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 -2.8910 -0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3400 -2.8480 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -2.7020 1.3980 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -4.5000 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 -5.1500 0.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9200 -5.3410 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -6.4480 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -6.5920 1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 -7.4480 1.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 -8.7100 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 -9.6680 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -10.9660 2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 -11.1150 4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -12.3440 4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -13.5130 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -13.0390 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -12.0060 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 1.1800 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 0.0450 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -3.6890 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -2.2100 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -3.7140 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 -4.7620 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 -4.7930 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 -7.3330 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -9.1570 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -8.5180 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6280 -9.2200 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6730 -9.8600 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -10.3050 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -12.1460 5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 -12.6030 5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -14.3400 4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 -13.8360 3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -12.5840 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -13.8860 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -12.5050 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -11.5280 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END