PUBCHEM-ZINC06294411 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 4.5200 1.2920 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -0.2240 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -0.6900 2.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -2.0440 2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -2.8520 3.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -2.4000 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -4.6960 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -4.1710 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -4.2960 4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -3.7920 5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -3.1610 6.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -3.0360 6.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -3.5370 5.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -4.5710 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -4.0320 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -3.1130 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -2.9140 -2.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -3.7250 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -4.4340 -0.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -5.1300 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -3.8500 -3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -2.9150 -4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -2.9880 -5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -4.0020 -5.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -4.9440 -4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -4.8700 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 1.6500 4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 1.6950 3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 1.6910 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 -0.5680 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -0.6100 4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -2.0130 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -1.9340 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -4.7490 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -5.7190 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -4.7940 3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -3.8940 5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -2.7730 7.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -2.5490 7.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -3.4310 5.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -5.6370 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -4.4800 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -2.5730 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -2.1160 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -2.2540 -5.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -4.0610 -5.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -5.7400 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -5.6320 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -3.9040 2.2960 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4040 -3.9550 2.0610 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 49 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 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 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END