* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    143    237     431
    1     0 S   NP   _N1_     1    28.06621    97.34928   -25.28004
    2     1 S   H    _HN1     2     1.02777   116.14020  -103.96146
    3     1 S   H    _H1_     3     1.02957    73.04687    -1.44401
    4     1 S   H    _H2_     4     1.02835    34.18792   172.55816
    5     1 S   CT   _CA1     5     1.50145   127.20798   101.61344
    6     5 S   HC   _HA1     6     1.09576   105.18986    93.80566
    7     5 S   CO3  _C1_     7     1.53766   112.32001   -26.33313
    8     7 S   O2Z  _O11     8     1.26367   114.98962   -44.45173
    9     7 S   O2Z  _O12     9     1.26230   114.92014   134.50111
   10     5 S   CT   _CB1    10     1.53082   107.40518  -148.33363
   11    10 S   HC   HB11    11     1.09831   109.26891   -50.47993
   12    10 S   HC   HB12    12     1.09814   110.45847    66.05090
   13    10 S   CT   _CG1    13     1.53040   112.71394  -171.53810
   14    13 S   HC   HG11    14     1.09590   110.53060   -65.61432
   15    13 S   HC   HG12    15     1.09660   109.88348    53.60597
   16    13 S   C    _CD1    16     1.51858   112.22318   173.92949
   17    16 S   O    _OE1    17     1.22770   123.24794     2.76152
   18    16 S   N    _N2_    18     1.38569   111.81187  -177.19146
   19    18 S   H    _HN2    19     1.01561   119.10229     3.68982
   20    18 S   CT1  _CA2    20     1.45830   122.75763   177.29861
   21    20 S   HC   _HA2    21     1.09734   108.84408    25.83803
   22    20 S   C    _C2_    22     1.52959   106.96892   -91.15355
   23    22 S   O    _O2_    23     1.22982   123.05852   -27.57892
   24    20 S   CT   _CB2    32     1.53196   112.37243   149.04627
   25    24 S   HC   HB21    33     1.09586   110.23778    54.20324
   26    24 S   HC   HB22    34     1.09438   109.80680   173.29182
   27    22 S   N    _N3_    24     1.38502   112.56948   155.06327
   28    27 S   H    _HN3    25     1.01654   120.34614    -1.73190
   29    24 S   S    _SG2    35     1.82451   111.14588   -66.80518
   30    27 S   CT   _CA3    26     1.45353   122.48680   178.70790
   31    30 S   HC   HA31    27     1.09565   107.75039   -57.35111
   32    30 S   HC   HA32    28     1.09564   107.66264    58.97596
   33    29 S   CT   _C10    36     1.84774    99.93173   170.10566
   34    33 S   HC   _H4_    37     1.09996   105.94582   -53.94600
   35    30 S   CO3  _C3_    29     1.52893   114.33199  -179.18195
   36    35 S   O2Z  _O31    30     1.26337   116.06069     0.88227
   37    35 S   O2Z  _O32    31     1.26439   114.41295  -179.15073
   38    33 S   CT   _C11    38     1.53969   112.01405    65.80883
   39    38 S   HC   _H5_    39     1.09610   112.40015    31.68208
   40    38 S   CM   _C12    40     1.51227   104.69322   150.59980
   41    38 S   OH   _O33    72     1.42279   110.75555   -90.19397
   42    41 S   HO   _H21    73     0.97260   107.80632   -64.22683
   43    40 S   CT   _C14    41     1.53782   111.04007    -4.36323
   44    40 S   CM   _C13    69     1.34152   122.93861   175.66758
   45    44 S   HC   _H14    70     1.08415   121.64439  -179.19303
   46    44 S   HC   _H15    71     1.08501   120.93040     0.19383
   47    43 S   CT   _C15    42     1.55138   113.25927  -130.78439
   48    47 S   HC   _H6_    43     1.09679   111.30126   -33.96721
   49    33 S   CT   _C9_    56     1.55179   114.40646  -176.31905
   50    49 S   OM   _O34    57     1.32111   110.36950    76.33497
   51    43 S   CT   _C17    65     1.54156   106.81872   103.34153
   52    51 S   HC   _H18    66     1.09416   112.75526  -171.87539
   53    51 S   HC   _H19    67     1.09659   110.74948    68.21616
   54    51 S   HC   _H20    68     1.09654   111.79085   -51.39176
   55    47 S   CT   _C16    44     1.53798   117.54278  -158.18026
   56    55 S   HC   _H16    45     1.09550   111.60409   -30.03532
   57    55 S   HC   _H17    46     1.09484   110.93205    89.23091
   58    55 S   CT   _C5_    47     1.53203   103.83787  -148.04493
