* LIGAND DATABASE FILE (OPLS2005)
*
001      62    61    110    158     321
    1     0 S   NP   _N1_     1    28.87108    93.76509   -21.87234
    2     1 S   H    _HN1     2     1.02963    90.07329    30.55138
    3     1 S   H    _H1_     3     1.02835    25.63737   162.97696
    4     1 S   H    _H2_     4     1.02779    96.24134   -77.88390
    5     1 S   CT   _CA1     5     1.50126   135.97297   150.71535
    6     5 S   HC   _HA1     6     1.09576   105.22890    64.77922
    7     5 S   CO3  _C1_     7     1.53775   112.40347   -55.40894
    8     7 S   O2Z  _O11     8     1.26356   115.00550   -43.53652
    9     7 S   O2Z  _O12     9     1.26240   114.91622   135.63773
   10     5 S   CT   _CB1    10     1.53085   107.41283  -177.34001
   11    10 S   HC   HB11    11     1.09826   109.27612   -51.05229
   12    10 S   HC   HB12    12     1.09825   110.42445    65.45870
   13    10 S   CT   _CG1    13     1.53027   112.73449  -172.19189
   14    13 S   HC   HG11    14     1.09593   110.42338   -64.19823
   15    13 S   HC   HG12    15     1.09647   110.03150    55.06941
   16    13 S   C    _CD1    16     1.51789   112.23645   175.34533
   17    16 S   O    _OE1    17     1.22725   123.20251    -3.15641
   18    16 S   N    _N2_    18     1.38639   111.74141   177.11161
   19    18 S   H    _HN2    19     1.01590   119.08399     0.43656
   20    18 S   CT1  _CA2    20     1.46061   123.21279  -179.83929
   21    20 S   HC   _HA2    21     1.09493   109.10732   -13.24443
   22    20 S   C    _C2_    22     1.53285   108.39423  -127.90723
   23    22 S   O    _O2_    23     1.22989   122.38203  -143.29884
   24    20 S   CT   _CB2    32     1.53337   111.89509   109.18841
   25    24 S   HC   HB21    33     1.09644   109.67641    58.88178
   26    24 S   HC   HB22    34     1.09562   110.99974   176.41073
   27    22 S   N    _N3_    24     1.38559   113.10999    44.44892
   28    27 S   H    _HN3    25     1.01515   118.94225    -1.18960
   29    24 S   S    _SG2    35     1.82917   114.39270   -61.04552
   30    27 S   CT   _CA3    26     1.45403   123.19637   173.23520
   31    30 S   HC   HA31    27     1.09539   108.89839    30.50817
   32    30 S   HC   HA32    28     1.09477   107.19165   147.61218
   33    29 S   CT   _C11    36     1.83137    99.74611   -69.21368
   34    33 S   HC   _H16    37     1.09210   106.78948    59.34121
   35    33 S   HC   _H17    38     1.09587   107.26006   -56.30332
   36    30 S   CO3  _C3_    29     1.53044   113.49744   -92.54725
   37    36 S   O2Z  _O31    30     1.26380   115.73849   -34.43845
   38    36 S   O2Z  _O32    31     1.26402   114.73855   146.44713
   39    33 S   CT   _C8_    39     1.55606   116.11537  -178.95620
   40    39 S   CT   _C9_    40     1.54508   110.58417   -62.62720
   41    40 S   HC   _H10    41     1.09519   111.40048   -54.44717
   42    40 S   HC   _H11    42     1.09547   111.52638  -174.93411
   43    40 S   HC   _H12    43     1.09527   111.75989    65.61648
   44    39 S   CT   _C10    44     1.54830   110.51500    56.75742
   45    44 S   HC   _H13    45     1.09582   110.87999    56.95084
   46    44 S   HC   _H14    46     1.09573   111.57597   176.96140
   47    44 S   HC   _H15    47     1.09476   112.19549   -63.71358
   48    39 S   CT   _C7_    48     1.56583   109.45505   175.36883
   49    48 S   HC   _H3_    49     1.09732   109.46797   -61.76711
   50    48 S   C    _C6_    50     1.53201   114.15241    60.83367
   51    50 S   O    _O33    51     1.22943   122.43109    88.52687
   52    48 S   OH   _O34    61     1.42643   110.06983  -178.88776
   53    52 S   HO   _H18    62     0.97262   107.62313   175.60154
   54    50 S   N    _N4_    52     1.38619   113.07077   -92.85963
   55    54 S   H    _H9_    53     1.01490   119.76623     0.82306
   56    54 S   CT   _C5_    54     1.45067   122.69159   179.82983
   57    56 S   HC   _H7_    55     1.09495   109.13284    35.27332
   58    56 S   HC   _H8_    56     1.09441   107.32074   152.55470
   59    56 S   CT   _C4_    57     1.51735   111.49415   -86.60438
   60    59 S   HC   _H4_    58     1.09476   110.89100   -59.24225
   61    59 S   HC   _H5_    59     1.09473   111.10078    60.60232
   62    59 S   HC   _H6_    60     1.09416   110.44347  -179.23255
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  15   5   4   2   1   1  15  11   4   3   2   7   3   2   1   8
   5   9   4   2   1   8   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    44    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    46    47    48    49    50    52  
   35    39    40    44    48  
   39    40    44    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    50    51    54    52    53  
