* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    132    209     394
    1     0 S   NP   _N1_     1    29.75390    93.06294   -17.36333
    2     1 S   H    _HN1     2     1.03098   128.22240    89.69427
    3     1 S   H    _H1_     3     1.02824    21.72789   101.46101
    4     1 S   H    _H2_     4     1.02761    94.56990   -27.74484
    5     1 S   CT   _CA1     5     1.50034   101.90539  -141.73453
    6     5 S   HC   _HA1     6     1.09574   105.13521    38.23839
    7     5 S   CO3  _C1_     7     1.53781   112.54485   -81.98678
    8     7 S   O2Z  _O11     8     1.26345   115.08298   -44.39213
    9     7 S   O2Z  _O12     9     1.26242   114.90152   134.81124
   10     5 S   CT   _CB1    10     1.53088   107.64321   156.18295
   11    10 S   HC   HB11    11     1.09833   109.57919   -49.35500
   12    10 S   HC   HB12    12     1.09748   110.47181    67.09575
   13    10 S   CT   _CG1    13     1.53041   112.44733  -170.38031
   14    13 S   HC   HG11    14     1.09571   111.15196   -66.63904
   15    13 S   HC   HG12    15     1.09613   110.69145    52.51587
   16    13 S   C    _CD1    16     1.51373   110.44216   172.04325
   17    16 S   O    _OE1    17     1.22855   121.72025   -97.76943
   18    16 S   N    _N2_    18     1.38311   112.99215    80.71158
   19    18 S   H    _HN2    19     1.01602   119.16130     5.82349
   20    18 S   CT1  _CA2    20     1.46031   122.78520  -178.81007
   21    20 S   HC   _HA2    21     1.09661   109.87679    19.90439
   22    20 S   C    _C2_    22     1.52660   104.75566   -97.92514
   23    22 S   O    _O2_    23     1.22987   122.30365   -80.24772
   24    20 S   CT   _CB2    32     1.53311   111.44723   142.61207
   25    24 S   HC   HB21    33     1.09219   109.84844    56.41944
   26    24 S   HC   HB22    34     1.09512   109.87911   174.90745
   27    22 S   N    _N3_    24     1.38508   112.87189    95.29602
   28    27 S   H    _HN3    25     1.01538   119.68120     3.95111
   29    24 S   S    _SG2    35     1.82932   110.09917   -65.58894
   30    27 S   CT   _CA3    26     1.45466   123.00483  -179.54630
   31    30 S   HC   HA31    27     1.09533   109.09922    28.20200
   32    30 S   HC   HA32    28     1.09495   107.16484   145.15834
   33    29 S   CT   _C15    36     1.88426   102.65282   158.70726
   34    30 S   CO3  _C3_    29     1.52932   113.28094   -95.15474
   35    34 S   O2Z  _O31    30     1.26388   115.47939   -43.24015
   36    34 S   O2Z  _O32    31     1.26370   114.93771   137.69955
   37    33 S   CT   _C14    37     1.54802   105.99391   173.90893
   38    37 S   HC   _H12    38     1.09770   110.01552   -51.51968
   39    37 S   HC   _H13    39     1.09752   109.98062  -168.49701
   40    33 S   CT   _C6_    51     1.55633   109.45469   -68.92529
   41    40 S   HC   _H3_    52     1.09613   109.04887    55.14232
   42    33 S   CT   _C16    61     1.56258   110.26006    53.27830
   43    42 S   HC   _H14    62     1.09720   108.50690   -66.91764
   44    42 S   HC   _H15    63     1.09843   108.06411   178.62755
   45    37 S   CA   _C9_    40     1.51228   114.62405    70.55726
   46    40 S   CO4  _C5_    53     1.53177   113.75058   172.80884
   47    46 S   O    _O33    54     1.23078   122.20973    72.12308
   48    42 S   CT   _C17    64     1.54214   117.99797    57.55951
   49    48 S   HC   _H4_    65     1.09379   111.28991   -47.67695
   50    45 S   CA   _C10    41     1.40522   118.19516  -159.87785
   51    50 S   HA   _H8_    42     1.08796   120.16157    -0.09487
   52    46 S   CT   _C4_    55     1.50778   116.89778  -109.51823
   53    52 S   HC   _H5_    56     1.09220   110.02211    56.28266
   54    52 S   HC   _H6_    57     1.09274   109.42904   -64.86822
   55    52 S   HC   _H7_    58     1.09353   109.63494   175.64553
   56    48 S   CT   _C18    66     1.53161   110.38536  -169.85348
