* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    133    211     390
    1     0 S   NP   _N1_     1    28.00897    95.03888   -21.57463
    2     1 S   H    _HN1     2     1.02949    79.50766    17.51011
    3     1 S   H    _H1_     3     1.02828    39.28943   151.76140
    4     1 S   H    _H2_     4     1.02788    91.25884   -90.94888
    5     1 S   CT   _CA1     5     1.50116   148.53678   129.63384
    6     5 S   HC   _HA1     6     1.09573   105.18303    74.00544
    7     5 S   CO3  _C1_     7     1.53793   112.50229   -46.20980
    8     7 S   O2Z  _O11     8     1.26372   115.00891   -41.56552
    9     7 S   O2Z  _O12     9     1.26243   114.95414   137.56914
   10     5 S   CT   _CB1    10     1.53080   107.41901  -168.00398
   11    10 S   HC   HB11    11     1.09834   109.36526   -49.55594
   12    10 S   HC   HB12    12     1.09812   110.44782    67.06005
   13    10 S   CT   _CG1    13     1.52985   112.60430  -170.52639
   14    13 S   HC   HG11    14     1.09581   110.63715   -65.99666
   15    13 S   HC   HG12    15     1.09672   109.77146    53.23070
   16    13 S   C    _CD1    16     1.51800   112.23732   173.68882
   17    16 S   O    _OE1    17     1.22724   123.28632     7.33896
   18    16 S   N    _N2_    18     1.38645   111.64864  -172.64422
   19    18 S   H    _HN2    19     1.01576   118.92679     1.97100
   20    18 S   CT1  _CA2    20     1.46212   123.46759   177.66653
   21    20 S   HC   _HA2    21     1.09728   109.36645     5.78042
   22    20 S   C    _C2_    22     1.53627   108.89600  -109.89879
   23    22 S   O    _O2_    23     1.23083   122.20640  -149.23144
   24    20 S   CT   _CB2    32     1.53331   111.42377   127.86871
   25    24 S   HC   HB21    33     1.09442   109.54497    55.44996
   26    24 S   HC   HB22    34     1.09488   110.15045   174.69252
   27    22 S   N    _N3_    24     1.38297   113.86718    38.22429
   28    27 S   H    _HN3    25     1.01561   119.61779    -3.15349
   29    24 S   S    _SG2    35     1.82544   111.63236   -65.31546
   30    27 S   CT   _CA3    26     1.45285   123.21561   177.28142
   31    30 S   HC   HA31    27     1.09549   107.50827   -64.90688
   32    30 S   HC   HA32    28     1.09558   107.99494    51.54127
   33    29 S   CT   _C20    36     1.84808   100.13062  -174.06152
   34    33 S   HC   _H4_    37     1.09125   107.69132    45.74492
   35    30 S   CO3  _C3_    29     1.52962   114.06643   173.55819
   36    35 S   O2Z  _O31    30     1.26378   116.07230    -0.09691
   37    35 S   O2Z  _O32    31     1.26426   114.41329   179.95577
   38    33 S   CHZ  _C15    38     1.52744   107.62223   -75.65382
   39    38 S   CM   _C16    39     1.49314   116.66158   -78.18435
   40    39 S   HC   _H14    40     1.08455   117.51359   162.44841
   41    38 S   NI   _N7_    50     1.30352   126.87008   100.17920
   42    39 S   CM   _C17    41     1.33535   121.54200   -17.28646
   43    42 S   HC   _H15    42     1.08415   121.11356   178.82148
   44    41 S   NE   _N6_    51     1.34370   119.38468     2.09125
   45    44 S   H    _H13    52     1.01102   122.88542     4.03828
   46    42 S   CO4  _C18    43     1.48529   121.61228    -4.09840
   47    46 S   O    _O35    44     1.22883   118.61363  -179.34808
   48    44 S   CA   _C12    53     1.40593   120.27761  -175.27876
   49    33 S   CT   _C19    45     1.53490   113.06175   164.34241
   50    49 S   HC   _H3_    46     1.10189   107.81501  -178.50590
   51    48 S   CA   _C11    54     1.40433   122.70838    -1.58214
   52    51 S   HA   _H10    55     1.08722   120.67165    -0.27976
   53    49 S   CO3  _C21    47     1.53412   111.13755   -62.62449
   54    53 S   O2Z  _O37    48     1.26118   117.06064    94.70941
   55    53 S   O2Z  _O36    49     1.26645   113.99061   -84.36314
   56    51 S   CA   _C10    56     1.39655   120.96117   179.78971
   57    56 S   HA   _H9_    57     1.08604   119.54083   179.91153
   58    56 S   CA   _C9_    58     1.39418   119.35623     0.03426
   59    58 S   CA   _C14    59     1.39191   121.02621    -0.40926
   60    59 S   HA   _H12    60     1.08516   121.69537   179.98022
   61    58 S   SY   _S1_    63     1.80589   118.32678  -179.77971
   62    61 S   OY   _O33    64     1.46260   101.03636    52.13470
   63    61 S   OY   _O34    65     1.46177   103.64025   170.05529
   64    48 S   CA   _C13    61     1.40579   118.96949   177.94824
   65    64 S   HA   _H11    62     1.08798   120.14569     0.19383
   66    61 S   NM   _N5_    66     1.59440   107.15788   -67.32086
   67    66 S   CA   _C7_    67     1.35130   123.52943   -64.55989
   68    67 S   CA   _C8_    68     1.39598   119.71033   178.16325
   69    68 S   HA   _H8_    69     1.08705   121.05291     0.09065
   70    68 S   CA   _C4_    70     1.39410   119.58222  -179.82868
   71    70 S   HA   _H5_    71     1.08576   120.05181   179.95154
   72    70 S   CA   _C5_    72     1.38621   119.67843    -0.01978
   73    72 S   HA   _H6_    73     1.08337   121.24558   180.00000
   74    72 S   CA   _C6_    74     1.38126   117.52282    -0.04423
   75    74 S   HA   _H7_    75     1.08490   120.97430  -180.00000
