cell    9.033  14.425   8.3    103.55   101.46    71.07
O1   8   0.3236  1.0007  0.3242
C2   6   0.4236  0.9062  0.2944
C3   6   0.3562  0.8292  0.2450
c4   6   0.1950  0.8407  0.2294
n5   7  -0.0664  0.9691  0.2585
c5a  6  -0.1657  1.0606  0.2132
c6   6  -0.3379  1.0815  0.2428
c7   6  -0.4302  1.1873  0.2392
c8   6  -0.3594  1.2641  0.3647
c9   6  -0.1901  1.2413  0.3416
n10  7  -0.0940  1.1414  0.3161
c11  6   0.0585  1.1209  0.3717
c12  6   0.1577  1.0213  0.3054
c13  6   0.1000  0.9374  0.2529
c14  6  -0.4519  1.3737  0.3650
c1   6  -0.3227 -1.0043 -0.2944
c2   6  -0.4104 -0.9061 -0.2606
c3   6  -0.3513 -0.8238 -0.2261
c4   6  -0.1936 -0.8463 -0.2350
n5   7   0.0627 -0.9587 -0.2840
c6   6   0.2931 -1.0810 -0.1625
c7   6   0.4051 -1.1816 -0.1894
c8   6   0.3179 -1.2654 -0.2534
c9   6   0.1949 -1.2398 -0.4050
n10  7   0.0852 -1.1353 -0.3600
c11  6  -0.0661 -1.1181 -0.3588
c12  6  -0.1641 -1.0190 -0.3150
c13  6  -0.0979 -0.9436 -0.2810
c14  6   0.4276 -1.3663 -0.2967
c101 6   0.1739  0.2941  0.8116
c102 6   0.1634  0.3236  0.9852
c103 6   0.1836  0.4093  1.0899
c104 6   0.2299  0.4714  1.0226
c105 6   0.2451  0.4518  0.8498
c106 6   0.2218  0.3632  0.7499
o107 8   0.1480  0.2157  0.7179
n108 7   0.1233  0.2576  1.0622
o109 8   0.1838  0.1693  1.0365
o110 8   0.0234  0.2997  1.1600
n111 7   0.2643  0.5596  1.1221
o112 8   0.2317  0.5807  1.2660
o113 8   0.3293  0.6050  1.0613
n114 7   0.2287  0.3537  0.5692
o115 8   0.1858  0.4321  0.5079
o116 8   0.2798  0.2670  0.4962
c101 6  -0.1827 -0.2938 -0.8074
c102 6  -0.1577 -0.3266 -0.9820
c103 6  -0.1730 -0.4162 -1.0798
c104 6  -0.2178 -0.4791 -1.0032
c105 6  -0.2412 -0.4536 -0.8383
c106 6  -0.2175 -0.3643 -0.7487
o107 8  -0.1453 -0.2190 -0.7276
n108 7  -0.1073 -0.2670 -1.0728
o109 8  -0.1722 -0.1742 -1.0389
o110 8  -0.0107 -0.3044 -1.1669
n111 7  -0.2536 -0.5647 -1.1084
o112 8  -0.2164 -0.5924 -1.2485
o113 8  -0.3160 -0.6067 -1.0412
n114 7  -0.2440 -0.3459 -0.5790
o115 8  -0.2218 -0.4152 -0.5081
o116 8  -0.2856 -0.2607 -0.4980
rgnr  1