* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    132    211     387
    1     0 S   NP   _N1_     1    28.80969    95.12108   -20.56544
    2     1 S   H    _HN1     2     1.02950    89.54187    43.85208
    3     1 S   H    _H1_     3     1.02835    36.74805   164.06080
    4     1 S   H    _H2_     4     1.02778    83.86685   -64.62559
    5     1 S   CT   _CA1     5     1.50093   147.21691   173.08341
    6     5 S   HC   _HA1     6     1.09591   105.20484    53.54447
    7     5 S   CO3  _C1_     7     1.53752   112.18103   -66.43608
    8     7 S   O2Z  _O11     8     1.26331   115.04750   -50.34093
    9     7 S   O2Z  _O12     9     1.26217   114.76546   128.63758
   10     5 S   CT   _CB1    10     1.53075   107.40494   171.11496
   11    10 S   HC   HB11    11     1.09818   109.16149   -52.80159
   12    10 S   HC   HB12    12     1.09815   110.55155    63.70359
   13    10 S   CT   _CG1    13     1.52970   112.61405  -174.00554
   14    13 S   HC   HG11    14     1.09529   110.21832   -64.67206
   15    13 S   HC   HG12    15     1.09649   110.11610    54.44584
   16    13 S   C    _CD1    16     1.51822   112.33632   174.59162
   17    16 S   O    _OE1    17     1.22731   123.22232    -7.91688
   18    16 S   N    _N2_    18     1.38615   111.66502   172.96427
   19    18 S   H    _HN2    19     1.01578   118.94630     0.73595
   20    18 S   CT1  _CA2    20     1.46360   123.47219   178.93762
   21    20 S   HC   _HA2    21     1.09739   109.35285   -10.86881
   22    20 S   C    _C2_    22     1.53416   108.00839  -126.21973
   23    22 S   O    _O2_    23     1.22997   122.59794  -146.58800
   24    20 S   CT   _CB2    32     1.53392   111.49200   111.34359
   25    24 S   HC   HB21    33     1.09564   109.60617    54.19485
   26    24 S   HC   HB22    34     1.09396   110.46564   173.16126
   27    22 S   N    _N3_    24     1.38439   113.35229    40.86201
   28    27 S   H    _HN3    25     1.01643   119.47237    -3.49950
   29    24 S   S    _SG2    35     1.82769   111.17312   -66.98679
   30    27 S   CT   _CA3    26     1.45279   123.08798   176.97056
   31    30 S   HC   HA31    27     1.09553   107.53801   -63.70758
   32    30 S   HC   HA32    28     1.09561   107.93243    52.69448
   33    29 S   CT   _C20    36     1.83826    99.94770   161.22092
   34    33 S   HC   _H3_    37     1.09531   111.13855   -25.30671
   35    30 S   CO3  _C3_    29     1.52922   114.15157   174.69337
   36    35 S   O2Z  _O31    30     1.26359   116.05592     0.00000
   37    35 S   O2Z  _O32    31     1.26427   114.40951  -179.93439
   38    33 S   CM   _C19    38     1.50667   109.87851    95.29593
   39    38 S   CMA  _C18    39     1.35196   124.89536   107.58886
   40    39 S   OM   _O37    40     1.26116   132.30486   177.71099
   41    38 S   CO3  _C21    74     1.54418   116.12607   -76.80321
   42    41 S   O2Z  _O36    75     1.26459   115.77998   110.13878
   43    41 S   O2Z  _O35    76     1.26635   114.60861   -67.12249
   44    39 S   CM   _C17    41     1.46070   117.49898    -1.57570
   45    44 S   HC   _H15    42     1.09015   118.63044  -172.63084
   46    44 S   CM   _C16    43     1.33777   124.36184     9.10457
   47    46 S   HC   _H14    44     1.08342   121.57678   177.57505
   48    33 S   CHZ  _C15    45     1.53502   106.42469  -142.05849
   49    48 S   NI   _N7_    46     1.30660   125.44943    75.38019
   50    49 S   NE   _N6_    47     1.34660   118.12972    -0.07402
   51    50 S   H    _H13    48     1.01242   121.75997    -6.37686
   52    50 S   CA   _C12    49     1.40408   120.65054  -179.89721
   53    52 S   CA   _C11    50     1.40347   122.74366     0.53229
   54    53 S   HA   _H10    51     1.08734   120.60386     1.40012
   55    53 S   CA   _C10    52     1.39674   120.97123  -179.04366
   56    55 S   HA   _H9_    53     1.08617   119.32835  -179.37568
   57    55 S   CA   _C9_    54     1.39358   119.46179     0.79966
   58    57 S   CA   _C14    55     1.39179   120.81797    -0.73489
   59    58 S   HA   _H12    56     1.08567   121.57822  -179.52399
   60    57 S   SY   _S1_    59     1.76951   118.82751  -179.92598
   61    60 S   OY   _O33    60     1.45024   108.46446   177.17860
   62    60 S   OY   _O34    61     1.45082   106.70045    46.45636
   63    52 S   CA   _C13    57     1.40506   118.95367  -177.80501
   64    63 S   HA   _H11    58     1.08789   120.12071    -1.16332
   65    60 S   NE   _N5_    62     1.69846   102.35644   -66.90240
   66    65 S   H    _H8_    63     1.02496   118.07913    99.36441
   67    65 S   CA   _C7_    64     1.43109   121.77715   -60.30148
