IBS-ZINC02198777 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 -0.1700 1.0490 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -0.3280 0.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -0.6290 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 0.3010 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.1170 3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -1.4700 4.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -2.4080 3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -1.9960 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -2.8800 0.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -4.2490 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -4.9160 1.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -4.8600 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -6.2920 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -6.5610 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -7.8630 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -8.9140 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -8.6640 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -7.3630 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -4.6980 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -4.6090 -2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -4.4620 -2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -4.4100 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -4.5110 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -4.6580 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -1.9670 5.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -3.1010 5.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.0900 6.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -1.2540 7.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -2.4080 8.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -2.5080 9.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -1.4560 10.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -0.2980 10.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -0.1780 8.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 1.0930 8.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 1.1170 6.9820 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8340 1.4760 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 1.1190 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 1.6150 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 1.3610 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 0.6310 4.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -3.4550 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.4120 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -4.2540 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -5.7590 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -8.0550 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -9.9250 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -9.4800 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -7.1910 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -4.6560 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -4.3920 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 -4.2970 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5340 -4.4780 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -4.7410 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.1630 6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -3.2480 7.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -3.4110 10.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -1.5340 11.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 0.5210 10.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 2.0240 9.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 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 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 59 2 0 0 0 0 M CHG 1 35 -1 M END