   76    67 S   NB   _N4_    76     1.35662   119.41157    -1.78696
  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
  14   7   2   1   1  12   8   4   7   6   3   8   3   6   3   9
   4   3   8   4   2   1   1   9   3   9   7   3   7   3   2   1
   1   6   8   7   4   6   3   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    46    49    50    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    46    47    49    50    53    54    55    41    44  
   38    39    46    49    50    53    41  
   36    37  
   37  
    0  
   39    40    42    43    46    49    50    53    41    44    45    48  
   40    42    43    46    47    49    41    44  
   42    43    46    41  
   44    45    48    51    64    42    49  
   43    46    47    49    50    53  
   46    47    49  
   45    48    51    52    56    59    64    65  
   48    51    64  
   47    49    50    53    54    55  
   49    50    53  
   51    52    56    57    58    59    60    64    65  
   50    53    54    55  
   53    54    55  
   52    56    57    58    59    64    65    61  
   56    57    58    64  
   54    55  
   55  
    0  
   57    58    59    60    64    61    62    63    66  
   58    59    61  
   59    60    64    65    61    62    63    66    67  
   60    64    65    61    62    63    66  
   64    65    61  
   62    63    66    67    68    76    64  
   63    66    67  
   66    67  
   65  
    0  
   67    68    69    70    74    76  
   68    69    70    71    72    74    75    76  
   69    70    71    72    73    74    76  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.155400   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   62   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   63   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.4200   0.1700  -0.917200   1.9310   1.7100   0.005000000   0.000000000
   67   3.5500   0.0700   0.607500   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   76   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
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   285.000  1.496
   33    49   268.000  1.529
   38    39   360.000  1.437
   38    41   645.000  1.280
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   41    44   355.000  1.315
   44    45   434.000  1.010
   44    48   481.000  1.340
   48    51   469.000  1.400
   48    64   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   225.000  1.779
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   61    62   735.000  1.471
   61    63   735.000  1.471
   61    66   350.000  1.613
   66    67   515.000  1.335
   67    68   469.000  1.400
   67    76   483.000  1.339
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   483.000  1.339
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  114.43000
   29    33    49    75.00000  111.63000
   33    38    39    55.00000  127.86000
   33    38    41    65.00000  122.16000
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    70.00000  109.69300
   38    33    34    45.00000  110.40700
   38    39    40    35.00000  118.70300
   38    39    42    70.00000  117.49700
   38    41    44    85.00000  114.46500
   39    42    43    35.00000  120.00000
   39    42    46    65.00000  118.96000
   42    39    40    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    49    65.00000  118.62400
   46    42    43    40.00000  117.72500
   46    49    50    35.00000  109.50000
   46    49    53    70.00000  107.85200
   49    33    34    37.50000  110.70000
   49    33    38    75.00000  111.15500
   49    46    47    80.00000  120.40000
   49    53    54    70.00000  117.00000
   49    53    55    70.00000  117.00000
   53    49    50    35.00000  109.50000
   55    53    54    80.00000  126.00000
   41    38    39    65.00000  123.49500
   41    44    45    50.00000  117.11400
   41    44    48    75.00000  120.05000
   44    48    51    70.00000  120.10000
   44    48    64    70.00000  120.10000
   48    44    45    35.00000  113.50000
   48    51    52    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    64    59    63.00000  120.00000
   48    64    65    35.00000  120.00000
   51    56    57    35.00000  120.00000
   51    56    58    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    65.00000  117.06700
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62   100.00000  107.67100
   58    61    63   100.00000  107.67100
   58    61    66   105.00000   98.50000
   59    64    65    35.00000  120.00000
   64    48    51    63.00000  120.00000
   64    59    60    35.00000  120.00000
   61    58    59    65.00000  117.06700
   61    66    67    75.00000  122.36500
   63    61    62   115.00000  120.17200
   66    61    62   105.00000  114.79700
   66    61    63   105.00000  114.79700
   66    67    68    65.00000  124.38400
   66    67    76    75.00000  123.00000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    76    74    70.00000  117.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    70.00000  124.00000
   74    72    73    35.00000  120.00000
   76    67    68    70.00000  124.00000
