PUBCHEM-ZINC05118768 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -3.9670 11.4040 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 9.9620 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 10.5690 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 9.2990 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 9.5970 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 8.3810 4.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 7.9680 5.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8180 7.8260 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 6.6610 6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 6.3720 5.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 7.4650 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9420 7.5200 4.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 5.3940 6.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 5.9000 6.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 4.8220 7.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 6.2520 6.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 6.3760 8.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 6.7280 7.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 6.8880 6.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 6.5920 5.5600 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 9.0080 6.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 9.4750 6.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 10.4290 7.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 10.9160 8.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 10.4500 8.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 9.4990 7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 10.9720 9.2740 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3450 11.8120 10.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 10.5610 9.2680 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7240 11.1660 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 12.3020 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 11.5750 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 10.8330 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 9.6870 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 9.1300 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 10.9080 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 11.3480 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 8.5210 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 8.9610 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 10.3760 4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 9.9360 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 4.3560 8.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 6.2130 9.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 6.8660 8.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 7.1630 6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 9.0950 5.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 10.7930 7.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 11.6610 9.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 9.1380 7.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 10.2830 0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 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 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END