   41    42    43    44    45    46    47    48    49    50    52  
   42    43    44    48  
   43    44    48  
   44    48  
   45    46    47    48    49    50    52  
   46    47    48  
   47    48  
   48  
   49    50    51    54    55    56    52    53  
   50    51    54    52    53  
   51    54    55    56    57    58    59    52    53  
   54    55    56    52  
   53    54  
    0  
   55    56    57    58    59    60    61    62  
   56    57    58    59  
   57    58    59    60    61    62  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    44   268.000  1.529
   39    48   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   317.000  1.522
   48    52   320.000  1.410
   50    51   570.000  1.229
   50    54   490.000  1.335
   54    55   434.000  1.010
   54    56   337.000  1.449
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    44    58.35000  112.70000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    43    37.50000  110.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   39    48    49    37.50000  110.70000
   39    48    50    63.00000  111.10000
   39    48    52    50.00000  109.50000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    39    40    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    39    40    58.35000  112.70000
   48    39    44    58.35000  112.70000
   48    50    51    80.00000  120.40000
   48    50    54    70.00000  116.60000
   48    52    53    55.00000  108.50000
   50    48    49    35.00000  109.50000
   50    54    55    35.00000  119.80000
   50    54    56    50.00000  121.90000
   54    50    51    80.00000  122.90000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    59    70.00000  110.72300
   56    54    55    38.00000  118.40000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    95.00000  109.52300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    43   0.15000  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    47   0.15000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    50  -0.95700  1.0 1.0
   33    39    48    50  -0.18200 -1.0 2.0
   33    39    48    50   0.29450  1.0 3.0
   33    39    48    52   0.86500  1.0 1.0
   33    39    48    52  -0.17500 -1.0 2.0
   33    39    48    52   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    44   0.15000  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    48    50    51   0.30150 -1.0 2.0
   39    48    50    54   1.39750  1.0 1.0
   39    48    50    54  -0.07950 -1.0 2.0
   39    48    50    54  -0.18750  1.0 3.0
   39    48    52    53  -0.11600  1.0 1.0
   39    48    52    53  -0.09450 -1.0 2.0
   39    48    52    53   0.21250  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    50  -0.95700  1.0 1.0
   40    39    48    50  -0.18200 -1.0 2.0
   40    39    48    50   0.29450  1.0 3.0
   40    39    48    52   0.86500  1.0 1.0
   40    39    48    52  -0.17500 -1.0 2.0
   40    39    48    52   0.20800  1.0 3.0
   44    39    40    41   0.15000  1.0 3.0
   44    39    40    42   0.15000  1.0 3.0
   44    39    40    43   0.15000  1.0 3.0
   44    39    48    49   0.15000  1.0 3.0
   44    39    48    50  -0.95700  1.0 1.0
   44    39    48    50  -0.18200 -1.0 2.0
   44    39    48    50   0.29450  1.0 3.0
   44    39    48    52   0.86500  1.0 1.0
   44    39    48    52  -0.17500 -1.0 2.0
   44    39    48    52   0.20800  1.0 3.0
   48    39    40    41   0.15000  1.0 3.0
   48    39    40    42   0.15000  1.0 3.0
   48    39    40    43   0.15000  1.0 3.0
   48    39    44    45   0.15000  1.0 3.0
   48    39    44    46   0.15000  1.0 3.0
   48    39    44    47   0.15000  1.0 3.0
   48    50    54    55   2.45000 -1.0 2.0
   48    50    54    56   1.49850  1.0 1.0
   48    50    54    56   1.53950 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    54   0.00000  1.0 1.0
   49    48    52    53   0.19450  1.0 3.0
   50    48    52    53   0.91850  1.0 1.0
   50    48    52    53   0.57950  1.0 3.0
   50    54    56    57   0.00000  1.0 1.0
   50    54    56    58   0.00000  1.0 1.0
   50    54    56    59  -0.43950  1.0 1.0
   50    54    56    59  -0.08100 -1.0 2.0
   50    54    56    59   0.03350  1.0 3.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    56   3.04450 -1.0 2.0
   54    56    59    60   0.15000  1.0 3.0
   54    56    59    61   0.15000  1.0 3.0
   54    56    59    62   0.15000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    59   0.00000  1.0 1.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   52    48    50    51   0.30150 -1.0 2.0
   52    48    50    54   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   48    54    50    51  10.50000 -1.0 2.0
   55    50    54    56   1.00000 -1.0 2.0
END
