PUBCHEM-ZINC04536183 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 -0.6330 1.5580 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 0.1970 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 0.0320 -2.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -0.8420 -0.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -2.2370 -1.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2360 -2.3240 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -3.0850 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -2.6170 0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -2.6510 -1.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7260 -1.7810 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -3.1720 -2.4890 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0500 -4.0780 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -3.5470 -2.4300 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7030 -2.7090 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -3.9400 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -4.3690 -3.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 -4.8640 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -4.6670 -1.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -4.4990 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -2.2250 -3.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -1.3200 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -3.6720 -0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -3.1660 1.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0300 -2.2050 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -4.1790 2.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8910 -4.2320 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -3.6980 3.6300 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5710 -2.8950 3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -3.1150 3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -2.7830 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -2.9450 1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 -2.1640 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -2.2640 4.0120 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1140 -4.6910 4.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -5.4730 1.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -6.7560 2.1120 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -7.9100 1.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -6.5590 1.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 2.2800 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 1.8520 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 1.5590 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.6700 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -4.1600 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -3.1070 -4.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -4.7810 -4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -2.9520 4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -5.4660 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3000 -1.6040 1.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -6.5780 3.4820 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 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 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 35 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 34 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 48 2 0 0 0 0 34 47 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 2 0 0 0 0 36 49 1 0 0 0 0 M CHG 1 33 -1 M CHG 1 49 -1 M END