* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    132    210     386
    1     0 S   NP   _N1_     1    28.80513    96.01786   -23.51128
    2     1 S   H    _HN1     2     1.02834    36.77690   171.86530
    3     1 S   H    _H1_     3     1.02780   106.66814   -90.37244
    4     1 S   H    _H2_     4     1.02957    72.89045    14.17255
    5     1 S   CT   _CA1     5     1.50164   136.80781   115.96316
    6     5 S   HC   _HA1     6     1.09579   105.17232    91.28380
    7     5 S   CO3  _C1_     7     1.53741   112.25678   -28.81159
    8     7 S   O2Z  _O11     8     1.26365   114.98780   -45.55073
    9     7 S   O2Z  _O12     9     1.26222   114.89351   133.26626
   10     5 S   CT   _CB1    10     1.53063   107.37543  -150.91967
   11    10 S   HC   HB11    11     1.09838   109.18133   -50.58723
   12    10 S   HC   HB12    12     1.09814   110.48668    65.89133
   13    10 S   CT   _CG1    13     1.53075   112.80405  -171.64281
   14    13 S   HC   HG11    14     1.09585   110.58095   -66.82771
   15    13 S   HC   HG12    15     1.09661   109.87007    52.45551
   16    13 S   C    _CD1    16     1.51872   112.04939   172.70779
   17    16 S   O    _OE1    17     1.22765   123.14293     4.92096
   18    16 S   N    _N2_    18     1.38614   111.91275  -174.70746
   19    18 S   H    _HN2    19     1.01626   119.11913     0.23573
   20    18 S   CT1  _CA2    20     1.46226   123.36613   178.13712
   21    20 S   HC   _HA2    21     1.09744   109.28337     5.99352
   22    20 S   C    _C2_    22     1.53625   109.15418  -109.66472
   23    22 S   O    _O2_    23     1.23087   122.04598  -147.20811
   24    20 S   CT   _CB2    32     1.53310   111.54365   127.81247
   25    24 S   HC   HB21    33     1.09400   109.84587    57.16948
   26    24 S   HC   HB22    34     1.09510   110.10964   175.81521
   27    22 S   N    _N3_    24     1.38452   113.86924    40.45754
   28    27 S   H    _HN3    25     1.01441   119.08796    -0.44893
   29    24 S   S    _SG2    35     1.82671   111.63972   -64.52323
   30    27 S   CT   _CA3    26     1.45443   123.34616   175.11200
   31    30 S   HC   HA31    27     1.09529   109.21625    26.22984
   32    30 S   HC   HA32    28     1.09499   107.16093   143.20170
   33    29 S   CT   _C20    36     1.83856    99.46351   178.41872
   34    33 S   HC   _H3_    37     1.09571   110.79948    24.30352
   35    30 S   CO3  _C3_    29     1.52905   112.98032   -97.22511
   36    35 S   O2Z  _O31    30     1.26414   115.31391   -47.90147
   37    35 S   O2Z  _O32    31     1.26342   115.05270   132.98550
   38    33 S   CM   _C18    38     1.50748   109.76174   -96.11788
   39    38 S   CMA  _C17    39     1.35186   124.99364  -107.04078
   40    39 S   OM   _O35    40     1.26113   132.29941  -177.90557
   41    38 S   CO3  _C19    74     1.54284   116.33872    77.26820
   42    41 S   O2Z  _O36    75     1.26616   114.67009    71.11408
   43    41 S   O2Z  _O37    76     1.26489   115.69568  -105.95607
   44    39 S   CM   _C16    41     1.46041   117.46280     1.42875
   45    44 S   HC   _H14    42     1.09011   118.66062   172.36622
   46    44 S   CM   _C15    43     1.33774   124.28028    -9.48531
   47    46 S   HC   _H13    44     1.08340   121.58906  -177.40392
   48    33 S   CHZ  _C14    45     1.53471   106.84015   141.38102
   49    48 S   NI   _N7_    46     1.30634   125.49644   -76.75575
   50    49 S   NE   _N6_    47     1.34616   118.09053     1.12117
   51    50 S   H    _H12    48     1.01263   121.58791    11.26526
   52    50 S   CA   _C11    49     1.40438   120.60567  -176.53525
   53    52 S   CA   _C10    50     1.40425   122.70753     3.59047
   54    53 S   HA   _H9_    51     1.08744   120.57462    -0.70388
   55    53 S   CA   _C9_    52     1.39714   121.03442   179.30959
   56    55 S   HA   _H8_    53     1.08579   119.24122  -179.93147
   57    55 S   CA   _C8_    54     1.39326   119.30563    -0.35608
   58    57 S   CA   _C13    55     1.39282   120.99598     0.16432
   59    58 S   HA   _H11    56     1.08570   121.51997  -179.74359
   60    57 S   SY   _S1_    59     1.79899   119.46881   179.45177
   61    60 S   OY   _O33    60     1.46101   102.93952  -149.51592
   62    60 S   OY   _O34    61     1.46108   102.90844   -30.81748
   63    52 S   CA   _C12    57     1.40548   118.97612  -177.64050
   64    63 S   HA   _H10    58     1.08813   120.11213     0.72199
   65    60 S   NM   _N5_    62     1.59249   105.44018    89.84485
   66    65 S   CA   _C7_    63     1.35236   119.75369  -179.15142
   67    66 S   CA   _C21    64     1.41291   118.93624  -178.92117
   68    67 S   HA   _H15    65     1.08885   120.22333     0.03956
   69    67 S   CA   _C4_    66     1.39400   120.99600  -180.00000
   70    69 S   HA   _H4_    67     1.08612   120.06383  -179.97202
   71    69 S   CA   _C5_    68     1.38544   119.64259     0.02798
   72    71 S   HA   _H5_    69     1.08463   120.78439   180.00000
   73    71 S   CA   _C6_    70     1.38296   118.47320     0.02798
   74    73 S   HA   _H6_    71     1.08200   123.49948   179.96044
   75    66 S   NAP  _N4_    72     1.35538   124.99791     1.15961
