* LIGAND DATABASE FILE (OPLS2005)
*
001      65    67    117    191     346
    1     0 S   NP   _N1_     1    28.08469    97.73180   -23.62983
    2     1 S   H    _HN1     2     1.02835    37.48040   157.53652
    3     1 S   H    _H1_     3     1.02777   110.44449  -109.44499
    4     1 S   H    _H2_     4     1.02957    70.93022    -6.36008
    5     1 S   CT   _CA1     5     1.50145   133.82007    93.95983
    6     5 S   HC   _HA1     6     1.09577   105.18939    94.81680
    7     5 S   CO3  _C1_     7     1.53770   112.34173   -25.31842
    8     7 S   O2Z  _O11     8     1.26366   114.98907   -43.99270
    9     7 S   O2Z  _O12     9     1.26234   114.92371   134.98778
   10     5 S   CT   _CB1    10     1.53084   107.40330  -147.31759
   11    10 S   HC   HB11    11     1.09830   109.26604   -50.52119
   12    10 S   HC   HB12    12     1.09814   110.45604    66.01277
   13    10 S   CT   _CG1    13     1.53034   112.71340  -171.58637
   14    13 S   HC   HG11    14     1.09591   110.52192   -65.65782
   15    13 S   HC   HG12    15     1.09661   109.88556    53.55653
   16    13 S   C    _CD1    16     1.51856   112.24808   173.87910
   17    16 S   O    _OE1    17     1.22764   123.26712     2.44601
   18    16 S   N    _N2_    18     1.38570   111.78613  -177.49134
   19    18 S   H    _HN2    19     1.01559   119.07321     3.79375
   20    18 S   CT1  _CA2    20     1.45817   122.77289   177.23742
   21    20 S   HC   _HA2    21     1.09736   108.89140    25.52606
   22    20 S   C    _C2_    22     1.52978   107.00787   -91.43842
   23    22 S   O    _O2_    23     1.22976   123.07842   -26.93892
   24    20 S   CT   _CB2    32     1.53331   112.37099   148.78434
   25    24 S   HC   HB21    33     1.09487   109.70512    53.72384
   26    24 S   HC   HB22    34     1.09373   109.49144   172.45413
   27    22 S   N    _N3_    24     1.38507   112.53222   155.78959
   28    27 S   H    _HN3    25     1.01653   120.34315    -2.11137
   29    24 S   S    _SG2    35     1.83072   110.75788   -67.17505
   30    27 S   CT   _CA3    26     1.45350   122.51357   178.51839
   31    30 S   HC   HA31    27     1.09565   107.80532   -56.03899
   32    30 S   HC   HA32    28     1.09562   107.61927    60.30178
   33    29 S   CT   _C13    36     1.90656   102.13624  -177.62578
   34    30 S   CO3  _C3_    29     1.52897   114.30304  -177.90772
   35    34 S   O2Z  _O31    30     1.26342   116.05392     0.69774
   36    34 S   O2Z  _O32    31     1.26435   114.41696  -179.33589
   37    33 S   CM   _C14    37     1.52373   104.63319    63.89910
   38    37 S   HC   _H9_    38     1.08833   117.45716    62.45450
   39    33 S   CT   _C12    47     1.60576   109.78624  -178.04415
   40    39 S   OM   _O37    48     1.33077   109.79189    56.03785
   41    39 S   HC   _H4_    49     1.10295   104.61943   -71.87509
   42    37 S   CM   _C15    39     1.33920   124.51578  -118.38040
   43    42 S   HC   _H10    40     1.08343   121.57005  -179.41919
   44    39 S   CT   _C10    50     1.56919   113.89275   174.19893
   45    44 S   HC   _H3_    51     1.09894   113.16480   -73.40308
   46    42 S   CO4  _C16    41     1.47889   120.60111     0.07402
   47    46 S   O    _O36    42     1.22634   121.04883  -178.93522
   48    44 S   CO4  _C11    52     1.52622   112.94760   163.03364
   49    48 S   O    _O35    53     1.21641   128.65965    61.20236
   50    44 S   OS   _O34    63     1.45651   111.36451    46.40934
   51    46 S   CM   _C17    43     1.47920   117.92477     1.42930
   52    51 S   HC   _H11    44     1.08353   117.71576   178.60408
   53    48 S   CA   _C6_    54     1.43702   107.58477  -119.62629
   54    33 S   CM   _C18    45     1.52040   107.86110   -55.15147
   55    54 S   HC   _H12    46     1.08805   117.67281   -63.74468
   56    53 S   CA   _C5_    55     1.38099   131.00092   179.27801
   57    56 S   HA   _H6_    56     1.08385   121.73076    -0.05234
   58    56 S   CA   _C4_    57     1.39560   117.09861  -180.00000
   59    58 S   HA   _H5_    58     1.08650   119.37337   179.97202
   60    58 S   CA   _C9_    59     1.40619   120.00267    -0.02798
   61    60 S   CA   _C8_    60     1.39699   121.53778    -0.00000
   62    61 S   HA   _H7_    61     1.08441   121.25097  -179.97202
   63    60 S   OH   _O33    64     1.36805   120.60870   179.98022
