PUBCHEM-ZINC03688168 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 1.0310 1.3140 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.5540 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.0980 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -1.3940 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -1.9930 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -1.3020 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 0.0000 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5980 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -1.9300 -4.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -3.0420 -5.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.1930 -6.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -4.1020 -7.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -3.9620 -8.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 -2.9380 -8.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 -2.0250 -7.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -2.1770 -6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -1.4320 -5.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -0.6250 -4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -4.8780 -9.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -5.6240 -10.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -3.9030 -5.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -3.3430 -6.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -4.2260 -5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.6560 -6.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 0.6480 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 2.1080 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 1.7760 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -0.2080 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 1.2370 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.9440 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -2.9990 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 0.5530 -4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 1.6120 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -4.9010 -7.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 -2.8330 -8.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -1.2270 -7.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -4.9190 -5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -3.9970 -4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -2.3270 -5.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -3.2600 -7.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -5.2400 -6.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -4.3040 -4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -2.6650 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -3.6130 -7.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -4.5400 -6.4320 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5250 -4.1830 -6.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -4.6110 -5.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -5.4920 -6.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 3 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 45 1 M END