PUBCHEM-ZINC03870760 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 -0.0720 2.0100 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.1000 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 2.3700 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 2.4570 -2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 2.2820 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 2.0060 -3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 1.9340 -2.6610 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6840 2.4770 -5.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 2.2000 -6.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 3.4820 -6.9730 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 4.1100 -5.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.7530 -2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 4.0140 -1.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5970 2.9820 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 5.4480 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 6.0300 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5690 5.2350 -0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 3.8610 -2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6130 2.7070 -3.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 2.5710 -0.4520 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4720 1.2230 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 1.7660 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 2.9660 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 1.8770 -4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 1.7790 -5.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 3.4980 -5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 3.1590 -3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 1.8360 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6720 2.9640 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 1.9640 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 3.1880 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 5.5200 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 6.1390 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 1.7820 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 2.8290 -7.8790 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9190 4.3310 -7.6700 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7250 3.7820 -1.8900 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1920 3.4580 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 4.6560 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 7.2590 -0.3590 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.1360 4.8640 -3.6600 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 20 -1 M CHG 1 35 -1 M CHG 1 36 -1 M CHG 1 37 1 M CHG 1 40 -1 M CHG 1 41 -1 M END