   68    67 S   CA   _C8_    65     1.38944   118.36820   166.47518
   69    68 S   HA   _H7_    66     1.08488   121.63892    -2.61299
   70    68 S   CA   _C4_    67     1.39188   118.30325   177.61797
   71    70 S   HA   _H4_    68     1.08604   120.14011   179.48909
   72    70 S   CA   _C5_    69     1.38912   119.68888    -0.72091
   73    72 S   HA   _H5_    70     1.08393   121.08958  -179.98022
   74    72 S   CA   _C6_    71     1.38399   117.82605    -0.30519
   75    74 S   HA   _H6_    72     1.08518   120.89363  -179.58931
   76    67 S   NB   _N4_    73     1.35021   118.33515   -17.66073
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  10   9   4   4   1   1   5   3   4   2   4
   5   8   3   9   8   4   9   3  10   7   3   8   4   3   1   1
   7   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    48    49    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    48    49    50    41    42    43  
   38    39    46    48    49    41  
   36    37  
   37  
    0  
   39    40    44    45    46    48    49    41    42    43  
   40    44    45    46    47    48    41    42    43  
   44    45    46    41  
   42    43    44    48  
   43  
    0  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50  
   48    49  
   49    50    51    52  
   50    51    52    53    63  
   51    52    53    54    55    58    63    64  
   52    53    63  
   53    54    55    56    57    58    59    63    64  
   54    55    56    57    58    63    64    60  
   55    56    57    63  
   56    57    58    59    63    60    61    62    65  
   57    58    60  
   58    59    63    64    60    61    62    65    66    67  
   59    63    64    60    61    62    65  
   63    64    60  
   61    62    65    66    67    68    76    63  
   62    65    66    67  
   65    66    67  
   64  
    0  
   66    67    68    69    70    74    76  
   67    68    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   3.5500   0.0760  -0.911500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   49   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   50   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   51   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   61   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.610600   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.685000   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   317.000  1.510
   33    48   285.000  1.496
   38    39   465.000  1.376
   38    41   230.000  1.545
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   360.000  1.437
   48    49   645.000  1.280
   49    50   355.000  1.315
   50    51   434.000  1.010
   50    52   481.000  1.340
   52    53   469.000  1.400
   52    63   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   225.000  1.779
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   60    61   735.000  1.471
   60    62   735.000  1.471
   60    65   220.000  1.729
   65    66   434.000  1.010
   65    67   481.000  1.340
   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
   41    42   656.000  1.250
   41    43   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  114.43000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.04000
   33    48    46    55.00000  127.86000
   33    48    49    65.00000  122.16000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    85.00000  113.83300
   38    41    43    85.00000  113.83300
   39    44    45    40.00000  120.50800
   39    44    46    70.00000  117.34000
   44    39    40    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  117.49700
   46    44    45    35.00000  120.00000
   46    48    49    65.00000  123.49500
   48    33    34    45.00000  110.40700
   48    33    38    70.00000  110.51600
   48    46    47    35.00000  118.70300
   48    49    50    85.00000  114.46500
   49    50    51    50.00000  117.11400
   49    50    52    75.00000  120.05000
   50    52    53    70.00000  120.10000
   50    52    63    70.00000  120.10000
   52    50    51    35.00000  113.50000
   52    53    54    35.00000  120.00000
   52    53    55    63.00000  120.00000
   52    63    58    63.00000  120.00000
   52    63    64    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    65.00000  117.06700
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    63    63.00000  120.00000
   57    60    61   100.00000  107.67100
   57    60    62   100.00000  107.67100
   57    60    65    90.00000  101.56900
   58    63    64    35.00000  120.00000
   63    52    53    63.00000  120.00000
   63    58    59    35.00000  120.00000
   60    57    58    65.00000  117.06700