   59    58 S   CT   _C6_    48     1.53127   101.28715    43.50502
   60    59 S   HC   _H10    49     1.09476   113.90552  -161.47542
   61    59 S   HC   _H11    50     1.09729   110.34763    78.54697
   62    58 S   CO3  _C18    58     1.55393   113.76063   -79.53903
   63    62 S   O2Z  _O36    59     1.26470   115.66573   -34.41158
   64    62 S   O2Z  _O35    60     1.26437   115.74377   146.73913
   65    58 S   CT   _C4_    61     1.52848   112.00198   162.94073
   66    65 S   HC   _H7_    62     1.09587   111.32264   -56.66181
   67    65 S   HC   _H8_    63     1.09621   111.36279  -176.55639
   68    65 S   HC   _H9_    64     1.09619   111.43324    63.21948
   69    47 S   CT   _C7_    51     1.54410   106.76254    84.68448
   70    69 S   HC   _H3_    52     1.09742   109.94523  -112.11879
   71    69 S   CT   _C8_    53     1.53454   107.34151     7.03062
   72    71 S   HC   _H12    54     1.09800   112.19463   139.24807
   73    71 S   HC   _H13    55     1.09774   107.10818  -105.19540
  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  10   5   4   3
  16   8   2   1   1  13   6  17   4   1  21   5   1   1  21  10
  12   5   6   2   1   1  16   6   5  13  14   6   5   7   2   1
   4   2   1   1   4   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    71    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    69    71    72    73    49    50    51    44    41    42  
   38    39    40    43    71    49    50    41  
   36    37  
   37  
    0  
   39    40    43    47    71    49    50    51    44    45    46    41    42  
   40    43    49    44    41    42  
   43    47    48    55    69    71    49    50    51    52    53    54    44    45    46    41    42  
   42    43    44    49  
    0  
   47    48    55    56    57    58    59    69    70    71    72    73    49    50    51    52    53    54    44    45    46  
   45    46    47    49    51  
   46  
    0  
   48    55    56    57    58    59    60    61    69    70    71    72    73    49    50    62    65    51    52    53    54  
   55    56    57    58    59    69    70    71    49    51  
   50    51    52    53    54    55    59    69    70    71    72    73  
   51    69    71    72    73  
   52    53    54    55    69    71  
   53    54  
   54  
    0  
   56    57    58    59    60    61    69    70    71    62    63    64    65    66    67    68  
   57    58    59    69    62    65  
   58    59    69    62    65  
   59    60    61    69    70    71    62    63    64    65    66    67    68  
   60    61    69    70    71    72    73    62    63    64    65    66    67    68  
   61    69    70    71    62    65  
   69    70    71    62    65  
   63    64    65    66    67    68    69  
   64    65  
   65  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72    73  
   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  -0.335000   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   0.107500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   317.000  1.510
   40    44   549.000  1.340
   43    47   268.000  1.529
   43    49   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    69   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   268.000  1.529
   58    62   317.000  1.522
   58    65   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    49   268.000  1.529
   49    50   570.000  1.307
   62    63   656.000  1.250
   62    64   656.000  1.250
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   340.000  1.080
   44    46   340.000  1.080
   41    42   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    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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    41    50.00000  109.50000
   33    49    43    58.35000  112.70000
   33    49    71    58.35000  112.70000
   33    49    50    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    65.00000  117.92700
