* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    132    211     387
    1     0 S   NP   _N1_     1    28.48096    96.08187   -22.78151
    2     1 S   H    _HN1     2     1.02956    74.88189    14.50363
    3     1 S   H    _H1_     3     1.02833    36.83634   164.75014
    4     1 S   H    _H2_     4     1.02779   102.08115   -91.46592
    5     1 S   CT   _CA1     5     1.50163   140.47585   118.34725
    6     5 S   HC   _HA1     6     1.09579   105.17336    86.93095
    7     5 S   CO3  _C1_     7     1.53740   112.26150   -33.16708
    8     7 S   O2Z  _O11     8     1.26365   114.98931   -45.52764
    9     7 S   O2Z  _O12     9     1.26222   114.89335   133.29623
   10     5 S   CT   _CB1    10     1.53061   107.37496  -155.27211
   11    10 S   HC   HB11    11     1.09837   109.18143   -50.59188
   12    10 S   HC   HB12    12     1.09814   110.48604    65.88643
   13    10 S   CT   _CG1    13     1.53074   112.80433  -171.64769
   14    13 S   HC   HG11    14     1.09585   110.58228   -66.83879
   15    13 S   HC   HG12    15     1.09661   109.87060    52.44643
   16    13 S   C    _CD1    16     1.51871   112.04666   172.69924
   17    16 S   O    _OE1    17     1.22764   123.14236     4.98378
   18    16 S   N    _N2_    18     1.38618   111.90816  -174.65599
   19    18 S   H    _HN2    19     1.01626   119.12533     0.19077
   20    18 S   CT1  _CA2    20     1.46223   123.35484   178.11031
   21    20 S   HC   _HA2    21     1.09744   109.27088     5.76375
   22    20 S   C    _C2_    22     1.53634   109.23587  -109.89506
   23    22 S   O    _O2_    23     1.23091   122.01442  -148.07200
   24    20 S   CT   _CB2    32     1.53314   111.53654   127.56567
   25    24 S   HC   HB21    33     1.09399   109.83879    57.16686
   26    24 S   HC   HB22    34     1.09510   110.12307   175.81194
   27    22 S   N    _N3_    24     1.38442   113.89518    39.60963
   28    27 S   H    _HN3    25     1.01441   119.07612    -0.56579
   29    24 S   S    _SG2    35     1.82673   111.63852   -64.52716
   30    27 S   CT   _CA3    26     1.45445   123.38357   175.08378
   31    30 S   HC   HA31    27     1.09528   109.25805    25.47677
   32    30 S   HC   HA32    28     1.09501   107.15195   142.45474
   33    29 S   CT   _C21    36     1.83854    99.46530   178.37201
   34    33 S   HC   _H3_    37     1.09571   110.79803    24.31944
   35    30 S   CO3  _C3_    29     1.52901   112.94467   -98.00526
   36    35 S   O2Z  _O31    30     1.26415   115.29839   -48.30057
   37    35 S   O2Z  _O32    31     1.26338   115.06287   132.57822
   38    33 S   CM   _C19    38     1.50746   109.76393   -96.10279
   39    38 S   CMA  _C18    39     1.35186   124.99237  -107.04618
   40    39 S   OM   _O35    40     1.26113   132.29915  -177.91390
   41    38 S   CO3  _C20    74     1.54284   116.33653    77.26883
   42    41 S   O2Z  _O36    75     1.26615   114.66950    71.07144
   43    41 S   O2Z  _O37    76     1.26489   115.69733  -105.99453
   44    39 S   CM   _C17    41     1.46041   117.46308     1.41333
   45    44 S   HC   _H15    42     1.09011   118.65903   172.38583
   46    44 S   CM   _C16    43     1.33774   124.28258    -9.47044
   47    46 S   HC   _H14    44     1.08340   121.58297  -177.40565
   48    33 S   CHZ  _C15    45     1.53473   106.83675   141.38955
   49    48 S   NI   _N7_    46     1.30640   125.49230   -76.72649
   50    49 S   NE   _N6_    47     1.34616   118.08429     1.14312
   51    50 S   H    _H13    48     1.01268   121.57961    11.19667
   52    50 S   CA   _C12    49     1.40411   120.59932  -176.39131
   53    52 S   CA   _C11    50     1.40375   122.71567     3.58305
   54    53 S   HA   _H10    51     1.08747   120.58261    -0.79574
   55    53 S   CA   _C10    52     1.39684   120.97993   179.25401
   56    55 S   HA   _H9_    53     1.08632   119.30495   179.78786
   57    55 S   CA   _C9_    54     1.39377   119.45947    -0.51964
   58    57 S   CA   _C14    55     1.39192   120.82254     0.73887
   59    58 S   HA   _H12    56     1.08579   121.65109   179.75611
   60    57 S   SY   _S1_    59     1.76989   118.80774   179.60435
   61    60 S   OY   _O33    60     1.45092   106.39512   -45.86523
   62    60 S   OY   _O34    61     1.45012   108.28688  -176.04136
   63    52 S   CA   _C13    57     1.40517   119.00039  -177.50432
   64    63 S   HA   _H11    58     1.08823   120.09769     0.75407
   65    60 S   NE   _N5_    62     1.69650   102.53977    67.72633
   66    65 S   H    _H8_    63     1.02504   118.30282   -99.95679
   67    65 S   CA   _C7_    64     1.43102   121.83844    60.69112
   68    67 S   CA   _C8_    65     1.38940   118.38475  -167.28479
   69    68 S   HA   _H7_    66     1.08490   121.65937     2.46100
   70    68 S   CA   _C4_    67     1.39186   118.29346  -177.74901
   71    70 S   HA   _H4_    68     1.08606   120.13887  -179.51665
   72    70 S   CA   _C5_    69     1.38913   119.69361     0.68785
   73    72 S   HA   _H5_    70     1.08394   121.08648   179.97202
   74    72 S   CA   _C6_    71     1.38397   117.82771     0.29342
   75    74 S   HA   _H6_    72     1.08520   120.88560   179.60933
   76    67 S   NB   _N4_    73     1.35021   118.31611    16.64231
  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
