* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    217     387
    1     0 S   NP   _N1_     1    28.95690    98.96532   -23.14408
    2     1 S   H    _HN1     2     1.02835    57.20027  -178.58224
    3     1 S   H    _H1_     3     1.02777    92.68811   -68.91380
    4     1 S   H    _H2_     4     1.02936    59.96890    40.83850
    5     1 S   CT   _CA1     5     1.50229   154.96292   114.24621
    6     5 S   HC   _HA1     6     1.09609   104.90549   114.98105
    7     5 S   CO3  _C1_     7     1.53714   112.88130    -4.14406
    8     7 S   O2Z  _O11     8     1.26430   115.26232   -30.41576
    9     7 S   O2Z  _O12     9     1.26254   114.92419   148.42471
   10     5 S   CT   _CB1    10     1.53184   107.32724  -127.68405
   11    10 S   HC   HB11    11     1.09799   108.57876   -51.93762
   12    10 S   HC   HB12    12     1.09799   110.45582    64.26101
   13    10 S   CT   _CG1    13     1.53099   113.15158  -173.44773
   14    13 S   HC   HG11    14     1.09629   110.22012   -75.59049
   15    13 S   HC   HG12    15     1.09695   109.94697    43.43319
   16    13 S   C    _CD1    16     1.52017   112.84477   163.10744
   17    16 S   O    _OE1    17     1.22736   123.39382    -2.06640
   18    16 S   N    _N2_    18     1.38525   111.61115   179.17909
   19    18 S   H    _HN2    19     1.01613   118.82161    -0.25334
   20    18 S   CT1  _CA2    20     1.45927   123.29569   172.77059
   21    20 S   HC   _HA2    21     1.09712   109.18120    22.33867
   22    20 S   C    _C2_    22     1.52965   106.65856   -94.43489
   23    22 S   O    _O2_    23     1.22982   123.10043   -27.04895
   24    20 S   CT   _CB2    32     1.53178   111.88723   146.26938
   25    24 S   HC   HB21    33     1.09484   109.66597    47.96935
   26    24 S   HC   HB22    34     1.09519   110.78559   166.45376
   27    22 S   N    _N3_    24     1.38516   112.54159   155.70238
   28    27 S   H    _HN3    25     1.01659   120.32910    -2.03192
   29    24 S   S    _SG2    35     1.82816   110.63574   -74.80084
   30    27 S   CT   _CA3    26     1.45352   122.47855   178.61945
   31    30 S   HC   HA31    27     1.09568   107.80402   -55.91780
   32    30 S   HC   HA32    28     1.09564   107.61175    60.40967
   33    29 S   CT   _C21    36     1.84599   101.99283   144.40357
   34    33 S   OM   _O37    37     1.31812   107.65959   176.85440
   35    30 S   CO3  _C3_    29     1.52889   114.34047  -177.81305
   36    35 S   O2Z  _O31    30     1.26335   116.06710     0.24066
   37    35 S   O2Z  _O32    31     1.26439   114.40849  -179.79729
   38    33 S   CO4  _C20    38     1.52617   110.76327   -65.86154
   39    38 S   O    _O35    39     1.23352   123.25441    -9.12501
   40    33 S   CT   _C22    50     1.52707   111.51173    56.17673
   41    40 S   HC   _H6_    51     1.09965   111.43729    67.52761
   42    40 S   HC   _H7_    52     1.09664   112.13183   -52.68433
   43    38 S   CM   _C19    40     1.50803   118.06811   169.12750
   44    43 S   CM   _C14    41     1.47503   120.14635   162.50996
   45    44 S   CO4  _C15    42     1.50303   113.20967   139.97278
   46    45 S   O    _O39    43     1.22282   124.71807  -136.98663
   47    44 S   CM   _C12    55     1.35372   127.21292   -41.16436
   48    45 S   CM   _C16    44     1.48182   113.64561    42.17674
   49    48 S   HC   _H5_    45     1.08293   118.31119   155.90142
   50    47 S   CO4  _C13    56     1.49408   123.86013   178.63570
   51    50 S   O    _O34    57     1.22353   123.26130    40.62273
   52    48 S   CM   _C17    46     1.34033   118.91596   -24.47293
   53    50 S   CA   _C8_    58     1.48536   115.75254  -141.82029
   54    43 S   CM   _C18    47     1.35268   119.81589   -25.28544
   55    52 S   OH   _O38    53     1.38216   118.98778   178.52674
   56    55 S   HO   _H8_    54     0.97345   109.04768   177.68776
   57    53 S   CA   _C9_    59     1.40344   120.36341   -18.50328
   58    54 S   CO4  _C23    48     1.50411   120.51245     6.04928
   59    58 S   O    _O36    49     1.23247   120.74076   173.10505
   60    57 S   CA   _C4_    60     1.39845   120.56612   177.96972
   61    60 S   HA   _H3_    61     1.08684   120.67428  -179.70261
   62    57 S   CO4  _C10    70     1.47530   121.08047    -2.99107