   57    56 S   HC   _H16    67     1.09737   109.91199   -67.22817
   58    56 S   HC   _H17    68     1.09713   109.56740    51.28902
   59    48 S   OH   _O38    72     1.42692   108.69075    71.35846
   60    59 S   HO   _H18    73     0.97527   106.60563  -179.49487
   61    50 S   CA   _C11    43     1.39358   120.87565   179.50032
   62    61 S   HA   _H9_    44     1.08621   120.01816  -179.66839
   63    56 S   CO3  _C19    69     1.53379   115.21683   172.15610
   64    63 S   O2Z  _O37    70     1.26453   114.21233  -167.27496
   65    63 S   O2Z  _O36    71     1.26215   116.37455    13.41878
   66    61 S   CA   _C12    45     1.39067   119.87382     0.25793
   67    66 S   HA   _H10    46     1.08667   119.64778  -179.90935
   68    66 S   CA   _C13    47     1.39499   119.91404     0.51851
   69    45 S   CA   _C8_    48     1.40425   122.65843    21.03298
   70    68 S   OH   _O35    59     1.36924   115.69832   179.90109
   71    70 S   HO   _H11    60     0.97578   109.34121  -178.74103
   72    69 S   CO4  _C7_    49     1.48668   119.23718     0.84186
   73    72 S   O    _O34    50     1.22865   120.40846  -176.97295
  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  13   5   4   3
  20   2   1   1  16   6   5  16   7  13   5   4  10   8   5   9
   6   8   4   4   2   1   1   7   5   4   2   1   6   3   2   1
   1   6   3   5   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    72    40    41    46    42    43    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    50    69    72    73    40    41    46    47    52    42    43    44    48    49    56    59  
   35    36  
   36  
    0  
   38    39    45    50    51    61    68    69    72    40    41    46    42    43    44    48  
   39    45    50    69    40    42  
   45    50    69    40    42  
   41    46    47    52    53    54    55    42    43    44    48    45    68    69    72    73  
   46    47    52    42    69    72    73  
   43    44    48    49    56    57    58    63    59    60    45    46    72  
   44    48    49    56    59  
   48    49    56    59  
   50    51    61    62    66    68    69    72    73    70  
   47    52    53    54    55    69    72    73  
   52    53    54    55    72  
   49    56    57    58    63    64    65    59    60  
   56    57    58    63    59    60  
   51    61    62    66    67    68    69    72  
   61    62    66    69  
   53    54    55    72  
   54    55  
   55  
    0  
   57    58    63    64    65    59    60  
   58    63    64    65    59  
   63    64    65    59  
   60    63  
    0  
   62    66    67    68    69    70  
   66    67    68  
   64    65  
   65  
    0  
   67    68    69    72    70    71  
   68    69    70  
   69    72    73    70    71  
   72    73    70    71  
   71    72  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   317.000  1.510
   45    50   469.000  1.400
   45    69   469.000  1.400
   50    51   367.000  1.080
   50    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    72   310.000  1.470
   72    73   570.000  1.229
   72    40   317.000  1.522
   40    41   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   70    71   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    56   268.000  1.529
   48    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
   59    60   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    70.00000  112.17500
   33    40    72    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    46    63.00000  111.10000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    48    58.35000  112.70000
   37    45    50    70.00000  120.00000
   37    45    69    70.00000  120.00000
   39    37    38    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    39    35.00000  109.50000
   45    50    51    35.00000  120.00000
   45    50    61    63.00000  120.00000
   45    69    68    63.00000  120.00000
