PUBCHEM-ZINC00399350 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -0.0920 1.4990 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 0.0720 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.3230 1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -0.7120 -0.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -2.1370 -0.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4040 -2.6070 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -2.3440 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -2.0950 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -0.9600 2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -0.7530 3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -1.6710 4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -2.8010 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -3.0100 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -1.3530 6.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -2.2530 7.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.8470 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -2.0590 -2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1510 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 1.5900 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 1.8160 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -0.3500 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -1.7020 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -3.3710 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -0.2300 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 0.1330 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -3.5400 4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -3.8970 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -1.8580 8.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -3.2420 7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.3170 6.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -4.1060 -1.5100 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 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 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 24 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 14 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 M CHG 1 31 -1 M END