   64    63 S   HO   _H8_    65     0.97239   108.59806     0.00000
   65    53 S   CA   _C7_    62     1.37604   105.79298    -0.77808
  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
  16   2   1   1  12   5  13   6   5   6   3   9   5   5   3   8
   4   6   3   2   8   1   1   7   4   7   3   5   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    51    54    55    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    51    52    54    55    39    40    41    44    45    48    50  
   35    36  
   36  
    0  
   38    42    43    46    47    51    54    55    39    40    41    44  
   42    43    46    54    39  
   40    41    44    45    48    49    53    65    50    42    51    54    55  
   41    44    45    48    50    54  
   44    45    48    50    54  
   43    46    47    51    52    54  
   46    47    51  
   45    48    49    53    56    61    65    50    54  
   48    49    53    65    50  
   47    51    52    54    55  
   51    52    54  
   49    53    56    57    58    61    65    50  
   53    56    65    50  
   53    56    60    61    62    65  
   52    54    55  
   54    55  
   56    57    58    59    60    61    62    65  
   55  
    0  
   57    58    59    60    61    65    63  
   58    59    60    65  
   59    60    61    62    65    63    64  
   60    61    63  
   61    62    65    63    64  
   62    65    63    64  
   65    63  
   64    65  
    0  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    54   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    51   320.000  1.462
   51    52   340.000  1.080
   51    54   549.000  1.340
   54    55   340.000  1.080
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   317.000  1.522
   44    50   320.000  1.410
   48    49   570.000  1.229
   48    53   310.000  1.470
   53    56   469.000  1.400
   53    65   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    50   450.000  1.364
   63    64   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  112.20000
   29    33    54    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    54    51    70.00000  124.00000
   33    54    55    35.00000  117.00000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    51    65.00000  118.65900
   46    42    43    40.00000  117.72500
   46    51    52    40.00000  117.72500
   46    51    54    65.00000  118.96000
   51    46    47    80.00000  123.72100
   51    54    55    35.00000  120.00000
   54    33    37    70.00000  110.12100
   54    51    52    35.00000  120.00000
   39    33    37    70.00000  112.02700
   39    33    54    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    48    63.00000  111.10000
   39    44    50    50.00000  109.50000
   41    39    40    45.00000  125.66300
   44    39    40    50.00000  109.50000
   44    39    41    37.50000  110.70000
   44    48    49    80.00000  120.40000
   44    48    53    65.00000  115.47100
   44    50    65    75.00000  111.00000
   48    44    45    35.00000  109.50000
   48    53    56    60.00000  119.52600
   48    53    65    60.00000  119.52600
   53    48    49    75.00000  123.78400
   53    56    57    35.00000  120.00000
   53    56    58    63.00000  120.00000
   53    65    61    63.00000  120.00000
   53    65    50    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    63.00000  120.00000
   58    60    63    70.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    50    70.00000  120.00000
   65    53    56    63.00000  120.00000
   65    61    62    35.00000  120.00000
   50    44    45    35.00000  109.50000
   50    44    48    90.00000  108.74100
   63    60    61    70.00000  120.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   0.81900  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    54    51   0.42700  1.0 1.0
   29    33    54    51  -0.70350 -1.0 2.0
   29    33    54    51  -0.43150  1.0 3.0
   29    33    54    55   0.00000  1.0 1.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  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
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48  -0.95700  1.0 1.0
   33    39    44    48  -0.18200 -1.0 2.0
   33    39    44    48   0.29450  1.0 3.0
   33    39    44    50   0.62750  1.0 1.0
   33    39    44    50  -0.30950 -1.0 2.0
   33    39    44    50   0.27300  1.0 3.0
   37    33    54    51  -0.28300  1.0 1.0