   45    69    72    60.00000  119.52600
   50    61    62    35.00000  120.00000
   50    61    66    63.00000  120.00000
   61    50    51    35.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    68    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    70    70.00000  120.00000
   68    66    67    35.00000  120.00000
   68    69    72    60.00000  119.52600
   68    70    71    35.00000  113.00000
   69    45    50    63.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    40    65.00000  115.47100
   72    40    41    35.00000  109.50000
   72    40    46    75.00000  107.99600
   40    33    37    58.35000  112.70000
   40    72    73    80.00000  120.40000
   40    46    47    80.00000  120.40000
   40    46    52    70.00000  116.00000
   46    40    41    35.00000  109.50000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   52    46    47    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   70    68    69    70.00000  120.00000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    48    49    37.50000  110.70000
   42    48    56    58.35000  112.70000
   42    48    59    50.00000  109.50000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    63    70.00000  109.69300
   48    59    60    55.00000  108.50000
   56    48    49    37.50000  110.70000
   56    63    64    70.00000  117.00000
   56    63    65    70.00000  117.00000
   58    56    57    33.00000  107.80000
   63    56    57    35.00000  109.50000
   63    56    58    35.00000  109.50000
   65    63    64    80.00000  126.00000
   59    48    49    35.00000  109.50000
   59    48    56    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    40    72   0.56750  1.0 1.0
   29    33    40    72  -0.07550 -1.0 2.0
   29    33    40    72   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    48   0.44750  1.0 1.0
   29    33    42    48  -0.17800 -1.0 2.0
   29    33    42    48   0.20200  1.0 3.0
   33    37    45    50   0.04150 -1.0 2.0
   33    37    45    69   0.04150 -1.0 2.0
   33    40    46    47   0.30150 -1.0 2.0
   33    40    46    52   0.60050  1.0 1.0
   33    40    46    52   0.05600 -1.0 2.0
   33    40    46    52   0.26150  1.0 3.0
   33    42    48    49   0.15000  1.0 3.0
   33    42    48    56   0.56750  1.0 1.0
   33    42    48    56  -0.07550 -1.0 2.0
   33    42    48    56   0.20000  1.0 3.0
   33    42    48    59   0.86500  1.0 1.0
   33    42    48    59  -0.17500 -1.0 2.0
   33    42    48    59   0.20800  1.0 3.0
   37    33    40    72  -0.95700  1.0 1.0
   37    33    40    72  -0.18200 -1.0 2.0
   37    33    40    72   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46  -0.95700  1.0 1.0
   37    33    40    46  -0.18200 -1.0 2.0
   37    33    40    46   0.29450  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    48   0.56750  1.0 1.0
   37    33    42    48  -0.07550 -1.0 2.0
   37    33    42    48   0.20000  1.0 3.0
   37    45    50    51   3.62500 -1.0 2.0
   37    45    50    61   3.62500 -1.0 2.0
   37    45    69    68   3.62500 -1.0 2.0
   37    45   -69    72   3.62500 -1.0 2.0
   38    37    45    50   0.00000  1.0 1.0
   38    37    45    69   0.00000  1.0 1.0
   39    37    45    50   0.00000  1.0 1.0
   39    37    45    69   0.00000  1.0 1.0
   45    50    61    62   3.62500 -1.0 2.0
   45    50    61    66   3.62500 -1.0 2.0
   45    69    72    73   1.05000 -1.0 2.0
   45    69    72    40   2.26350  1.0 1.0
   45    69    72    40   0.76750 -1.0 2.0
   45    69    72    40   0.22500  1.0 3.0
   50    45    69    68   3.62500 -1.0 2.0
   50    45    69    72   3.62500 -1.0 2.0
   50    61    66    67   3.62500 -1.0 2.0
   50    61   -66    68   3.62500 -1.0 2.0
   51    50    61    62   3.62500 -1.0 2.0
   51    50    61    66   3.62500 -1.0 2.0
   61    66    68    69   3.62500 -1.0 2.0
   61    66    68    70   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    68   3.62500 -1.0 2.0
