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../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La45-/step2_1_La45-.log	Energy: -739354.1847125
C          1.51495        0.58978        6.17787
H          1.77937       -0.08203        5.35938
H          2.23264        1.41079        6.21893
C          0.10527        1.13434        5.97491
H         -0.18541        1.76491        6.81743
H         -0.61281        0.31526        5.90635
C          0.58051        3.15413        4.69029
C          1.01286        5.09887        3.27065
H          1.41440        5.24570        2.26541
H          1.78225        5.40742        3.98170
C         -0.24656        5.93759        3.45790
H         -0.65008        5.74845        4.45826
H         -0.99903        5.60580        2.73435
S          0.08000        7.73478        3.24004
S          1.57088       -0.33744        7.75665
N         -0.00283        1.91758        4.75342
H         -0.01992        1.38213        3.89397
N          0.77687        3.66701        3.44240
H          0.27439        3.21484        2.68840
O          0.91300        3.77286        5.72111
H          2.85772       -0.70244        7.68776