   63    62 S   O    _O33    71     1.22085   123.17282  -178.31774
   64    60 S   CA   _C5_    62     1.39200   119.50412    -0.23903
   65    47 S   CO4  _C11    72     1.48324   121.41550    -4.85498
   66    65 S   O    _O40    73     1.21859   125.16505   -43.67897
   67    64 S   CA   _C6_    63     1.39057   120.83739     1.60132
   68    67 S   HA   _H4_    64     1.08672   120.16028   179.60883
   69    64 S   OH   _O42    68     1.36664   120.66091  -177.78548
   70    69 S   HO   _H10    69     0.97520   108.12088    13.87550
   71    53 S   CA   _C7_    65     1.40388   120.76779   160.65869
   72    71 S   OH   _O41    66     1.36941   123.28402     1.05276
   73    72 S   HO   _H9_    67     0.97383   109.12232     3.02200
  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   9   5   4   3
  11   7   2   1   1  11   4   7   4   3  12  14   9   4  11   6
   3  10   4   5  12   4   2   1  11   1   1  10   4   5   2   6
   1   1   6   3   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    58    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    54    58    59    40    41    42  
   38    39    43    58    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    52    54    58    40    41    42    47  
   43    44    54    40  
   41    42    43    52    54    58    59  
   42    54    58    59  
   54    58    59  
   44    45    46    48    52    54    58    59    55    47    50    65  
   45    46    48    49    52    54    58    47    50    51    53    62    65    66  
   46    48    49    52    54    55    47    50    65  
   48    49    52    47  
   50    51    53    57    71    62    63    65    66    48    54  
   49    52    54    58    55    56  
   52    54    55  
   51    53    57    60    67    71    72    62    65    66  
   53    57    71    65  
   54    58    59    55    56  
   57    60    61    64    67    68    71    72    73    62    63    65  
   58    59    55    56  
   56    58  
    0  
   60    61    64    67    71    72    69    62    63    65    66  
   59  
    0  
   61    64    67    68    71    69    70    62    63    65  
   64    67    69    62  
   63    65    66    64    71  
   65    66  
   67    68    71    72    69    70  
   66  
    0  
   68    71    72    73    69    70  
   71    72    69  
   70    71  
    0  
   72    73  
   73  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   320.000  1.462
   43    44   380.000  1.444
   43    54   549.000  1.340
   44    45   320.000  1.462
   44    47   549.000  1.340
   45    46   570.000  1.229
   45    48   320.000  1.462
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    54   380.000  1.444
   52    55   510.000  1.338
   54    58   320.000  1.462
   58    59   570.000  1.229
   58    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   55    56   553.000  0.945
   47    50   320.000  1.462
   47    65   320.000  1.462
   50    51   570.000  1.229
   50    53   310.000  1.470
   53    57   469.000  1.400
   53    71   469.000  1.400
   57    60   469.000  1.400
   57    62   310.000  1.470
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    69   450.000  1.364
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   69    70   553.000  0.945
   62    63   570.000  1.229
   62    65   250.000  1.523
   65    66   570.000  1.229
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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  118.62400
   33    40    58    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    90.00000  108.74100
   38    43    44    65.00000  118.96000
   38    43    54    65.00000  118.96000
   43    38    39    80.00000  123.72100
   43    44    45    65.00000  118.96000
   43    44    47    70.00000  123.01800
   43    54    52    70.00000  123.01800
   43    54    58    65.00000  118.96000
   44    45    46    80.00000  123.72100
   44    45    48    65.00000  118.65900
   44    47    50    65.00000  118.96000
   44    47    65    65.00000  118.96000
   45    48    49    40.00000  117.72500
   45    48    52    65.00000  118.96000
   48    45    46    80.00000  123.72100
   48    52    54    70.00000  123.01800
   48    52    55    80.00000  121.38400
   52    48    49    35.00000  120.00000