   38    40    44    70.00000  124.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    47    70.00000  112.02700
   40    43    49    70.00000  112.02700
   40    43    51    70.00000  112.02700
   40    44    45    35.00000  120.00000
   40    44    46    35.00000  120.00000
   43    47    48    37.50000  110.70000
   43    47    55    58.35000  112.70000
   43    47    69    58.35000  112.70000
   43    49    71    58.35000  112.70000
   43    49    50    50.00000  109.50000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    58    58.35000  112.70000
   47    69    59    58.35000  112.70000
   47    69    70    37.50000  110.70000
   47    69    71    58.35000  112.70000
   55    47    48    37.50000  110.70000
   55    58    59    58.35000  112.70000
   55    58    62    70.00000  109.69300
   55    58    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    59    60    37.50000  110.70000
   58    59    61    37.50000  110.70000
   58    59    69    58.35000  112.70000
   58    62    63    70.00000  117.00000
   58    62    64    70.00000  117.00000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    37.50000  110.70000
   59    69    70    37.50000  110.70000
   59    69    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   69    47    48    37.50000  110.70000
   69    47    55    58.35000  112.70000
   69    59    60    37.50000  110.70000
   69    59    61    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    49    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    49    50    50.00000  109.50000
   73    71    72    33.00000  107.80000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    43    47    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    73    37.50000  110.70000
   62    58    59    70.00000  109.69300
   64    62    63    80.00000  126.00000
   65    58    59    58.35000  112.70000
   65    58    62    70.00000  109.69300
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   51    43    47    58.35000  112.70000
   51    43    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    40    43    70.00000  124.00000
   46    44    45    35.00000  117.00000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  110.39200
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   0.01700  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    43   0.44750  1.0 1.0
   29    33    49    43  -0.17800 -1.0 2.0
   29    33    49    43   0.20200  1.0 3.0
   29    33    49    71   0.44750  1.0 1.0
   29    33    49    71  -0.17800 -1.0 2.0
   29    33    49    71   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   33    38   -40    43   0.46850  1.0 1.0
   33    38   -40    43   0.08550 -1.0 2.0
   33    38   -40    43   0.09800  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    49    43   0.15000  1.0 3.0
   34    33    49    71   0.15000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   38    33   -49    43   0.56750  1.0 1.0
   38    33   -49    43  -0.07550 -1.0 2.0
   38    33   -49    43   0.20000  1.0 3.0
   38    33    49    71   0.56750  1.0 1.0
   38    33    49    71  -0.07550 -1.0 2.0
   38    33    49    71   0.20000  1.0 3.0
   38    33    49    50   0.62750  1.0 1.0
   38    33    49    50  -0.30950 -1.0 2.0
   38    33    49    50   0.27300  1.0 3.0
   38    40    43    47   0.46850  1.0 1.0
   38    40    43    47   0.08550 -1.0 2.0
   38    40    43    47   0.09800  1.0 3.0
   38    40   -43    49   0.46850  1.0 1.0
   38    40   -43    49   0.08550 -1.0 2.0
   38    40   -43    49   0.09800  1.0 3.0
   38    40    43    51   0.46850  1.0 1.0
   38    40    43    51   0.08550 -1.0 2.0
   38    40    43    51   0.09800  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40    44    46   7.00000 -1.0 2.0
   39    38    40    43   0.34800  1.0 3.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.07800  1.0 1.0
   40    38    41    42  -0.21500 -1.0 2.0
   40    38    41    42  -0.03150  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    55   0.34400  1.0 1.0