   76    75 S   H    _H7_    73     1.02017   118.17189     0.08156
  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   8   5   4   3
  13   6   2   1   1  10   9   4   4   1   1   5   3   4   2   4
   5   8   3   9   8   4   9   3   9   7   3   7   3   2   1   1
   7   9   8   4   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    48    49    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    48    49    50    41    42    43  
   38    39    46    48    49    41  
   36    37  
   37  
    0  
   39    40    44    45    46    48    49    41    42    43  
   40    44    45    46    47    48    41    42    43  
   44    45    46    41  
   42    43    44    48  
   43  
    0  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50  
   48    49  
   49    50    51    52  
   50    51    52    53    63  
   51    52    53    54    55    58    63    64  
   52    53    63  
   53    54    55    56    57    58    59    63    64  
   54    55    56    57    58    63    64    60  
   55    56    57    63  
   56    57    58    59    63    60    61    62    65  
   57    58    60  
   58    59    63    64    60    61    62    65    66  
   59    63    64    60    61    62    65  
   63    64    60  
   61    62    65    66    67    75    63  
   62    65    66  
   65    66  
   64  
    0  
   66    67    68    69    73    75    76  
   67    68    69    70    71    73    74    75    76  
   68    69    70    71    72    73    75    76  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76  
   73    74    75  
   74    75    76  
   75    76  
   76  
    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   0.155400   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.911500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   49   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   50   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   51   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   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   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   61   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   62   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.4200   0.1700  -0.917200   1.9310   1.7100   0.005000000   0.000000000
   66   3.5500   0.0700   0.437800   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.132600   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.182700   1.3810   1.2100   0.030040813   0.268726247
   75   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   76   0.0000   0.0000   0.368100   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    48   285.000  1.496
   38    39   465.000  1.376
   38    41   230.000  1.545
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   360.000  1.437
   48    49   645.000  1.280
   49    50   355.000  1.315
   50    51   434.000  1.010
   50    52   481.000  1.340
   52    53   469.000  1.400
   52    63   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   225.000  1.779
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   60    61   735.000  1.471
   60    62   735.000  1.471
   60    65   350.000  1.613
   65    66   515.000  1.335
   66    67   469.000  1.400
   66    75   485.000  1.342
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   485.000  1.342
   75    76   475.000  1.020
   41    42   656.000  1.250
   41    43   656.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    48    75.00000  114.43000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.04000
   33    48    46    55.00000  127.86000
   33    48    49    65.00000  122.16000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    85.00000  113.83300
   38    41    43    85.00000  113.83300
   39    44    45    40.00000  120.50800
   39    44    46    70.00000  117.34000
   44    39    40    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  117.49700
   46    44    45    35.00000  120.00000
   46    48    49    65.00000  123.49500
   48    33    34    45.00000  110.40700
   48    33    38    70.00000  110.51600
   48    46    47    35.00000  118.70300
   48    49    50    85.00000  114.46500
   49    50    51    50.00000  117.11400
   49    50    52    75.00000  120.05000
   50    52    53    70.00000  120.10000
   50    52    63    70.00000  120.10000
   52    50    51    35.00000  113.50000
   52    53    54    35.00000  120.00000
   52    53    55    63.00000  120.00000
   52    63    58    63.00000  120.00000
   52    63    64    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    65.00000  117.06700
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    63    63.00000  120.00000
   57    60    61   100.00000  107.67100
   57    60    62   100.00000  107.67100
   57    60    65   105.00000   98.50000
   58    63    64    35.00000  120.00000
   63    52    53    63.00000  120.00000
   63    58    59    35.00000  120.00000
   60    57    58    65.00000  117.06700
   60    65    66    75.00000  122.36500
   62    60    61   115.00000  120.17200
   65    60    61   105.00000  114.79700
   65    60    62   105.00000  114.79700
   65    66    67    65.00000  124.38400
