cell  15.511  8.61  14.035  90. 96.81  90
Cl1  17  1.45329  0.22357  0.64825
Cl4  17  0.97838  0.11226  0.80689
N1    7   1.21102 0.51645  0.92057
N19   7   1.44573  0.23161  0.86165
C2  6  1.14516 0.41487 0.94456
C3  6  1.09738 0.32107 0.87603
C4  6  1.03145 0.23105 0.89579
C5  6  1.00981 0.22086 0.98786
C6  6  1.05534 0.30452  1.05519
C7  6  1.12376 0.40183  1.0398
C8  6  1.17051 0.48441  1.12873
C9  6  1.25522 0.5741  1.11378
C10  6  1.23551 0.70618  1.04614
C11  6  1.23992 0.86201  1.07384
C12  6  1.21702 0.98149  1.0068
C13  6  1.19279 0.94343 0.9119
C14  6  1.18989 0.78569 0.88355
C15  6  1.21278 0.6724 0.94868
C16  6  1.24442 0.48571 0.82678
C17  6  1.29821 0.34289 0.82260
C18  6  1.38578 0.36117 0.88346
C20  6  1.41434 0.07849 0.88974
C21  6  1.53532 0.26622 0.90998
H3  1  1.1135 0.3202 0.8107
H5  1 0.9628 0.15215  1.00245
H6  1  1.03912 0.29835  1.11994
H11  1  1.25879 0.89117  1.14067
H12  1  1.21792  1.09066  1.02877
H13  1  1.17773  1.02679 0.86541
H14  1  1.17064 0.75775 0.8152
H19  1  1.44615 0.22328 0.79351
H81  1  1.18169 0.40658  1.17958
H82  1  1.12972 0.55718  1.15203
H91  1  1.28355 0.60909  1.17643
H92  1  1.29551 0.50104  1.09052
H161  1  1.27874 0.57277 0.81096
H162  1  1.19601 0.48037 0.77624
H171  1  1.30638 0.31782 0.75745
H172  1  1.26735 0.25646 0.84702
H181  1  1.37957 0.36433 0.95029
H182  1  1.41149 0.46162 0.86829
H201  1  1.35650 0.05669 0.85743
H202  1  1.45114  -0.0049 0.87226
H203  1  1.41119 0.07169 0.95696
H211  1  1.55502 0.3666 0.8903
H212  1  1.53684 0.26726 0.97795
H213  1  1.57678 0.19067 0.89324
rgnr  14