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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\abyssininIII.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\abyssininIII_water_energy.inp" . 2 0 Me
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"C:\Users\Melech-E\Desktop\Checked Files\abyssininIII_water_energy.inp" . 2 0 Me
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"C:\Users\Melech-E\Desktop\Checked Files\abyssininIII_water_energy.inp" . 2 0 Me
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E

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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_updated.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_updated_2.inp" . 2 0 Mel
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_updated_2.inp" . 2 0 Mel
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_restart.inp" . 2 0 Melec

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"C:\Users\Melech-E\Desktop\Checked Files\abyssininIII_water_energy.inp" . 2 0 Me
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"C:\users\Melech-E\desktop\Checked Files\Grignard_model_IRC" . 2 0 Melech-E
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"C:\users\Melech-E\desktop\Checked Files\Grignard_model_IRC.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC.INP" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC.INP" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC.INP" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_go.inp" . 2 0 Melech
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC.INP" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC.INP" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_4.inp" . 2 0 MelechE
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_2.inp" . 2 0 MelechE
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_4_update.inp" . 2 0
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_2_HESS.inp" . 2 0 Me
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_4_update.inp" . 2 0
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_2_HESS.inp" . 2 0 Me
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_4_update_2.inp" . 2
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_4_update_2_hess.inp"
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_5.inp" . 2 0 MelechE
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_5_update.inp" . 2 0
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_go.inp" . 2 0 Melech
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_go.inp" . 2 0 Melech
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_go.inp" . 2 0 Melech
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"C:\Users\Melech-E\Desktop\Checked Files\abyssinoneV4'methylEther_update_hess.in
p" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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Sun 02/19/2012 1:23:53.24


"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_5.inp" . 2 0 MelechE
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_4_update_2_hess.inp"
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_5_update.inp" . 2 0
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"C:\Users\Melech-E\Desktop\Checked Files\Grignard_model_IRC_go.inp" . 2 0 Melech
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C:\Users\Melech-E\Desktop\4'OmethylsigmoidinBhydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\sigmoidinEhydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\obovatinmethyletherhydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\sigmoidinBhydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\sigmoidinChydrated.inp . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Caroline's Files\4'OmethylsigmoidinBhydrated.inp" . 2

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"C:\Users\Melech-E\Desktop\Caroline's Files\4'-O-methylsigmoidinBhydrated.inp" .
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"C:\Users\Melech-E\Desktop\Caroline's Files\4'-O-methylsigmoidinBhydrated.inp" .
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"C:\Users\Melech-E\Desktop\Caroline's Files\4'-O-methylsigmoidinBhydrated.inp" .
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"C:\Users\Melech-E\Desktop\Caroline's Files\4'-O-methylsigmoidinBhydrated.inp" .
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"C:\Users\Melech-E\Desktop\Caroline's Files\obovatinhydrated.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Caroline's Files\Obovatin.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Caroline's Files\obovatinmethyletherhydrated.inp" . 2
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"C:\Users\Melech-E\Desktop\Caroline's Files\obovatin_methyl_ether.inp" . 2 0 Mel
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"C:\Users\Melech-E\Desktop\Caroline's Files\sigmoidinBhydrated.inp" . 2 0 Melech
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"C:\Users\Melech-E\Desktop\Caroline's Files\sigmoidinBhydrated.inp" . 2 0 Melech
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"C:\Users\Melech-E\Desktop\Caroline's Files\sigmoidin_B.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Caroline's Files\sigmoidinChydrated.inp" . 2 0 Melech
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"C:\Users\Melech-E\Desktop\Caroline's Files\sigmoidin_C.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Caroline's Files\sigmoidinEhydrated.inp" . 2 0 Melech
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"C:\Users\Melech-E\Desktop\Caroline's Files\Sigmoidin_E.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Caroline's Files\Checked_Files\sigmoidin_B.inp" . 2 0
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"C:\Users\Melech-E\Desktop\Checked Files\AbyssinoneIV_water_update_4-water-energ
y.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\AbyssinoneIV_water_update_4-water-energ
y.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\AbyssinoneIV_water_update_4-water-energ
y.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\AbyssinoneIV_water_update_4-water-energ
y.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\Sigmoidin_E-hess.inp" . 2 0 Melech-E
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C:\Users\Stefano\Desktop\methamphetamine5.inp . 2 0 Stefano
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"C:\Users\Melech-E\Desktop\Checked Files\Sigmoidin_E-hess.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\abyssininIII_water_energy.inp" . 2 0 Me
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\abyssininIII_water_energy.inp" . 2 0 Me
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"C:\Users\Melech-E\Desktop\Checked Files\ethane.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\ethane_unique.inp" . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Sigmoidin_E_water.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\sigmoidin_C_water.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Obovatin_water.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Obavatin_methyl_ether_water.inp . 2 0 Melech-E

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C:\Users\Melech-E\Desktop\4'-O-methylsigmoidin_B_water.inp . 2 0 Melech-E
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C:\Users\Stefano\Desktop\Input\methamphetamine5.inp . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\methamphetamine5.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\methamphetamine5.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\methamphetamine5.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\methamphetamine5.inp" . 2 0 Melech-E
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"C:\Users\Melech-E\Desktop\Checked Files\methamphetamine5.inp" . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\sigmoidin_C_water_update-hess.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\sigmoidin_C_water_update-hess.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Sigmoidin_B_water.inp . 2 0 Melech-E
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C:\Users\Stefano\Desktop\Input\taxol1.inp . 2 0 Melech-E
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C:\Users\Stefano\Desktop\Input\taxol2.inp . 2 1 Stefano

