65
     1  C1      -11.719000       7.648000      -5.341000    801    1    3   19   34
     2  C2      -12.578000       6.412000      -5.254000    802    2    4   35    8
     3  C3      -13.545000       6.234000      -6.398000    803    3    5   36   37
     4  C4      -14.514000       5.098000      -6.127000    804    4    6   38   39
     5  C5      -14.195000       4.252000      -4.908000    805    5    7    9   40
     6  C6      -12.719000       3.985000      -4.682000    806    6    8   41   42
     7  C7      -11.799000       5.136000      -5.038000    807    7   43   44    3
     8  C8      -14.893000       4.739000      -3.673000    808    6   10   18
     9  N1      -15.110000       6.080000      -3.515000    809    9   11
    10  C9      -15.781000       6.472000      -2.408000    810   10   12   17
    11  C10     -16.231000       5.557000      -1.437000    811   11   13   16
    12  C11     -16.919000       5.986000      -0.303000    812   12   14   45
    13  C12     -17.176000       7.339000      -0.113000    813   13   15   46
    14  C13     -16.743000       8.255000      -1.062000    814   14   17   47
    15  C14     -15.979000       4.204000      -1.627000    815   12   18   48
    16  C15     -16.055000       7.815000      -2.193000    816   15   49   11
    17  C16     -15.305000       3.780000      -2.759000    817   16   50    9
    18  N2      -10.738000       7.620000      -4.218000    818    2   20   51   52
    19  C17     -11.219000       6.625000      -2.091000    832   20   53   54   55
    20  C18     -11.287000       7.915000      -2.869000    819   19   33   56   57
    21  C19     -12.546000       8.915000      -5.213000    800    2   21   58   59
    22  C20     -11.701000      10.140000      -5.307000    820    1   22   26
    23  C21     -10.881000      10.348000      -6.412000    821   21   23   60
    24  C22     -10.121000      11.512000      -6.506000    822   22   24   61
    25  C23     -10.182000      12.471000      -5.495000    823   23   25   62
    26  C24     -11.003000      12.277000      -4.384000    824   24   27   26
    27  C25     -11.764000      11.109000      -4.305000    825   21   63   25
    28  C26     -11.080000      13.244000      -3.309000    826   25   28   32
    29  O1      -11.108000      12.761000      -2.035000    827   27   29
    30  N3      -11.187000      13.869000      -1.194000    828   28   30
    31  C27     -11.199000      14.912000      -2.038000    829   29   31   32
    32  N4      -11.268000      16.224000      -1.709000    830   30   64   65
    33  N5      -11.139000      14.555000      -3.369000    831   30   27
    34  H1      -11.211000       7.646000      -6.305000    833    2
    35  H2      -13.170000       6.604000      -4.359000    834    3
    36  H3      -14.141000       7.146000      -6.440000    835    4
    37  H4      -12.948000       5.933000      -7.259000    836    4
    38  H5      -15.469000       5.575000      -5.909000    837    5
    39  H6      -14.422000       4.426000      -6.981000    838    5
    40  H7      -14.617000       3.272000      -5.131000    839    6
    41  H8      -12.608000       3.843000      -3.607000    840    7
    42  H9      -12.458000       3.179000      -5.368000    841    7
    43  H10     -11.348000       4.886000      -5.998000    842    8
    44  H11     -11.166000       5.307000      -4.167000    843    8
    45  H12     -17.257000       5.261000       0.438000    844   13
    46  H13     -17.713000       7.679000       0.773000    845   14
    47  H14     -16.943000       9.317000      -0.920000    846   15
    48  H15     -16.310000       3.475000      -0.888000    847   16
    49  H16     -15.721000       8.543000      -2.932000    848   17
    50  H17     -15.104000       2.722000      -2.926000    849   18
    51  H18     -10.411000       6.666000      -4.170000    850   19
    52  H19     -10.087000       8.368000      -4.411000    851   19
    53  H20     -11.231000       6.844000      -1.023000    852   33
    54  H21     -12.077000       6.003000      -2.344000    853   33
    55  H22     -10.300000       6.096000      -2.344000    854   33
    56  H23     -10.610000       8.624000      -2.393000    855   20
    57  H24     -12.339000       8.169000      -2.998000    856   20
    58  H25     -13.210000       8.942000      -6.077000    857    1
    59  H26     -12.962000       8.915000      -4.206000    858    1
    60  H27     -10.834000       9.600000      -7.203000    859   22
    61  H28      -9.478000      11.673000      -7.371000    860   23
    62  H29      -9.584000      13.379000      -5.574000    861   24
    63  H30     -12.418000      10.951000      -3.447000    862   26
    64  H31     -10.420000      16.759000      -1.586000    863   31
    65  H32     -12.167000      16.667000      -1.586000    864   31