* LIGAND DATABASE FILE (OPLS2005)
*
001      61    60    104    157     309
    1     0 S   NP   _N1_     1    28.50954    95.48546   -23.61345
    2     1 S   H    _HN1     2     1.02781   105.55339   -84.05438
    3     1 S   H    _H1_     3     1.02958    77.92320    21.85324
    4     1 S   H    _H2_     4     1.02835    32.04599   176.96062
    5     1 S   CT   _CA1     5     1.50134   135.32861   128.73920
    6     5 S   HC   _HA1     6     1.09577   105.20103    84.22565
    7     5 S   CO3  _C1_     7     1.53757   112.34673   -35.92908
    8     7 S   O2Z  _O11     8     1.26360   114.99954   -44.47728
    9     7 S   O2Z  _O12     9     1.26230   114.90761   134.53787
   10     5 S   CT   _CB1    10     1.53078   107.40845  -157.92075
   11    10 S   HC   HB11    11     1.09831   109.24296   -50.78091
   12    10 S   HC   HB12    12     1.09816   110.45607    65.73112
   13    10 S   CT   _CG1    13     1.53042   112.74106  -171.86223
   14    13 S   HC   HG11    14     1.09591   110.52077   -65.60442
   15    13 S   HC   HG12    15     1.09659   109.91246    53.64911
   16    13 S   C    _CD1    16     1.51843   112.20510   173.94265
   17    16 S   O    _OE1    17     1.22739   123.21036     1.90146
   18    16 S   N    _N2_    18     1.38637   111.76398  -177.81305
   19    18 S   H    _HN2    19     1.01597   119.08014     0.99819
   20    18 S   CT1  _CA2    20     1.46174   123.34710   178.69239
   21    20 S   HC   _HA2    21     1.09742   109.35163     1.23670
   22    20 S   C    _C2_    22     1.53587   109.05318  -114.37324
   23    22 S   O    _O2_    23     1.23083   122.02780  -148.29798
   24    20 S   CT   _CB2    32     1.53439   111.55389   123.17074
   25    24 S   HC   HB21    33     1.09435   109.62179    56.34302
   26    24 S   HC   HB22    34     1.09400   109.53702   175.05767
   27    22 S   N    _N3_    24     1.38436   113.77607    39.33248
   28    27 S   H    _HN3    25     1.01470   119.03959    -0.68300
   29    24 S   S    _SG2    35     1.83006   111.42690   -65.51372
   30    27 S   CT   _CA3    26     1.45443   123.38628   175.04295
   31    30 S   HC   HA31    27     1.09525   109.24346    25.59142
   32    30 S   HC   HA32    28     1.09498   107.16012   142.57603
   33    29 S   CT   _C12    36     1.89991   101.48497   171.75107
   34    30 S   CO3  _C3_    29     1.52899   112.94183   -97.87262
   35    34 S   O2Z  _O31    30     1.26411   115.29453   -48.15548
   36    34 S   O2Z  _O32    31     1.26337   115.05360   132.69013
   37    33 S   CT   _C6_    37     1.56235   110.57295    55.05465
   38    37 S   HC   _H7_    38     1.09946   108.74358   178.52674
   39    37 S   HC   _H8_    39     1.09840   108.48040   -68.19061
   40    33 S   CM   _C7_    49     1.53425   104.38707   -69.08270
   41    40 S   HC   _H9_    50     1.09280   114.86381   -57.78265
   42    33 S   CM   _C8_    54     1.53135   105.72422   175.25967
   43    42 S   HC   _H10    55     1.08945   116.60446   -13.29935
   44    37 S   CT   _C4_    40     1.54148   117.83232    54.75804
   45    44 S   HC   _H6_    41     1.09348   111.58295   -51.48022
   46    40 S   CMA  _C9_    51     1.34972   128.57707   122.22236
   47    46 S   OM   _O3_    52     1.25930   131.13590  -179.10125
   48    46 S   HC   _H11    53     1.08823   113.97672     0.98477
   49    42 S   CM   _C10    56     1.34439   126.40424   167.86219
   50    44 S   NP   _N4_    42     1.51068   106.44648  -164.11028
   51    50 S   H    _H3_    43     1.02826   110.63984   177.79655
   52    50 S   H    _H4_    44     1.02788   112.13004    57.34419
   53    50 S   H    _H5_    45     1.02939   110.32546   -63.60882
   54    44 S   CO3  _C5_    46     1.53950   114.17198    73.86682
   55    54 S   O2Z  _O1_    47     1.26266   114.85112  -119.58669
