IBS-ZINC02127024 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.1320 1.5860 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 0.0580 0.1780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3460 -0.2780 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -0.5660 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.1810 2.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -0.3320 1.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 0.1540 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -0.7200 2.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3430 -1.7000 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -0.7620 2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 -1.7440 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -3.1120 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 -3.6510 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -4.6340 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -2.6610 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.4490 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 -0.2620 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 -0.3290 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -1.5560 -2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -2.7460 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 0.2970 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 1.5160 3.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.4490 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 0.0050 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -0.3620 0.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -1.3190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -1.7390 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 -2.6980 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -3.2450 -1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -2.8330 -1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -1.8730 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -1.4160 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -1.8880 -1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 1.9270 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 2.0230 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.9970 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 0.2340 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 -1.0260 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 -3.7430 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 0.7010 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 0.5850 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 -1.5890 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 -3.7000 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 0.7360 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 -1.3160 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -3.0170 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -3.9910 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -3.2610 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -0.2110 4.8990 O 0 5 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 2 4 1 0 0 0 0 2 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 M CHG 1 49 -1 M END