* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    112    171     325
    1     0 S   NP   _N1_     1    28.94170    93.57288   -20.23796
    2     1 S   H    _HN1     2     1.02786    83.42296   -75.63195
    3     1 S   H    _H1_     3     1.02954   101.82178    31.72984
    4     1 S   H    _H2_     4     1.02839    28.68347   135.81683
    5     1 S   CT   _CA1     5     1.50144   136.16148   168.97904
    6     5 S   HC   _HA1     6     1.09563   105.26540    43.21754
    7     5 S   CO3  _C1_     7     1.53881   112.14315   -77.12759
    8     7 S   O2Z  _O11     8     1.26444   115.10393   -46.74273
    9     7 S   O2Z  _O12     9     1.26213   114.98788   132.23243
   10     5 S   CT   _CB1    10     1.53071   107.40629   161.24222
   11    10 S   HC   HB11    11     1.09821   109.66079   -47.86577
   12    10 S   HC   HB12    12     1.09834   110.26950    68.72950
   13    10 S   CT   _CG1    13     1.53066   112.67011  -168.90417
   14    13 S   HC   HG11    14     1.09503   110.41574   -55.59314
   15    13 S   HC   HG12    15     1.09606   110.23445    63.43221
   16    13 S   C    _CD1    16     1.51840   111.68219  -176.59579
   17    16 S   O    _OE1    17     1.22784   122.94567   -19.10612
   18    16 S   N    _N2_    18     1.38567   112.04479   161.64372
   19    18 S   H    _HN2    19     1.01588   119.07537     1.46433
   20    18 S   CT1  _CA2    20     1.46320   123.32325  -175.85542
   21    20 S   HC   _HA2    21     1.09729   109.34836   -15.20183
   22    20 S   C    _C2_    22     1.53340   108.49717  -131.11081
   23    22 S   O    _O2_    23     1.23013   122.23789  -146.34662
   24    20 S   CT   _CB2    32     1.53575   111.14373   106.71188
   25    24 S   HC   HB21    33     1.09513   109.26671    56.74258
   26    24 S   HC   HB22    34     1.09499   110.84579   175.24465
   27    22 S   N    _N3_    24     1.38512   113.35344    41.09990
   28    27 S   H    _HN3    25     1.01532   118.89518    -0.64468
   29    24 S   S    _SG2    35     1.82670   111.46824   -65.02850
   30    27 S   CT   _CA3    26     1.45438   123.38523   175.14018
   31    30 S   HC   HA31    27     1.09529   109.15207    25.99437
   32    30 S   HC   HA32    28     1.09494   107.14442   142.97337
   33    29 S   CT   _C11    36     1.83195    99.70414   152.90185
   34    33 S   F    F1__    37     1.36226   109.86389   -44.98669
   35    33 S   F    F2__    38     1.36822   107.43178    67.67379
   36    30 S   CO3  _C3_    29     1.52923   113.16962   -97.43060
   37    36 S   O2Z  _O31    30     1.26398   115.42921   -44.48219
   38    36 S   O2Z  _O32    31     1.26360   114.97351   136.47485
   39    33 S   CA   _C5_    39     1.51732   110.23499  -170.27617
   40    39 S   CA   _C4_    40     1.41502   116.86143   -87.47832
   41    40 S   HA   _H3_    41     1.09088   118.64324     0.20367
   42    40 S   CA   _C9_    42     1.40343   123.01476  -179.82086
   43    42 S   CA   _C8_    43     1.39609   116.72890     0.97438
   44    43 S   CA   _C7_    44     1.39743   122.28990    -0.95879
   45    44 S   HA   _H4_    45     1.08586   118.87458   179.35472
   46    43 S   SY   _S1_    53     1.76506   120.09030   177.61443
   47    46 S   OY   _O33    54     1.44887   107.89844  -131.06416
   48    46 S   OY   _O34    55     1.44881   106.47862    96.58467
   49    39 S   CA   _C6_    46     1.40807   125.25803    92.49140
   50    46 S   NS   _N5_    56     1.70269   101.16088   -17.76815
   51    50 S   H    _H8_    57     1.02582   116.21685   -90.42044
   52    49 S   SY   _S2_    47     1.77979   121.75089    -0.70221
   53    52 S   OY   _O35    48     1.44796   107.74505   -48.76574
   54    52 S   OY   _O36    49     1.44848   106.31523    83.82911
   55    50 S   CT   _C10    58     1.46728   114.48940    47.33580
   56    55 S   HC   _H6_    59     1.09475   108.49911   178.94575
   57    55 S   HC   _H7_    60     1.09563   109.78206    62.16160
   58    52 S   NS   _N6_    50     1.70339   104.18580  -161.82938
   59    58 S   H    _H9_    51     1.03170   115.79598   112.33222
   60    58 S   H    _H10    52     1.02617   116.22155  -111.73848
   61    42 S   NE   _N4_    61     1.38533   119.12140   178.74836
   62    61 S   H    _H5_    62     1.01348   118.53423     6.30422
  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   6   5   4   3
   9   4   3   2   1   1  12  10   4  13  12  11   3   9   4   3