   40    43    47    55   0.09450 -1.0 2.0
   40    43    47    55   0.11100  1.0 3.0
   40    43    47    69   0.34400  1.0 1.0
   40    43    47    69   0.09450 -1.0 2.0
   40    43    47    69   0.11100  1.0 3.0
   40    43   -49    33   0.34400  1.0 1.0
   40    43   -49    33   0.09450 -1.0 2.0
   40    43   -49    33   0.11100  1.0 3.0
   40    43    49    71   0.34400  1.0 1.0
   40    43    49    71   0.09450 -1.0 2.0
   40    43    49    71   0.11100  1.0 3.0
   40    43    49    50   0.61850  1.0 1.0
   40    43    49    50  -0.22750 -1.0 2.0
   40    43    49    50   0.15300  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43    51    54   0.15000  1.0 3.0
   43    40    44    45   7.00000 -1.0 2.0
   43    40    44    46   7.00000 -1.0 2.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    57   0.15000  1.0 3.0
   43    47    55    58   0.56750  1.0 1.0
   43    47    55    58  -0.07550 -1.0 2.0
   43    47    55    58   0.20000  1.0 3.0
   43    47    69    59   0.56750  1.0 1.0
   43    47    69    59  -0.07550 -1.0 2.0
   43    47    69    59   0.20000  1.0 3.0
   43    47    69    70   0.15000  1.0 3.0
   43    47   -69    71   0.56750  1.0 1.0
   43    47   -69    71  -0.07550 -1.0 2.0
   43    47   -69    71   0.20000  1.0 3.0
   47    43    49    33   0.56750  1.0 1.0
   47    43    49    33  -0.07550 -1.0 2.0
   47    43    49    33   0.20000  1.0 3.0
   47    43   -49    71   0.56750  1.0 1.0
   47    43   -49    71  -0.07550 -1.0 2.0
   47    43   -49    71   0.20000  1.0 3.0
   47    43    49    50   0.62750  1.0 1.0
   47    43    49    50  -0.30950 -1.0 2.0
   47    43    49    50   0.27300  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   47    55   -58    59   0.56750  1.0 1.0
   47    55   -58    59  -0.07550 -1.0 2.0
   47    55   -58    59   0.20000  1.0 3.0
   47    55    58    62  -1.63150  1.0 1.0
   47    55    58    62  -0.43550 -1.0 2.0
   47    55    58    62   0.24500  1.0 3.0
   47    55    58    65   0.56750  1.0 1.0
   47    55    58    65  -0.07550 -1.0 2.0
   47    55    58    65   0.20000  1.0 3.0
   47    69    71    72   0.15000  1.0 3.0
   47    69    71    73   0.15000  1.0 3.0
   47    69   -71    49   0.56750  1.0 1.0
   47    69   -71    49  -0.07550 -1.0 2.0
   47    69   -71    49   0.20000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    58   0.15000  1.0 3.0
   48    47    69    59   0.15000  1.0 3.0
   48    47    69    70   0.15000  1.0 3.0
   48    47    69    71   0.15000  1.0 3.0
   55    47   -69    59   0.56750  1.0 1.0
   55    47   -69    59  -0.07550 -1.0 2.0
   55    47   -69    59   0.20000  1.0 3.0
   55    47    69    70   0.15000  1.0 3.0
   55    47    69    71   0.56750  1.0 1.0
   55    47    69    71  -0.07550 -1.0 2.0
   55    47    69    71   0.20000  1.0 3.0
   55    58    59    60   0.15000  1.0 3.0
   55    58    59    61   0.15000  1.0 3.0
   55    58   -59    69   0.56750  1.0 1.0
   55    58   -59    69  -0.07550 -1.0 2.0
   55    58   -59    69   0.20000  1.0 3.0
   55    58    62    63   0.41150 -1.0 2.0
   55    58    62    64   0.41150 -1.0 2.0
   55    58    65    66   0.15000  1.0 3.0
   55    58    65    67   0.15000  1.0 3.0
   55    58    65    68   0.15000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    62  -0.11250  1.0 3.0
   56    55    58    65   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    62  -0.11250  1.0 3.0
   57    55    58    65   0.15000  1.0 3.0
   58    59   -69    47   0.56750  1.0 1.0
   58    59   -69    47  -0.07550 -1.0 2.0
   58    59   -69    47   0.20000  1.0 3.0
   58    59    69    70   0.15000  1.0 3.0
   58    59    69    71   0.56750  1.0 1.0
   58    59    69    71  -0.07550 -1.0 2.0
   58    59    69    71   0.20000  1.0 3.0
   59    58    62    63   0.41150 -1.0 2.0
   59    58    62    64   0.41150 -1.0 2.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    68   0.15000  1.0 3.0
   59    69    71    72   0.15000  1.0 3.0
   59    69    71    73   0.15000  1.0 3.0