   52    54    58    65.00000  118.96000
   52    55    56    70.00000  107.45700
   54    43    44    70.00000  123.01800
   54    58    59    80.00000  123.72100
   54    58    40    65.00000  118.62400
   58    40    41    35.00000  109.50000
   58    40    42    35.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    58    59    80.00000  120.40000
   42    40    41    33.00000  107.80000
   55    52    54    80.00000  121.38400
   47    44    45    65.00000  118.96000
   47    50    51    80.00000  123.72100
   47    50    53    65.00000  117.02400
   47    65    62    65.00000  116.00000
   47    65    66    80.00000  123.72100
   50    53    57    60.00000  119.52600
   50    53    71    60.00000  119.52600
   53    50    51    75.00000  123.78400
   53    57    60    63.00000  120.00000
   53    57    62    60.00000  119.52600
   53    71    67    63.00000  120.00000
   53    71    72    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    64    63.00000  120.00000
   57    62    63    75.00000  123.78400
   57    62    65    60.00000  117.28700
   60    64    67    63.00000  120.00000
   60    64    69    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   64    69    70    35.00000  113.00000
   67    71    72    70.00000  120.00000
   71    53    57    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  113.00000
   69    64    67    70.00000  120.00000
   62    57    60    60.00000  119.52600
   62    65    66    80.00000  119.30300
   65    47    50    65.00000  115.30000
   65    62    63    80.00000  119.30300
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    58   0.56750  1.0 1.0
   29    33    40    58  -0.07550 -1.0 2.0
   29    33    40    58   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44  -0.33500  1.0 1.0
   33    38    43    44   1.06600 -1.0 2.0
   33    38    43    44  -0.14000  1.0 3.0
   33    38    43    54  -0.33500  1.0 1.0
   33    38    43    54   1.06600 -1.0 2.0
   33    38    43    54  -0.14000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    43   0.65300  1.0 1.0
   34    33    38    43  -0.03850 -1.0 2.0
   34    33    38    43   0.33900  1.0 3.0
   34    33    40    58  -0.09450  1.0 1.0
   34    33    40    58  -1.12950 -1.0 2.0
   34    33    40    58   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   38    33    40    58   0.11950  1.0 1.0
   38    33    40    58   0.20300 -1.0 2.0
   38    33    40    58  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45   1.08500 -1.0 2.0
   38    43    44    47  -0.18600  1.0 3.0
   38    43    54    52   7.00000 -1.0 2.0
   38    43   -54    58   7.00000 -1.0 2.0
   39    38    43    44   1.00000 -1.0 2.0
   39    38    43    54   1.00000 -1.0 2.0
   43    44    45    46   1.00000 -1.0 2.0
   43    44    45    48  -1.18350  1.0 1.0
   43    44    45    48   1.45950 -1.0 2.0
   43    44    47    50   7.00000 -1.0 2.0
   43    44    47    65   7.00000 -1.0 2.0
   43    54    58    59   1.00000 -1.0 2.0
   43    54    58    40  -0.33500  1.0 1.0
   43    54    58    40   1.06600 -1.0 2.0
   43    54    58    40  -0.14000  1.0 3.0
   44    43    54    52   7.00000 -1.0 2.0
   44    43    54    58   7.00000 -1.0 2.0
   44    45    48    49   0.93700 -1.0 2.0
   44    45   -48    52  -1.18350  1.0 1.0
   44    45   -48    52   1.45950 -1.0 2.0
   44    47    50    51   1.00000 -1.0 2.0
   44    47    50    53  -1.65800  1.0 1.0
   44    47    50    53   0.77650 -1.0 2.0
   44    47    65    62   0.50400  1.0 1.0
   44    47    65    62   1.60000 -1.0 2.0
   44    47    65    62  -0.01800  1.0 3.0
   44    47    65    66   1.00000 -1.0 2.0
   45    44    47    50   7.00000 -1.0 2.0
   45    44    47    65   7.00000 -1.0 2.0
   45    48    52    54   7.00000 -1.0 2.0
   45    48    52    55   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    52   1.00000 -1.0 2.0
   48    52   -54    43   0.28850  1.0 1.0
   48    52   -54    43   2.61350 -1.0 2.0
   48    52   -54    43   0.78400  1.0 3.0
   48    52    54    58  -0.18600  1.0 3.0
   48    52    55    56  -0.66100  1.0 1.0
   48    52    55    56   1.20850 -1.0 2.0
   48    52    55    56  -0.36000  1.0 3.0
   49    48    52    54   7.00000 -1.0 2.0
   49    48    52    55   7.00000 -1.0 2.0
   52    54    58    59   1.00000 -1.0 2.0
