PUBCHEM-ZINC05431222 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -2.5450 -2.2250 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.9370 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -2.4800 -2.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7140 -2.5300 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -3.2900 -2.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -2.7510 -1.1830 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9910 -2.7410 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -1.3150 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.7850 -1.7960 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -3.6040 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -3.1270 1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -4.9250 -0.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -5.8390 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -5.5910 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2050 -5.7990 3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 -6.5100 4.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -7.9280 4.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -8.4280 3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 -7.8190 2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -4.4380 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -5.1520 -2.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -4.8360 -3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -5.8340 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -6.2130 -4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -5.6030 -5.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -4.6180 -5.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -4.2330 -5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -1.1560 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -2.3430 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -2.6490 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -2.8140 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -4.0130 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -1.2380 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.6480 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -5.2540 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -5.7220 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -6.8520 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 -5.9330 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -4.5250 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -4.7180 3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9920 -6.0220 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -6.1970 4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -6.2590 5.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -9.5150 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 -8.2260 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -8.0590 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -8.1550 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -6.3160 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -6.9850 -4.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -5.9030 -6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -4.1530 -6.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -3.4720 -5.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 -6.3020 2.6270 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1470 -6.0470 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END