   65    66    75    75.00000  123.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    75    73    70.00000  123.81700
   66    75    76    45.00000  117.56800
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  119.29800
   73    71    72    35.00000  120.00000
   73    75    76    45.00000  117.56800
   75    66    67    70.00000  119.29800
   75    73    74    45.00000  112.84900
   41    38    39    55.00000  124.75400
   43    41    42    80.00000  126.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    48    46   0.42700  1.0 1.0
   29    33    48    46  -0.70350 -1.0 2.0
   29    33    48    46  -0.43150  1.0 3.0
   29    33    48    49   0.00000  1.0 1.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    43  -0.64400  1.0 1.0
   33    38    41    43   0.26850 -1.0 2.0
   33    48    49    50   6.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    46   0.00000  1.0 1.0
   34    33    48    49   0.00000  1.0 1.0
   38    33    48    46  -0.28300  1.0 1.0
   38    33    48    46   0.26700 -1.0 2.0
   38    33    48    46  -0.63300  1.0 3.0
   38    33    48    49   0.00000  1.0 1.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    46   7.00000 -1.0 2.0
   39    38    41    42  -0.04000 -1.0 2.0
   39    38    41    42  -0.29050  1.0 3.0
   39    38    41    43  -0.04000 -1.0 2.0
   39    38    41    43  -0.29050  1.0 3.0
   39    44    46    47   7.00000 -1.0 2.0
   39    44    46    48   7.00000 -1.0 2.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.69550 -1.0 2.0
   44    46    48    49   1.09650  1.0 1.0
   44    46    48    49   0.48950 -1.0 2.0
   44    46    48    49   0.49400  1.0 3.0
   45    44    46    47   7.00000 -1.0 2.0
   45    44    46    48   7.00000 -1.0 2.0
   46    48    49    50   6.00000 -1.0 2.0
   47    46    48    33   0.00000  1.0 1.0
   47    46    48    49   1.00600 -1.0 2.0
   48    33   -38    39  -0.28300  1.0 1.0
   48    33   -38    39   0.26700 -1.0 2.0
   48    33   -38    39  -0.63300  1.0 3.0
   48    33    38    41   0.09700  1.0 1.0
   48    33    38    41   0.15600 -1.0 2.0
   48    33    38    41  -0.50800  1.0 3.0
   48    49    50    51   2.00000 -1.0 2.0
   48    49    50    52   2.00000 -1.0 2.0
   49    50    52    53   0.75000 -1.0 2.0
   49    50    52    63   0.75000 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    55   3.62500 -1.0 2.0
   50    52    63    58   3.62500 -1.0 2.0
   50    52    63    64   3.62500 -1.0 2.0
   51    50    52    53   1.00000 -1.0 2.0
   51    50    52    63   1.00000 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    57   3.62500 -1.0 2.0
   53    52    63    58   3.62500 -1.0 2.0
   53    52    63    64   3.62500 -1.0 2.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    63   3.62500 -1.0 2.0
   55    57    60    61   0.19500  1.0 1.0
   55    57    60    61   0.12000 -1.0 2.0
   55    57    60    62   0.19500  1.0 1.0
   55    57    60    62   0.12000 -1.0 2.0
   55    57    60    65  -0.49050  1.0 1.0
   55    57    60    65   0.22250 -1.0 2.0
   55    57    60    65  -0.39350  1.0 3.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   57    58   -63    52   3.62500 -1.0 2.0
   57    58    63    64   3.62500 -1.0 2.0
   57    60    65    66  -0.64500  1.0 1.0
   57    60    65    66  -1.19050 -1.0 2.0
   57    60    65    66  -0.04400  1.0 3.0
   58    57    60    61   0.19500  1.0 1.0
   58    57    60    61   0.12000 -1.0 2.0
   58    57    60    62   0.19500  1.0 1.0
   58    57    60    62   0.12000 -1.0 2.0
   58    57    60    65  -0.49050  1.0 1.0
   58    57    60    65   0.22250 -1.0 2.0
   58    57    60    65  -0.39350  1.0 3.0
   59    58    63    52   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   63    52    53    54   3.62500 -1.0 2.0
   63    52   -53    55   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    63   3.62500 -1.0 2.0
   60    65    66    67   1.50000 -1.0 2.0
   60    65    66    75   1.50000 -1.0 2.0
   61    60    65    66  -0.23550  1.0 1.0
   61    60    65    66   0.77000 -1.0 2.0
   61    60    65    66   0.47650  1.0 3.0
   62    60    65    66  -0.23550  1.0 1.0
   62    60    65    66   0.77000 -1.0 2.0
   62    60    65    66   0.47650  1.0 3.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    69   3.62500 -1.0 2.0
   65    66    75    73   3.62500 -1.0 2.0
   65    66    75    76   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    75    73   3.62500 -1.0 2.0
   67    66    75    76   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    66   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   74    73    75    66   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    66    67    68   3.62500 -1.0 2.0
   75    66   -67    69   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   33    46    48    49  10.50000 -1.0 2.0
   51    52    50    49   1.00000 -1.0 2.0
   53    63    52    50   4.00000 -1.0 2.0
   55    54    53    52   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   63    59    58    57   1.10000 -1.0 2.0
   58    64    63    52   1.10000 -1.0 2.0
   67    75    66    65   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    66    75    73   1.00000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