   52    54    58    40  -0.33500  1.0 1.0
   52    54    58    40   1.06600 -1.0 2.0
   52    54    58    40  -0.14000  1.0 3.0
   54    43   -44    45  -0.18600  1.0 3.0
   54    43    44    47   0.28850  1.0 1.0
   54    43    44    47   2.61350 -1.0 2.0
   54    43    44    47   0.78400  1.0 3.0
   54    52    55    56  -0.66100  1.0 1.0
   54    52    55    56   1.20850 -1.0 2.0
   54    52    55    56  -0.36000  1.0 3.0
   54    58   -40    33   0.65300  1.0 1.0
   54    58   -40    33  -0.03850 -1.0 2.0
   54    58   -40    33   0.33900  1.0 3.0
   54    58    40    41   0.00000  1.0 1.0
   54    58    40    42   0.00000  1.0 1.0
   59    58    40    33   0.30150 -1.0 2.0
   59    58    40    41   0.00000  1.0 1.0
   59    58    40    42   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.65300  1.0 1.0
   40    33   -38    43  -0.03850 -1.0 2.0
   40    33   -38    43   0.33900  1.0 3.0
   55    52    54    43   0.50950  1.0 1.0
   55    52    54    43   0.56650 -1.0 2.0
   55    52    54    43   0.34050  1.0 3.0
   55    52    54    58   1.08500 -1.0 2.0
   47    44    45    46   1.00000 -1.0 2.0
   47    44    45    48  -1.18350  1.0 1.0
   47    44    45    48   1.45950 -1.0 2.0
   47    50    53    57  -0.11500  1.0 1.0
   47    50    53    57   1.10450 -1.0 2.0
   47    50    53    57  -0.48050  1.0 3.0
   47    50    53    71  -0.11500  1.0 1.0
   47    50    53    71   1.10450 -1.0 2.0
   47    50    53    71  -0.48050  1.0 3.0
   50    47    65    62   1.50000 -1.0 2.0
   50    47    65    66   2.50000 -1.0 2.0
   50    53    57    60   3.62500 -1.0 2.0
   50    53   -57    62   3.62500 -1.0 2.0
   50    53    71    67   3.62500 -1.0 2.0
   50    53    71    72   3.62500 -1.0 2.0
   51    50    53    57   1.05000 -1.0 2.0
   51    50    53    71   1.05000 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    60    64   3.62500 -1.0 2.0
   53    57    62    63   1.05000 -1.0 2.0
   53    57    62    65   0.56600 -1.0 2.0
   53    71    72    73   0.84100 -1.0 2.0
   57    53    71    67   3.62500 -1.0 2.0
   57    53    71    72   3.62500 -1.0 2.0
   57    60   -64    67   3.62500 -1.0 2.0
   57    60    64    69   3.62500 -1.0 2.0
   57    62   -65    47   0.43900  1.0 1.0
   57    62   -65    47  -0.18150 -1.0 2.0
   57    62   -65    47  -0.03650  1.0 3.0
   57    62    65    66   0.03000  1.0 1.0
   57    62    65    66   0.58800 -1.0 2.0
   57    62    65    66   0.15550  1.0 3.0
   60    57    62    63   1.05000 -1.0 2.0
   60    57    62    65   0.56600 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   60    64    67    71   3.62500 -1.0 2.0
   60    64    69    70   0.84100 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    67   -71    53   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   67    64    69    70   0.84100 -1.0 2.0
   67    71    72    73   0.84100 -1.0 2.0
   68    67    71    53   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    53   -57    60   3.62500 -1.0 2.0
   71    53    57    62   3.62500 -1.0 2.0
   69    64    67    68   3.62500 -1.0 2.0
   69    64    67    71   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    64   3.62500 -1.0 2.0
   63    62    65    47   0.03000  1.0 1.0
   63    62    65    47   0.58800 -1.0 2.0
   63    62    65    47   0.15550  1.0 3.0
   63    62    65    66   0.06100 -1.0 2.0
   65    47    50    51   2.50000 -1.0 2.0
   65    47   -50    53   1.50000 -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    43    38    39  10.50000 -1.0 2.0
   38    44    43    54   1.10000 -1.0 2.0
   43    45    44    47   1.10000 -1.0 2.0
   44    48    45    46  10.50000 -1.0 2.0
   45    49    48    52   1.10000 -1.0 2.0
   54    55    52    48   1.10000 -1.0 2.0
   52    58    54    43   1.10000 -1.0 2.0
   54    40    58    59  10.50000 -1.0 2.0
   50    65    47    44   1.10000 -1.0 2.0
   47    53    50    51  10.50000 -1.0 2.0
   57    71    53    50   4.00000 -1.0 2.0
   60    62    57    53   4.00000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   67    69    64    60   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   67    72    71    53   4.00000 -1.0 2.0
   57    65    62    63  10.50000 -1.0 2.0
   47    62    65    66  10.50000 -1.0 2.0
END