   37    33    54    51   0.26700 -1.0 2.0
   37    33    54    51  -0.63300  1.0 3.0
   37    33    54    55   0.00000  1.0 1.0
   37    33    39    40   0.61850  1.0 1.0
   37    33    39    40  -0.22750 -1.0 2.0
   37    33    39    40   0.15300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    51  -1.18350  1.0 1.0
   37    42   -46    51   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    51    52   0.93700 -1.0 2.0
   42    46    51    54  -1.18350  1.0 1.0
   42    46    51    54   1.45950 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    51   0.93700 -1.0 2.0
   46    51   -54    33   7.00000 -1.0 2.0
   46    51    54    55   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    54   1.00000 -1.0 2.0
   52    51    54    33   7.00000 -1.0 2.0
   52    51    54    55   7.00000 -1.0 2.0
   54    33    37    38   0.00000  1.0 1.0
   54    33   -37    42  -0.28300  1.0 1.0
   54    33   -37    42   0.26700 -1.0 2.0
   54    33   -37    42  -0.63300  1.0 3.0
   54    33    39    40   0.61850  1.0 1.0
   54    33    39    40  -0.22750 -1.0 2.0
   54    33    39    40   0.15300  1.0 3.0
   54    33    39    41   0.15000  1.0 3.0
   54    33    39    44   0.34400  1.0 1.0
   54    33    39    44   0.09450 -1.0 2.0
   54    33    39    44   0.11100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    54    51   0.09850  1.0 1.0
   39    33    54    51   0.15250 -1.0 2.0
   39    33    54    51  -0.50650  1.0 3.0
   39    33    54    55   0.00000  1.0 1.0
   39    44    48    49   0.30150 -1.0 2.0
   39    44    48    53   0.05850 -1.0 2.0
   39    44    48    53   0.17250  1.0 3.0
   39    44    50    65  -0.32850  1.0 1.0
   39    44    50    65  -0.35800 -1.0 2.0
   39    44    50    65   0.33950  1.0 3.0
   40    39    44    45   0.23400  1.0 3.0
   40    39    44    48  -0.09450  1.0 1.0
   40    39    44    48  -1.12950 -1.0 2.0
   40    39    44    48   0.54000  1.0 3.0
   40    39    44    50   1.11900  1.0 1.0
   40    39    44    50  -1.16350 -1.0 2.0
   40    39    44    50  -0.34150  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48  -0.11250  1.0 3.0
   41    39    44    50   0.23400  1.0 3.0
   44    48    53    56   2.26350  1.0 1.0
   44    48    53    56   0.76750 -1.0 2.0
   44    48    53    56   0.22500  1.0 3.0
   44    48   -53    65   2.26350  1.0 1.0
   44    48   -53    65   0.76750 -1.0 2.0
   44    48   -53    65   0.22500  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    53   0.00000  1.0 1.0
   45    44    50    65   0.08050  1.0 3.0
   48    44   -50    65  -0.25600  1.0 1.0
   48    44   -50    65  -0.40050 -1.0 2.0
   48    44   -50    65   0.34700  1.0 3.0
   48    53    56    57   3.62500 -1.0 2.0
   48    53    56    58   3.62500 -1.0 2.0
   48    53    65    61   3.62500 -1.0 2.0
   48    53   -65    50   3.62500 -1.0 2.0
   49    48    53    56   1.05000 -1.0 2.0
   49    48    53    65   1.05000 -1.0 2.0
   53    56    58    59   3.62500 -1.0 2.0
   53    56    58    60   3.62500 -1.0 2.0
   53    65   -50    44   1.63200 -1.0 2.0
   56    53    65    61   3.62500 -1.0 2.0
   56    53    65    50   3.62500 -1.0 2.0
   56    58   -60    61   3.62500 -1.0 2.0
   56    58    60    63   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    65   3.62500 -1.0 2.0
   58    60    63    64   0.84100 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    63   3.62500 -1.0 2.0
   60    61   -65    53   3.62500 -1.0 2.0
   60    61    65    50   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65    50    44   1.63200 -1.0 2.0
   62    61    65    53   3.62500 -1.0 2.0
   62    61    65    50   3.62500 -1.0 2.0
   65    53    56    57   3.62500 -1.0 2.0
   65    53   -56    58   3.62500 -1.0 2.0
   50    44    48    49   0.30150 -1.0 2.0
   50    44   -48    53   0.65300  1.0 1.0
   50    44   -48    53  -0.03850 -1.0 2.0
   50    44   -48    53   0.33900  1.0 3.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    51    46    47  10.50000 -1.0 2.0
   46    52    51    54   1.10000 -1.0 2.0
   33    55    54    51   1.10000 -1.0 2.0
   44    53    48    49  10.50000 -1.0 2.0
   56    65    53    48   4.00000 -1.0 2.0
   58    57    56    53   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   61    63    60    58   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   61    50    65    53   4.00000 -1.0 2.0
END