   66    68   -69    45   3.62500 -1.0 2.0
   66    68    69    72   3.62500 -1.0 2.0
   66    68    70    71   0.84100 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    69    72    73   1.05000 -1.0 2.0
   68    69    72    40   2.26350  1.0 1.0
   68    69    72    40   0.76750 -1.0 2.0
   68    69    72    40   0.22500  1.0 3.0
   69    45    50    51   3.62500 -1.0 2.0
   69    45   -50    61   3.62500 -1.0 2.0
   69    68    70    71   0.84100 -1.0 2.0
   69    72   -40    33   0.05850 -1.0 2.0
   69    72   -40    33   0.17250  1.0 3.0
   69    72    40    41   0.00000  1.0 1.0
   69    72    40    46   0.65300  1.0 1.0
   69    72    40    46  -0.03850 -1.0 2.0
   69    72    40    46   0.33900  1.0 3.0
   72    40    46    47   0.30150 -1.0 2.0
   72    40    46    52   0.65300  1.0 1.0
   72    40    46    52  -0.03850 -1.0 2.0
   72    40    46    52   0.33900  1.0 3.0
   73    72    40    33   0.30150 -1.0 2.0
   73    72    40    41   0.00000  1.0 1.0
   73    72    40    46   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    45  -0.03700  1.0 1.0
   40    33   -37    45   0.37200 -1.0 2.0
   40    33   -37    45  -0.47300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    48   0.56750  1.0 1.0
   40    33    42    48  -0.07550 -1.0 2.0
   40    33    42    48   0.20000  1.0 3.0
   40    46    52    53   0.00000  1.0 1.0
   40    46    52    54   0.00000  1.0 1.0
   40    46    52    55   0.00000  1.0 1.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    52   0.00000  1.0 1.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.00000  1.0 1.0
   47    46    52    55   0.00000  1.0 1.0
   70    68    69    45   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45  -0.03700  1.0 1.0
   42    33    37    45   0.37200 -1.0 2.0
   42    33    37    45  -0.47300  1.0 3.0
   42    33    40    72  -0.95700  1.0 1.0
   42    33    40    72  -0.18200 -1.0 2.0
   42    33    40    72   0.29450  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46  -0.95700  1.0 1.0
   42    33    40    46  -0.18200 -1.0 2.0
   42    33    40    46   0.29450  1.0 3.0
   42    48    56    57   0.15000  1.0 3.0
   42    48    56    58   0.15000  1.0 3.0
   42    48    56    63  -1.63150  1.0 1.0
   42    48    56    63  -0.43550 -1.0 2.0
   42    48    56    63   0.24500  1.0 3.0
   42    48    59    60  -0.11600  1.0 1.0
   42    48    59    60  -0.09450 -1.0 2.0
   42    48    59    60   0.21250  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    56   0.15000  1.0 3.0
   43    42    48    59   0.23400  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    56   0.15000  1.0 3.0
   44    42    48    59   0.23400  1.0 3.0
   48    56    63    64   0.41150 -1.0 2.0
   48    56    63    65   0.41150 -1.0 2.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    63  -0.11250  1.0 3.0
   49    48    59    60   0.19450  1.0 3.0
   56    48    59    60  -0.11600  1.0 1.0
   56    48    59    60  -0.09450 -1.0 2.0
   56    48    59    60   0.21250  1.0 3.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    65   0.00000  1.0 1.0
   58    56    63    64   0.00000  1.0 1.0
   58    56    63    65   0.00000  1.0 1.0
   59    48    56    57   0.23400  1.0 3.0
   59    48    56    58   0.23400  1.0 3.0
   59    48    56    63  -5.33000  1.0 1.0
   59    48    56    63  -0.54250 -1.0 2.0
   59    48    56    63  -0.07300  1.0 3.0
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
   50    69    45    37   4.00000 -1.0 2.0
   61    51    50    45   1.10000 -1.0 2.0
   66    62    61    50   1.10000 -1.0 2.0
   68    67    66    61   1.10000 -1.0 2.0
   69    70    68    66   4.00000 -1.0 2.0
   68    72    69    45   4.00000 -1.0 2.0
   69    40    72    73  10.50000 -1.0 2.0
   40    52    46    47  10.50000 -1.0 2.0
   64    56    63    65  10.50000 -1.0 2.0
END
