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test1.xyz
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test1.xyz
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2-9:15-9:6_r-0
N 2.62015 1.50997 -3.02947
C 2.49242 0.81932 -2.12846
C 2.31132 -0.02549 -0.95963
C 3.15438 -1.19238 -1.13200
N 3.85231 -2.08946 -1.25004
C 2.70468 0.74713 0.28350
C 1.63723 1.00877 1.06506
N 1.64072 1.62819 2.28293
C 0.42603 0.44934 0.47961
C -0.84517 0.60013 0.88723
C -1.97692 -0.06867 0.31166
C -3.27946 0.63818 0.52454
N -4.21448 0.42362 -0.43211
O -3.48619 1.35700 1.48008
C -1.94314 -1.32935 -0.19824
C -0.78162 -2.16818 -0.23398
C 0.48238 -1.75725 -0.40145
C 0.80220 -0.33742 -0.75163
H 3.72544 1.03028 0.46063
H 0.76262 1.99787 2.60629
H 2.45129 2.17938 2.51049
H -1.09319 1.27533 1.69557
H -5.09743 0.89997 -0.35196
H -4.01397 -0.08380 -1.27428
H -2.88002 -1.81407 -0.44201
H -0.96462 -3.22494 -0.09081
H 1.30210 -2.45219 -0.29260
H 0.21091 -0.02128 -1.61891