229
V: -1953.323595 nn: 1180  CT:    0   0   0   0   0   0   6  16  44  25  22  12  70  33   1   0   0   0
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C	-1.864021	0.332957	-1.050304
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C	-3.281333	-0.616674	-2.899590
C	-2.885957	2.706961	2.230126
C	-2.060356	2.118464	3.229054
C	-3.364814	2.825258	0.826771
