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../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La28-/step2_1_La28-.log	Energy: -560613.4442564
S         -1.98083        2.55968        0.35152
C          2.44110        1.28359       -1.91695
H          1.76782        1.84006       -2.56883
H          3.18769        1.96208       -1.49888
C          1.72507        0.60747       -0.78257
O          2.34474       -0.05550        0.07079
N          0.38761        0.73450       -0.73474
H         -0.06722        1.37736       -1.37182
C         -0.40025        0.21292        0.36483
H          0.04356        0.52940        1.31550
C         -1.84252        0.73008        0.27886
H         -2.28783        0.35863       -0.65073
H         -2.39396        0.28095        1.10765
H          2.96551        0.52245       -2.49926
C         -0.43432       -1.31332        0.40464
O         -0.74046       -1.88952        1.46752
N         -0.19312       -1.98058       -0.72336
H          0.10928       -1.45873       -1.53450
C         -0.21604       -3.43235       -0.76795
H          0.01785       -3.75195       -1.78109
H          0.52210       -3.85236       -0.08001
H         -1.20342       -3.81007       -0.49331