CELL    13.349   18.402   13.111   90.0  98.1    90.0
O1     8    0.9172   0.0108   0.1588
O2     8    0.7066   0.1538   0.3404
O3     8    0.9965   0.0947   0.0589
O4     8    0.8602   0.3234   0.1246
N1     7    0.8089  -0.0112   0.2735
N2     7    1.0192   0.2105   0.0065
C1     6    0.8442   0.1733   0.1882
C2     6    0.8210   0.1078   0.2295
C3     6    0.8546   0.0347   0.2155
C4     6    0.7366   0.0250   0.3322
C5     6    0.7511   0.1044   0.3042
C8     6    0.8294  -0.0884   0.2813
C9     6    0.9056   0.1983   0.1193
C10    6    0.9752   0.1622   0.0613
C11    6    0.9860   0.2851   0.0201
C12    6    0.9080   0.2739   0.0943
C13    6    1.0952   0.1917  -0.0572
C14    6    1.0733   0.3316   0.0700
C14`   6    1.0760   0.3809   0.0129
C15    6    0.9388   0.3190  -0.0784
C15`   6    0.9687   0.3873  -0.0632
C16    6    0.6268   0.0008   0.2917
C17    6    0.597    0.003    0.393
C18    6    0.697   -0.012    0.476
C19    6    0.7662   0.0112   0.4491
H1     1    0.8125   0.2168   0.2285
H81    1    0.7903  -0.1134   0.3263
H82    1    0.8154  -0.1124   0.2143
H83    1    0.9002  -0.0988   0.3059
H131   1    1.1146   0.2344  -0.0903
H132   1    1.1502   0.1697  -0.0185
H133   1    1.0649   0.1586  -0.1104
H161   1    0.6229  -0.0463   0.2617
H162   1    0.5912   0.0343   0.2448
H171   1    0.5473  -0.0336   0.3983
H172   1    0.5692   0.0491   0.4046
H181   1    0.7061  -0.0631   0.4846
H182   1    0.6884   0.0093   0.5397
H191   1    0.7847   0.0544   0.4840
H192   1    0.8209  -0.0221   0.4607
rgnr   15