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C:\Users\Stefano\Desktop\Input\taxol2.inp . 2 1 Stefano
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C:\Users\Stefano\Desktop\Input\taxol2_updated.inp . 2 1 Stefano
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C:\Users\Stefano\Desktop\Input\taxol2_updated.inp . 2 1 Melech-E
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C:\Users\Stefano\Desktop\Input\taxol2_updated.inp . 2 1 Stefano
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C:\Users\Stefano\Desktop\Input\taxol2_updated.inp . 2 1 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C_N
_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C_N
_H_O.lib 2 0 Melech-E
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Sun 04/22/2012 17:36:38.14


C:\Users\Melech-E\Desktop\Input\NMR_Correlation\riboflavin_95_dihedral_opt.inp C
:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C_N_H_O.lib
2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\Molybdenum_dimer_hydrated_92_dih
edral_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_
Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\Molybdenum_dimer_hydrated_92_dih
edral_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_
Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\Molybdenum_dimer_hydrated_92_dih
edral_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_
Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\Molybdenum_dimer_hydrated_92_dih
edral_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_
Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\Molybdenum_dimer_hydrated_92_dih
edral_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_
Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\stuff.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\stuff.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_amide.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_
Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C_
N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_amide.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_
Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_cis_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_M
o_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_cis_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_M
o_C_N_H_O.lib 2 0 Melech-E

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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_cis_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_M
o_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_amide_uff.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2
012_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_amide_uff.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2
012_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_amide_uff.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2
012_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_amide_uff.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2
012_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E

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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E

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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_trans_opt.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012
_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_amide_uff.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2
012_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_amide.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_
Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_surf.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C
_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_surf.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C
_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_hydrated_DLC_eq
_surf.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C
_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_benzene.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-201
2_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_benzene.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-201
2_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\molybdenum_dimer_riboflavin_comp
lex_benzene.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-201
2_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\riboflavin_pm3_ab-initio_2_5_SHI
FT.INP C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C_N_
H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\riboflavin_pm3_ab-initio_2_5_SHI
FT.INP C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C_N_
H_O.lib 2 0 Melech-E

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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\unhydrated_molyb-ribo-11_fixed_p
roton_moved-energy.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4
-15-2012_Mo_C_N_H_O.lib 2 1 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\unhydrated_molyb-ribo-11_fixed_p
roton_moved-energy.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4
-15-2012_Mo_C_N_H_O.lib 2 1 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\unhydrated_molyb-ribo-11_fixed_p
roton_moved-energy.inp C:\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4
-15-2012_Mo_C_N_H_O.lib 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\unhydrated_molyb-2-energy.inp C:
\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C_N_H_O.lib 2
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C:\Users\Melech-E\Desktop\Input\NMR_Correlation\unhydrated_molyb-2-energy.inp C:
\Users\Melech-E\Desktop\Input\NMR_Correlation\LANL2DZ_4-15-2012_Mo_C_N_H_O.lib 2
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C:\Users\Melech-E\Desktop\Hydration\obovatin_hydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\AbyssinoneV4'methylEther.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\AbyssinoneV_hydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\Abyssininone_IV_hydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\AbyssininIII_hydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\SigmoidinE_hydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\5-Deoxyabysinin_II.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\Finished\SigmoidinB_hydrated.inp . 2 0 Melec
h-E
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h-E
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C:\Users\Melech-E\Desktop\Hydration\5-Deoxyabysinin_II.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\SigmoidinB-4'methylether.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\5-Deoxyabysinin_II_update.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\Durmillone_hydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\Durmillone_hydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Hydration\Durmillone_hydrated.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\ESPS_S_4.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\PolyEthyleneGlycol_10units.inp . 2 0 Melech-E
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C:\Users\Melech-E\Desktop\Input\PolyEthyleneGlycol_10units.inp . 2 0 Melech-E
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Sat 04/28/2012 3:53:08.16


C:\Users\Melech-E\Desktop\Input\PolyEthyleneGlycol_10units.inp . 2 0 Melech-E
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C:\Users\Stefano\Desktop\Input\PEG_10units6.inp . 2 1 Melech-E
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C:\Users\Melech-E\Desktop\MOCO-new.inp C:\Users\Melech-E\Desktop\LANL2DZ_with_WP
S.lib 2 1 Melech-E
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C:\Users\Melech-E\Desktop\Input\lithium_molybdate.inp C:\Users\Melech-E\Desktop\
Input\LANL2DZ_Lithium_Molybdate.lib 2 1 Melech-E
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C:\Users\Melech-E\Desktop\Input\lithium_molybdate.inp C:\Users\Melech-E\Desktop\
Input\LANL2DZ_Lithium_Molybdate.lib 2 1 Melech-E
------------------------------------------Fri 05/04/2012 1:09:30.81
C:\Users\Melech-E\Desktop\Input\lithium_molybdate.inp C:\Users\Melech-E\Desktop\
Input\LANL2DZ_Lithium_Molybdate.lib 2 1 Melech-E

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