   59    69    71    49   0.56750  1.0 1.0
   59    69    71    49  -0.07550 -1.0 2.0
   59    69    71    49   0.20000  1.0 3.0
   60    59    69    47   0.15000  1.0 3.0
   60    59    69    70   0.15000  1.0 3.0
   60    59    69    71   0.15000  1.0 3.0
   61    59    69    47   0.15000  1.0 3.0
   61    59    69    70   0.15000  1.0 3.0
   61    59    69    71   0.15000  1.0 3.0
   69    47    55    56   0.15000  1.0 3.0
   69    47    55    57   0.15000  1.0 3.0
   69    47   -55    58   0.56750  1.0 1.0
   69    47   -55    58  -0.07550 -1.0 2.0
   69    47   -55    58   0.20000  1.0 3.0
   69    71    49    33   0.56750  1.0 1.0
   69    71    49    33  -0.07550 -1.0 2.0
   69    71    49    33   0.20000  1.0 3.0
   69    71   -49    43   0.56750  1.0 1.0
   69    71   -49    43  -0.07550 -1.0 2.0
   69    71   -49    43   0.20000  1.0 3.0
   69    71    49    50   0.62750  1.0 1.0
   69    71    49    50  -0.30950 -1.0 2.0
   69    71    49    50   0.27300  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    49   0.15000  1.0 3.0
   72    71    49    33   0.15000  1.0 3.0
   72    71    49    43   0.15000  1.0 3.0
   72    71    49    50   0.23400  1.0 3.0
   73    71    49    33   0.15000  1.0 3.0
   73    71    49    43   0.15000  1.0 3.0
   73    71    49    50   0.23400  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    41   0.86500  1.0 1.0
   49    33    38    41  -0.17500 -1.0 2.0
   49    33    38    41   0.20800  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    55   0.56750  1.0 1.0
   49    43    47    55  -0.07550 -1.0 2.0
   49    43    47    55   0.20000  1.0 3.0
   49    43   -47    69   0.56750  1.0 1.0
   49    43   -47    69  -0.07550 -1.0 2.0
   49    43   -47    69   0.20000  1.0 3.0
   49    43    51    52   0.15000  1.0 3.0
   49    43    51    53   0.15000  1.0 3.0
   49    43    51    54   0.15000  1.0 3.0
   62    58    59    60  -0.11250  1.0 3.0
   62    58    59    61  -0.11250  1.0 3.0
   62    58    59    69  -1.63150  1.0 1.0
   62    58    59    69  -0.43550 -1.0 2.0
   62    58    59    69   0.24500  1.0 3.0
   62    58    65    66  -0.11250  1.0 3.0
   62    58    65    67  -0.11250  1.0 3.0
   62    58    65    68  -0.11250  1.0 3.0
   65    58    59    60   0.15000  1.0 3.0
   65    58    59    61   0.15000  1.0 3.0
   65    58    59    69   0.56750  1.0 1.0
   65    58    59    69  -0.07550 -1.0 2.0
   65    58    59    69   0.20000  1.0 3.0
   65    58    62    63   0.41150 -1.0 2.0
   65    58    62    64   0.41150 -1.0 2.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    55   0.56750  1.0 1.0
   51    43    47    55  -0.07550 -1.0 2.0
   51    43    47    55   0.20000  1.0 3.0
   51    43    47    69   0.56750  1.0 1.0
   51    43    47    69  -0.07550 -1.0 2.0
   51    43    47    69   0.20000  1.0 3.0
   51    43    49    33   0.56750  1.0 1.0
   51    43    49    33  -0.07550 -1.0 2.0
   51    43    49    33   0.20000  1.0 3.0
   51    43    49    71   0.56750  1.0 1.0
   51    43    49    71  -0.07550 -1.0 2.0
   51    43    49    71   0.20000  1.0 3.0
   51    43    49    50   0.62750  1.0 1.0
   51    43    49    50  -0.30950 -1.0 2.0
   51    43    49    50   0.27300  1.0 3.0
   44    40    43    47   0.09850  1.0 1.0
   44    40    43    47   0.15250 -1.0 2.0
   44    40    43    47  -0.50650  1.0 3.0
   44    40    43    49   0.09850  1.0 1.0
   44    40    43    49   0.15250 -1.0 2.0
   44    40    43    49  -0.50650  1.0 3.0
   44    40    43    51   0.09850  1.0 1.0
   44    40    43    51   0.15250 -1.0 2.0
   44    40    43    51  -0.50650  1.0 3.0
   41    38    40    43   0.18000  1.0 1.0
   41    38    40    43   0.16450 -1.0 2.0
   41    38    40    43   0.04450  1.0 3.0
   41    38    40    44   0.67800  1.0 1.0
   41    38    40    44   0.47050 -1.0 2.0
   41    38    40    44  -0.62500  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    44   1.10000 -1.0 2.0
   63    58    62    64  10.50000 -1.0 2.0
   45    46    44    40   1.10000 -1.0 2.0
END