   60    65    66    35.00000  114.50000
   60    65    67    85.28000  125.46500
   62    60    61   115.00000  120.17200
   65    60    61   115.00000  105.11000
   65    60    62   115.00000  105.11000
   65    67    68    70.00000  120.10000
   65    67    76    80.00000  117.25000
   67    65    66    35.00000  113.50000
   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
   41    38    39    55.00000  124.75400
   43    41    42    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    48    46   0.42700  1.0 1.0
   29    33    48    46  -0.70350 -1.0 2.0
   29    33    48    46  -0.43150  1.0 3.0
   29    33    48    49   0.00000  1.0 1.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    43  -0.64400  1.0 1.0
   33    38    41    43   0.26850 -1.0 2.0
   33    48    49    50   6.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    46   0.00000  1.0 1.0
   34    33    48    49   0.00000  1.0 1.0
   38    33    48    46  -0.28300  1.0 1.0
   38    33    48    46   0.26700 -1.0 2.0
   38    33    48    46  -0.63300  1.0 3.0
   38    33    48    49   0.00000  1.0 1.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    46   7.00000 -1.0 2.0
   39    38    41    42  -0.04000 -1.0 2.0
   39    38    41    42  -0.29050  1.0 3.0
   39    38    41    43  -0.04000 -1.0 2.0
   39    38    41    43  -0.29050  1.0 3.0
   39    44    46    47   7.00000 -1.0 2.0
   39    44    46    48   7.00000 -1.0 2.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.69550 -1.0 2.0
   44    46    48    49   1.09650  1.0 1.0
   44    46    48    49   0.48950 -1.0 2.0
   44    46    48    49   0.49400  1.0 3.0
   45    44    46    47   7.00000 -1.0 2.0
   45    44    46    48   7.00000 -1.0 2.0
   46    48    49    50   6.00000 -1.0 2.0
   47    46    48    33   0.00000  1.0 1.0
   47    46    48    49   1.00600 -1.0 2.0
   48    33   -38    39  -0.28300  1.0 1.0
   48    33   -38    39   0.26700 -1.0 2.0
   48    33   -38    39  -0.63300  1.0 3.0
   48    33    38    41   0.09700  1.0 1.0
   48    33    38    41   0.15600 -1.0 2.0
   48    33    38    41  -0.50800  1.0 3.0
   48    49    50    51   2.00000 -1.0 2.0
   48    49    50    52   2.00000 -1.0 2.0
   49    50    52    53   0.75000 -1.0 2.0
   49    50    52    63   0.75000 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    55   3.62500 -1.0 2.0
   50    52    63    58   3.62500 -1.0 2.0
   50    52    63    64   3.62500 -1.0 2.0
   51    50    52    53   1.00000 -1.0 2.0
   51    50    52    63   1.00000 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    57   3.62500 -1.0 2.0
   53    52    63    58   3.62500 -1.0 2.0
   53    52    63    64   3.62500 -1.0 2.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    63   3.62500 -1.0 2.0
   55    57    60    61   0.19500  1.0 1.0
   55    57    60    61   0.12000 -1.0 2.0
   55    57    60    62   0.19500  1.0 1.0
   55    57    60    62   0.12000 -1.0 2.0
   55    57    60    65  -0.25000 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   57    58   -63    52   3.62500 -1.0 2.0
   57    58    63    64   3.62500 -1.0 2.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    67  -1.00000  1.0 1.0
   57    60    65    67   0.50000  1.0 3.0
   58    57    60    61   0.19500  1.0 1.0
   58    57    60    61   0.12000 -1.0 2.0
   58    57    60    62   0.19500  1.0 1.0
   58    57    60    62   0.12000 -1.0 2.0
   58    57    60    65  -0.25000 -1.0 2.0
   59    58    63    52   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   63    52    53    54   3.62500 -1.0 2.0
   63    52   -53    55   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    63   3.62500 -1.0 2.0
   60    65    67    68   0.75000 -1.0 2.0
   60    65    67    76   0.96250 -1.0 2.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    67   0.00000  1.0 1.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   65    67    68    69   3.62500 -1.0 2.0
   65    67    68    70   3.62500 -1.0 2.0
   65    67    76    74   3.62500 -1.0 2.0
   66    65    67    68   1.00000 -1.0 2.0
   66    65    67    76   1.75000 -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
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   33    46    48    49  10.50000 -1.0 2.0
   51    52    50    49   1.00000 -1.0 2.0
   53    63    52    50   4.00000 -1.0 2.0
   55    54    53    52   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   63    59    58    57   1.10000 -1.0 2.0
   58    64    63    52   1.10000 -1.0 2.0
   66    60    65    67   1.00000 -1.0 2.0
   68    76    67    65   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
   42    38    41    43  10.50000 -1.0 2.0
END
