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Gao, Xiang's avatar
Add xyz files to be used in future tests (#164)  
Gao, Xiang committed
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N         -3.33820       -0.67150        0.32120
C         -3.11420       -0.21590       -0.87140
N         -4.08960       -0.39690       -1.90090
N         -1.89450        0.48200       -1.16480
C         -0.83240        0.68590       -0.18020
C         -0.03210       -0.60840        0.02140
C          1.13450       -0.43130        1.01620
C          2.50590       -0.22950        0.32820
N          2.57960        1.03120       -0.41340
C          3.61370       -0.26970        1.34690
O          4.48300       -1.17920        1.28940
O          3.69830        0.68640        2.35670
H         -4.21940       -1.17880        0.55930
H         -4.98600       -0.89730       -1.70910
H         -3.91620       -0.03120       -2.86320
H         -1.77770        0.90840       -2.11160
H         -0.16130        1.49150       -0.54200
H         -1.27260        1.02460        0.78290
H          0.33650       -0.97870       -0.96010
H         -0.71880       -1.38520        0.42190
H          1.19710       -1.35760        1.63010
H          0.92490        0.40040        1.72420
H          2.66760       -1.07000       -0.38500
H          2.01200        0.94580       -1.28710
H          2.17660        1.80780        0.15970
H          3.02340        1.43710        2.43510