IBS-ZINC05163998 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 0.8260 -1.4820 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -1.8950 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -1.8030 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -2.3590 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -2.5440 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 -3.1380 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -3.5460 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -3.3750 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -2.7790 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -2.4930 -0.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.6970 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -1.2250 2.8250 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0700 -1.6570 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 0.3110 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 0.8400 5.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 1.1710 6.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 2.5050 6.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 2.4900 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 2.1460 4.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 2.7660 8.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 4.1380 8.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 5.2690 8.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 6.5390 8.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 6.6900 8.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 5.5720 8.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 4.3010 8.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -1.5250 3.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -2.2150 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -1.4010 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -0.5070 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -2.2370 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -3.2840 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -4.0060 -2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -3.6970 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.7460 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 0.6600 2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -0.1540 4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 1.5800 4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 1.2130 7.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 0.3600 6.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 3.3040 6.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 3.4690 5.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 1.7640 6.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 2.9000 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 2.0410 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 2.6610 8.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 1.9980 8.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 5.1690 8.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 7.4110 8.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 7.6790 8.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 5.6890 8.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 3.4400 8.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.4730 3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 0.8320 4.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3730 0.0950 4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END