   6   6   4   5   4   3   4   3   2   2   1   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    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    49    52  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    52    53    54    58    61  
   41    42    43    44    49    52    46    55    61    62  
   42    43    49    61  
   43    44    45    49    46    47    48    50    55    56    57    61    62  
   44    45    49    52    46    47    48    50    51    55    61    62  
   45    49    52    53    54    58    46    47    48    50    61  
   49    52    46  
   47    48    50    51    55    56    57    61    49  
   48    50    51    55  
   50    51    55  
   52    53    54    58    59    60  
   51    55    56    57    61    62  
   55    56    57    61  
   53    54    58    59    60  
   54    58    59    60  
   58    59    60  
   56    57    61    62  
   57    61    62  
   61    62  
   59    60  
   60  
    0  
   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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   47   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   50   3.2500   0.1700  -0.652700   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   53   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.767800   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   61   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   62   0.5000   0.0300   0.380000   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    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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    61   481.000  1.340
   43    44   469.000  1.400
   43    46   225.000  1.779
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    52   225.000  1.779
   52    53   735.000  1.471
   52    54   735.000  1.471
   52    58   245.000  1.722
   58    59   500.000  1.020
   58    60   500.000  1.020
   46    47   735.000  1.471
   46    48   735.000  1.471
   46    50   245.000  1.722
   50    51   500.000  1.020
   50    55   300.000  1.458
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   382.000  1.448
   61    62   434.000  1.010
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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    44    63.00000  120.00000
   39    49    52    65.00000  117.06700
   40    42    43    63.00000  120.00000
   40    42    61    70.00000  120.10000
   42    40    41    35.00000  120.00000
   42    43    44    63.00000  120.00000
   42    43    46    65.00000  117.06700
   42    61    55    50.00000  120.00000
   42    61    62    35.00000  113.50000
   43    44    45    35.00000  120.00000
   43    44    49    63.00000  120.00000
   43    46    47   100.00000  107.67100
   43    46    48   100.00000  107.67100
   43    46    50    95.00000  101.59200
   44    49    52    65.00000  117.06700
   49    39    40    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    52    53   100.00000  107.67100
   49    52    54   100.00000  107.67100
   49    52    58    95.00000  101.59200
   52    58    59    50.00000  110.93800
   52    58    60    50.00000  110.93800
   54    52    53   115.00000  120.17200
   58    52    53   115.00000  107.22500
   58    52    54   115.00000  107.22500
   60    58    59    35.00000  109.80100
   46    43    44    65.00000  117.06700
   46    50    51    50.00000  110.93800
   46    50    55    75.00000  117.08200
   48    46    47   115.00000  120.17200
   50    46    47   115.00000  107.22500
   50    46    48   115.00000  107.22500
   50    55    56    50.00000  109.35000
   50    55    57    50.00000  109.35000
   50    55    61    85.00000  107.56000
   55    50    51    45.00000  110.67700
   55    61    62    35.00000  112.50000
   57    55    56    33.00000  107.80000
   61    42    43    70.00000  120.10000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    44   3.62500 -1.0 2.0
   33    39    49    52   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    61   3.62500 -1.0 2.0
   39    49    52    53   0.19500  1.0 1.0
   39    49    52    53   0.12000 -1.0 2.0
   39    49    52    54   0.19500  1.0 1.0
   39    49    52    54   0.12000 -1.0 2.0
   39    49    52    58  -0.49050  1.0 1.0
   39    49    52    58   0.22250 -1.0 2.0
   39    49    52    58  -0.39350  1.0 3.0
   40    39    49    44   3.62500 -1.0 2.0
   40    39    49    52   3.62500 -1.0 2.0
