IBS-ZINC04028968 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.1130 1.0370 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.1770 2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 1.5910 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 3.0670 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 3.7020 4.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 5.0560 4.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 5.7830 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 5.1450 2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 3.7850 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 3.1400 1.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4310 3.3980 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 3.6590 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 3.4550 0.3280 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1880 3.9200 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 4.0850 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 5.3710 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 5.9520 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 5.2430 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 3.9530 -3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 3.3790 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5900 5.8120 -4.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 5.0240 -5.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 2.0560 0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 5.8530 1.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 6.4550 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 7.0820 3.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 7.2260 5.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 5.8970 5.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -0.0460 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 1.3340 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 1.3440 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 1.6050 2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 0.0900 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 1.0310 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.3710 4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 3.1360 5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 4.7210 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 3.1130 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 5.9220 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 6.9560 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 3.3990 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 2.3770 -2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 5.5940 -5.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 4.7610 -5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 4.1140 -4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 1.5770 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 6.9880 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 7.1560 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 5.6810 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 7.5600 5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 7.9200 5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 1.6820 1.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 52 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 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 50 1 0 0 0 0 27 51 1 0 0 0 0 M END