PUBCHEM-ZINC01189713 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 1.3290 -2.2540 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -1.0070 0.7520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5950 -0.4420 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -0.1470 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.7120 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 1.5010 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 1.4310 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.5730 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.2130 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -1.4080 0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -2.0560 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -2.3440 -1.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -2.4010 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -3.0580 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -3.4630 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 -3.7790 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 -4.1580 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5390 -4.2260 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 -3.9150 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -3.5400 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -3.9910 1.9000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.3320 -4.3270 2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4390 -3.7170 2.8250 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3980 -1.7600 1.1620 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -1.1260 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -0.3070 3.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -1.9560 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -2.8760 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.8190 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 0.7670 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 2.1720 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 2.0470 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 0.5180 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -0.8810 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -3.2830 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -3.7260 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7570 -4.4020 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -4.5240 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -3.3020 1.0760 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 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END