PUBCHEM-ZINC02859622 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -1.0810 1.0600 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -0.3630 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -0.4250 0.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2840 0.0350 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -1.8630 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.6830 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -4.0490 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -4.5070 0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -4.7500 -1.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -6.0200 -1.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -6.7500 -2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -6.3390 -3.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -8.1060 -2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -8.0580 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -8.0920 -2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -8.0190 -3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 -7.9080 -4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 -7.8720 -5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -7.9470 -4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 -7.8210 -5.6200 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6640 -7.8560 -4.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 -7.7160 -6.8550 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6990 0.3070 1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.1090 3.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 1.5190 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 1.0540 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 1.6910 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -0.7980 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.9550 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.8390 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -2.3740 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.8380 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -2.1550 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -4.4010 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -6.3400 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -8.4780 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -8.8190 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -8.1740 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2460 -8.0470 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -7.7820 -6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -7.9080 -5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 1.0180 1.5430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 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 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 42 -1 M END