   40    42   -43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    61    55  -1.00000  1.0 1.0
   40    42    61    55   1.25000 -1.0 2.0
   40    42    61    62   1.00000 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    61   3.62500 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43    46    47   0.19500  1.0 1.0
   42    43    46    47   0.12000 -1.0 2.0
   42    43    46    48   0.19500  1.0 1.0
   42    43    46    48   0.12000 -1.0 2.0
   42    43    46    50  -0.49050  1.0 1.0
   42    43    46    50   0.22250 -1.0 2.0
   42    43    46    50  -0.39350  1.0 3.0
   43    42    61    55  -1.00000  1.0 1.0
   43    42    61    55   1.25000 -1.0 2.0
   43    42    61    62   1.00000 -1.0 2.0
   43    44   -49    39   3.62500 -1.0 2.0
   43    44    49    52   3.62500 -1.0 2.0
   43    46    50    51   1.01100  1.0 1.0
   43    46    50    51  -0.22250 -1.0 2.0
   43    46    50    51   1.33750  1.0 3.0
   43    46   -50    55  -0.64500  1.0 1.0
   43    46   -50    55  -1.19050 -1.0 2.0
   43    46   -50    55  -0.04400  1.0 3.0
   44    43    46    47   0.19500  1.0 1.0
   44    43    46    47   0.12000 -1.0 2.0
   44    43    46    48   0.19500  1.0 1.0
   44    43    46    48   0.12000 -1.0 2.0
   44    43    46    50  -0.49050  1.0 1.0
   44    43    46    50   0.22250 -1.0 2.0
   44    43    46    50  -0.39350  1.0 3.0
   44    49    52    53   0.19500  1.0 1.0
   44    49    52    53   0.12000 -1.0 2.0
   44    49    52    54   0.19500  1.0 1.0
   44    49    52    54   0.12000 -1.0 2.0
   44    49    52    58  -0.49050  1.0 1.0
   44    49    52    58   0.22250 -1.0 2.0
   44    49    52    58  -0.39350  1.0 3.0
   45    44    49    39   3.62500 -1.0 2.0
   45    44    49    52   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   49    52    58    59   1.01100  1.0 1.0
   49    52    58    59  -0.22250 -1.0 2.0
   49    52    58    59   1.33750  1.0 3.0
   49    52    58    60   1.01100  1.0 1.0
   49    52    58    60  -0.22250 -1.0 2.0
   49    52    58    60   1.33750  1.0 3.0
   53    52    58    59   1.12100  1.0 1.0
   53    52    58    59   0.54800 -1.0 2.0
   53    52    58    59  -0.29400  1.0 3.0
   53    52    58    60   1.12100  1.0 1.0
   53    52    58    60   0.54800 -1.0 2.0
   53    52    58    60  -0.29400  1.0 3.0
   54    52    58    59   1.12100  1.0 1.0
   54    52    58    59   0.54800 -1.0 2.0
   54    52    58    59  -0.29400  1.0 3.0
   54    52    58    60   1.12100  1.0 1.0
   54    52    58    60   0.54800 -1.0 2.0
   54    52    58    60  -0.29400  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    49   3.62500 -1.0 2.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    61   0.23200  1.0 1.0
   46    50    55    61   0.02100 -1.0 2.0
   46    50    55    61   0.24950  1.0 3.0
   47    46    50    51   1.12100  1.0 1.0
   47    46    50    51   0.54800 -1.0 2.0
   47    46    50    51  -0.29400  1.0 3.0
   47    46    50    55  -0.30400  1.0 1.0
   47    46    50    55   0.50450 -1.0 2.0
   47    46    50    55   0.65550  1.0 3.0
   48    46    50    51   1.12100  1.0 1.0
   48    46    50    51   0.54800 -1.0 2.0
   48    46    50    51  -0.29400  1.0 3.0
   48    46    50    55  -0.30400  1.0 1.0
   48    46    50    55   0.50450 -1.0 2.0
   48    46    50    55   0.65550  1.0 3.0
   50    55   -61    42  -0.12500  1.0 1.0
   50    55   -61    42  -0.12500 -1.0 2.0
   50    55   -61    42   0.25000  1.0 3.0
   50    55    61    62  -0.12500  1.0 1.0
   50    55    61    62  -0.12500 -1.0 2.0
   50    55    61    62   0.25000  1.0 3.0
   51    50    55    56   0.07700  1.0 3.0
   51    50    55    57   0.07700  1.0 3.0
   51    50    55    61  -0.05900  1.0 1.0
   51    50    55    61   0.08350 -1.0 2.0
   51    50    55    61   0.12500  1.0 3.0
   56    55    61    42   0.00000  1.0 1.0
   56    55    61    62   0.00000  1.0 1.0
   57    55    61    42   0.00000  1.0 1.0
   57    55    61    62   0.00000  1.0 1.0
   61    42    43    44   3.62500 -1.0 2.0
   61    42   -43    46   3.62500 -1.0 2.0
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
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    61    42    40   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   44    52    49    39   4.00000 -1.0 2.0
   60    52    58    59   1.00000 -1.0 2.0
   51    46    50    55   1.00000 -1.0 2.0
   62    42    61    55   1.00000 -1.0 2.0
END