   56    54 S   O2Z  _O33    48     1.26366   115.05367    63.27769
   57    49 S   CO3  _C11    57     1.55180   122.28338  -179.66487
   58    57 S   O2Z  _O4_    58     1.26813   113.95553  -175.33914
   59    57 S   O2Z  _O5_    59     1.26276   116.88129     5.43026
   60    49 S   OH   _O6_    60     1.38216   121.88222     1.20691
   61    60 S   HO   _H12    61     0.97544   106.14684   178.31159
  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  11   5   4   3
  17   2   1   1  17   7   6   8   4   9   3   8   7   2   1   1
   5   6   3   2   1   2   1   1   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    40    41    46    42    43    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    54    40    41    46    47    48    42    43    49    57    60  
   35    36  
   36  
    0  
   38    39    44    45    50    51    52    53    54    55    56    40    41    46    42    43    49  
   39    44    45    50    54    40    42  
   44    45    50    54    40    42  
   41    46    47    48    42    43    49    44  
   46    47    48    42  
   43    49    57    58    59    60    61    44    46  
   49    57    60  
   45    50    51    52    53    54    55    56  
   50    51    52    53    54    55    56  
   47    48  
   48  
    0  
   57    58    59    60    61  
   51    52    53    54    55    56  
   52    53    54  
   53    54  
   54  
   55    56  
   56  
    0  
   58    59    60    61  
   59    60  
   60  
   61  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   50   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   51   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   53   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   55   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   56   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   57   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   317.000  1.510
   33    42   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    50   367.000  1.471
   44    54   317.000  1.522
   50    51   434.000  1.010
   50    52   434.000  1.010
   50    53   434.000  1.010
   54    55   656.000  1.250
   54    56   656.000  1.250
   40    41   340.000  1.080
   40    46   465.000  1.376
   46    47   745.000  1.250
   46    48   335.000  1.111
   42    43   340.000  1.080
   42    49   549.000  1.340
   49    57   230.000  1.545
   49    60   510.000  1.338
   57    58   656.000  1.250
   57    59   656.000  1.250
   60    61   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  112.20000
   29    33    42    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    46    70.00000  124.00000
   33    42    43    35.00000  117.00000
   33    42    49    70.00000  124.00000
   37    44    45    37.50000  110.70000
   37    44    50    80.00000  111.20000
   37    44    54    70.00000  109.69300
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   44    54    55    70.00000  117.00000
   44    54    56    70.00000  117.00000
   50    44    45    35.00000  109.50000
   52    50    51    35.00000  109.50000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   54    44    45    35.00000  109.50000
   54    44    50    80.00000  109.26000
   56    54    55    80.00000  126.00000
   40    33    37    70.00000  112.02700
   40    46    47    65.00000  137.10300
   40    46    48    45.00000  105.30000
   46    40    41    40.00000  120.50800
   48    46    47    50.00000  124.16400
   42    33    37    70.00000  112.02700
   42    33    40    70.00000  110.12100
   42    49    57    55.00000  124.75400
   42    49    60    80.00000  121.38400
   49    42    43    35.00000  120.00000
   49    57    58    85.00000  113.83300
   49    57    59    85.00000  113.83300
   49    60    61    70.00000  107.45700
