IBS-ZINC04954912 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 1.2410 1.9380 -4.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 0.6090 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 0.7690 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 0.3150 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -1.4020 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.3090 -3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -3.6750 -3.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -4.2380 -4.3910 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2310 -3.6790 -4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -5.6670 -3.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -5.8750 -2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -4.6360 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -4.5040 -2.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -7.0330 -2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -6.6420 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -7.6440 -4.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -6.4070 -4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -7.2730 -4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -7.0480 -4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 -5.9660 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -5.1040 -3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -5.3210 -3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -4.2030 -5.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -3.7510 -6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -3.7180 -8.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -4.1370 -8.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -4.5890 -7.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -4.6170 -6.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -4.1040 -10.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0260 -3.7060 -10.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -4.4730 -10.4210 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0930 2.5970 -3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 1.7550 -4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 2.4080 -5.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 0.7920 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.0490 -4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 0.6260 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 1.8240 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 0.3560 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 0.9730 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.7080 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -1.4300 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.7500 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -1.9430 -4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -2.3050 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -6.9980 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -8.1170 -5.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 -7.7170 -4.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -5.7940 -3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -4.2620 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -4.6500 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -3.4230 -6.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -3.3660 -8.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -4.9160 -8.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -4.9660 -5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -0.0240 -2.8900 N 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 35 1 0 0 0 0 2 36 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 56 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 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 14 1 0 0 0 0 12 13 2 0 0 0 0 14 46 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 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 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 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END