28
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La5024/step2_1_La5024.log	Energy: -232733.9100118
C         -5.40800        1.12787       -2.64731
C         -5.53438        2.52884       -2.05286
C         -4.37090        3.45610       -2.40003
N         -3.13932        3.02110       -1.71296
C         -1.90431        3.32804       -2.46439
C         -1.67665        2.33332       -3.60997
C         -0.53715        2.71448       -4.55113
C         -4.69021        4.89803       -2.02205
C         -0.71833        3.36169       -1.50854
H         -6.28837        0.52341       -2.41128
H         -4.53457        0.58848       -2.26588
H         -5.31782        1.17843       -3.73782
H         -5.62761        2.47242       -0.95984
H         -6.45649        2.99198       -2.42170
H         -4.23292        3.41265       -3.49327
H         -3.16812        2.00699       -1.61443
H         -2.03202        4.33033       -2.89432
H         -2.60387        2.24170       -4.18846
H         -1.48292        1.34480       -3.16913
H         -0.68332        3.72510       -4.94825
H         -0.48479        2.02689       -5.40031
H          0.43295        2.68979       -4.04689
H         -5.53461        5.27302       -2.60883
H         -3.83468        5.55673       -2.20271
H         -4.95151        4.96273       -0.95959
H         -0.57606        2.37691       -1.04718
H         -0.88401        4.09185       -0.71103
H          0.20631        3.63011       -2.02635