   59    57    58    80.00000  126.00000
   60    49    57    80.00000  119.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   24    29    33    42  -0.62250  1.0 1.0
   24    29    33    42  -0.38450 -1.0 2.0
   24    29    33    42   0.81900  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    46   0.42700  1.0 1.0
   29    33    40    46  -0.70350 -1.0 2.0
   29    33    40    46  -0.43150  1.0 3.0
   29    33    42    43   0.00000  1.0 1.0
   29    33    42    49   0.42700  1.0 1.0
   29    33    42    49  -0.70350 -1.0 2.0
   29    33    42    49  -0.43150  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    50   1.36600  1.0 1.0
   33    37    44    50  -0.11450 -1.0 2.0
   33    37    44    50   0.24250  1.0 3.0
   33    37    44    54  -1.63150  1.0 1.0
   33    37    44    54  -0.43550 -1.0 2.0
   33    37    44    54   0.24500  1.0 3.0
   33    40    46    47   7.00000 -1.0 2.0
   33    40    46    48   7.00000 -1.0 2.0
   33    42    49    57   7.00000 -1.0 2.0
   33    42    49    60   7.00000 -1.0 2.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    46   0.09850  1.0 1.0
   37    33    40    46   0.15250 -1.0 2.0
   37    33    40    46  -0.50650  1.0 3.0
   37    33    42    43   0.00000  1.0 1.0
   37    33    42    49   0.09850  1.0 1.0
   37    33    42    49   0.15250 -1.0 2.0
   37    33    42    49  -0.50650  1.0 3.0
   37    44    50    51   0.17350  1.0 3.0
   37    44    50    52   0.17350  1.0 3.0
   37    44    50    53   0.17350  1.0 3.0
   37    44    54    55   0.41150 -1.0 2.0
   37    44    54    56   0.41150 -1.0 2.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    50   0.19200  1.0 3.0
   38    37    44    54  -0.11250  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    50   0.19200  1.0 3.0
   39    37    44    54  -0.11250  1.0 3.0
   45    44    50    51   0.13050  1.0 3.0
   45    44    50    52   0.13050  1.0 3.0
   45    44    50    53   0.13050  1.0 3.0
   45    44    54    55   0.00000  1.0 1.0
   45    44    54    56   0.00000  1.0 1.0
   50    44    54    55   0.30150 -1.0 2.0
   50    44    54    56   0.30150 -1.0 2.0
   54    44    50    51   0.17350  1.0 3.0
   54    44    50    52   0.17350  1.0 3.0
   54    44    50    53   0.17350  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.34400  1.0 1.0
   40    33    37    44   0.09450 -1.0 2.0
   40    33    37    44   0.11100  1.0 3.0
   40    33    42    43   0.00000  1.0 1.0
   40    33    42    49  -0.28300  1.0 1.0
   40    33    42    49   0.26700 -1.0 2.0
   40    33    42    49  -0.63300  1.0 3.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    44   0.34400  1.0 1.0
   42    33    37    44   0.09450 -1.0 2.0
   42    33    37    44   0.11100  1.0 3.0
   42    33    40    41   0.00000  1.0 1.0
   42    33    40    46  -0.28300  1.0 1.0
   42    33    40    46   0.26700 -1.0 2.0
   42    33    40    46  -0.63300  1.0 3.0
   42    49    57    58  -0.04000 -1.0 2.0
   42    49    57    58  -0.29050  1.0 3.0
   42    49    57    59  -0.04000 -1.0 2.0
   42    49    57    59  -0.29050  1.0 3.0
   42    49    60    61  -0.66100  1.0 1.0
   42    49    60    61   1.20850 -1.0 2.0
   42    49    60    61  -0.36000  1.0 3.0
   43    42    49    57   7.00000 -1.0 2.0
   43    42    49    60   7.00000 -1.0 2.0
   57    49    60    61   2.00000 -1.0 2.0
   60    49    57    58   1.68800 -1.0 2.0
   60    49    57    59   1.68800 -1.0 2.0
IPHI
    9     5     7     8  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
   36    30    34    35  10.50000 -1.0 2.0
   55    44    54    56  10.50000 -1.0 2.0
   33    41    40    46  15.00000 -1.0 2.0
   47    48    46    40  15.00000 -1.0 2.0
   33    43    42    49  15.00000 -1.0 2.0
   57    60    49    42  15.00000 -1.0 2.0
   58    49    57    59  10.50000 -1.0 2.0
END
