IBS-ZINC05146447 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.6390 -0.2360 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -0.8970 1.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4000 -0.1520 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -2.0100 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -2.7050 -0.4230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7090 -3.5260 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -3.2530 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -2.1500 -0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.4960 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -2.5910 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -2.0830 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -2.5550 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -3.4710 -0.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -3.9320 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -3.5100 0.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -4.8840 1.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -5.3690 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3670 -6.4080 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8100 -6.9140 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0010 -7.8850 3.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3230 -8.4240 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -2.0770 -2.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -1.0640 -2.0820 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6180 -1.4100 -3.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 0.1200 -1.8140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1150 -1.7000 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 0.1900 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 0.5550 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -0.9820 3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -1.5800 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.7340 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -3.7360 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -3.9790 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -2.2310 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -0.7040 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -5.2300 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 -4.5330 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -5.8250 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 -7.2440 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 -5.9520 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4930 -6.0790 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0110 -7.3700 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5550 -8.9120 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3860 -9.1530 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0370 -7.6200 3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -1.4090 -2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 -2.4100 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -1.3080 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -2.1960 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -0.8800 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END