IBS-ZINC01175001 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 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 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1410 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -0.4790 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -1.8560 3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.6270 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.0010 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -4.1050 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -4.7760 1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -4.7360 3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -6.0860 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -6.6970 4.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -8.0920 4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -8.7150 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -10.0930 5.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -10.8540 4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -10.2370 3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -8.8590 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -12.6120 4.6820 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -13.0790 3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -12.9300 5.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -13.1250 5.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -12.9230 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -13.3600 5.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -13.1780 5.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -12.5690 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -12.3610 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -11.7390 2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -11.3050 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -11.4900 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -12.1270 3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -12.3170 3.8070 N 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 1.1630 1.2190 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1160 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -2.3370 4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -2.5920 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -4.1410 4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -6.6810 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -6.1630 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 -8.1220 6.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -10.5780 6.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -10.8330 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -8.3770 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -13.5660 6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -13.8520 6.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -12.6930 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -11.5810 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -10.8140 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -11.1490 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 33 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 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 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 M END