   76    74    75    35.00000  116.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.00000  1.0 1.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.56750  1.0 1.0
   29    33    49    53  -0.07550 -1.0 2.0
   29    33    49    53   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42   0.69550 -1.0 2.0
   33    38    41    44   6.00000 -1.0 2.0
   33    49    53    54   0.41150 -1.0 2.0
   33    49    53    55   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53  -0.11250  1.0 3.0
   38    33    49    46  -0.98800  1.0 1.0
   38    33    49    46   0.48800 -1.0 2.0
   38    33    49    46   0.76800  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    53  -0.98800  1.0 1.0
   38    33    49    53   0.48800 -1.0 2.0
   38    33    49    53   0.76800  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    46   7.00000 -1.0 2.0
   38    41    44    45   2.00000 -1.0 2.0
   38    41    44    48   2.00000 -1.0 2.0
   39    38    41    44   6.00000 -1.0 2.0
   39    42    46    47   1.00000 -1.0 2.0
   39    42    46    49  -0.33500  1.0 1.0
   39    42    46    49   1.06600 -1.0 2.0
   39    42    46    49  -0.14000  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    46   7.00000 -1.0 2.0
   42    46   -49    33   0.65300  1.0 1.0
   42    46   -49    33  -0.03850 -1.0 2.0
   42    46   -49    33   0.33900  1.0 3.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.65300  1.0 1.0
   42    46    49    53  -0.03850 -1.0 2.0
   42    46    49    53   0.33900  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    49   0.04550  1.0 1.0
   43    42    46    49   0.83000 -1.0 2.0
   43    42    46    49  -0.04000  1.0 3.0
   46    49    53    54   0.30150 -1.0 2.0
   46    49    53    55   0.30150 -1.0 2.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.30150 -1.0 2.0
   49    33   -38    39   0.09850  1.0 1.0
   49    33   -38    39   0.15250 -1.0 2.0
   49    33   -38    39  -0.50650  1.0 3.0
   49    33    38    41   0.00000  1.0 1.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   41    38    39    40   1.00600 -1.0 2.0
   41    38    39    42   1.09650  1.0 1.0
   41    38    39    42   0.48950 -1.0 2.0
   41    38    39    42   0.49400  1.0 3.0
   41    44    48    51   0.75000 -1.0 2.0
   41    44    48    64   0.75000 -1.0 2.0
   44    48    51    52   3.62500 -1.0 2.0
   44    48    51    56   3.62500 -1.0 2.0
   44    48    64    59   3.62500 -1.0 2.0
   44    48    64    65   3.62500 -1.0 2.0
   45    44    48    51   1.00000 -1.0 2.0
   45    44    48    64   1.00000 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    56    58   3.62500 -1.0 2.0
   51    48    64    59   3.62500 -1.0 2.0
   51    48    64    65   3.62500 -1.0 2.0
   51    56   -58    59   3.62500 -1.0 2.0
   51    56    58    61   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    58   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    64   3.62500 -1.0 2.0
   56    58    61    62   0.19500  1.0 1.0
   56    58    61    62   0.12000 -1.0 2.0
   56    58    61    63   0.19500  1.0 1.0
   56    58    61    63   0.12000 -1.0 2.0
   56    58    61    66  -0.49050  1.0 1.0
   56    58    61    66   0.22250 -1.0 2.0
   56    58    61    66  -0.39350  1.0 3.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59   -64    48   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    61    66    67  -0.64500  1.0 1.0
   58    61    66    67  -1.19050 -1.0 2.0
   58    61    66    67  -0.04400  1.0 3.0
   59    58    61    62   0.19500  1.0 1.0
   59    58    61    62   0.12000 -1.0 2.0
   59    58    61    63   0.19500  1.0 1.0
   59    58    61    63   0.12000 -1.0 2.0
   59    58    61    66  -0.49050  1.0 1.0
   59    58    61    66   0.22250 -1.0 2.0
   59    58    61    66  -0.39350  1.0 3.0
   60    59    64    48   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   64    48    51    52   3.62500 -1.0 2.0
   64    48   -51    56   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    67    68   1.50000 -1.0 2.0
   61    66    67    76   1.50000 -1.0 2.0
   62    61    66    67  -0.23550  1.0 1.0
   62    61    66    67   0.77000 -1.0 2.0
   62    61    66    67   0.47650  1.0 3.0
   63    61    66    67  -0.23550  1.0 1.0
   63    61    66    67   0.77000 -1.0 2.0
   63    61    66    67   0.47650  1.0 3.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    68    70   3.62500 -1.0 2.0
   66    67    76    74   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    76    74   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    67   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   75    74    76    67   3.62500 -1.0 2.0
   76    67    68    69   3.62500 -1.0 2.0
   76    67   -68    70   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  10.50000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   42    49    46    47  10.50000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
   45    48    44    41   1.00000 -1.0 2.0
   51    64    48    44   4.00000 -1.0 2.0
   56    52    51    48   1.10000 -1.0 2.0
   58    57    56    51   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   59    65    64    48   1.10000 -1.0 2.0
   68    76    67    66   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
END
