* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    137    197     395
    1     0 S   NP   _N1_     1    28.53061    95.36698   -21.44154
    2     1 S   H    _HN1     2     1.02961    87.11814    35.11779
    3     1 S   H    _H1_     3     1.02838    34.27173   161.62759
    4     1 S   H    _H2_     4     1.02779    88.87043   -73.29916
    5     1 S   CT   _CA1     5     1.50121   144.97510   157.52434
    6     5 S   HC   _HA1     6     1.09573   105.24366    61.63676
    7     5 S   CO3  _C1_     7     1.53820   112.35921   -58.59273
    8     7 S   O2Z  _O11     8     1.26357   115.00679   -43.92052
    9     7 S   O2Z  _O12     9     1.26240   114.92479   135.20885
   10     5 S   CT   _CB1    10     1.53089   107.42453   179.56659
   11    10 S   HC   HB11    11     1.09819   109.41026   -50.45337
   12    10 S   HC   HB12    12     1.09825   110.38211    66.13189
   13    10 S   CT   _CG1    13     1.52983   112.63764  -171.58070
   14    13 S   HC   HG11    14     1.09599   110.30653   -61.85819
   15    13 S   HC   HG12    15     1.09634   110.12325    57.33456
   16    13 S   C    _CD1    16     1.51810   112.27788   177.66821
   17    16 S   O    _OE1    17     1.22717   123.24423    -7.96526
   18    16 S   N    _N2_    18     1.38571   111.55608   172.34778
   19    18 S   H    _HN2    19     1.01579   119.03764     1.47578
   20    18 S   CT1  _CA2    20     1.46235   123.56260  -176.78508
   21    20 S   HC   _HA2    21     1.09730   109.34672   -13.03816
   22    20 S   C    _C2_    22     1.53458   108.40109  -128.71247
   23    22 S   O    _O2_    23     1.23011   122.31320  -147.50052
   24    20 S   CT   _CB2    32     1.53532   111.20715   108.99870
   25    24 S   HC   HB21    33     1.09535   109.60730    54.79444
   26    24 S   HC   HB22    34     1.09510   110.21327   173.51911
   27    22 S   N    _N3_    24     1.38539   113.36199    40.03188
   28    27 S   H    _HN3    25     1.01528   118.82954    -0.92894
   29    24 S   S    _SG2    35     1.83655   111.32469   -67.22995
   30    27 S   CT   _CA3    26     1.45448   123.59507   175.17675
   31    30 S   HC   HA31    27     1.09511   109.41531    20.83504
   32    30 S   HC   HA32    28     1.09499   107.07701   137.85203
   33    29 S   CT   _C11    36     1.91492   101.39619   157.91640
   34    33 S   OM   _O33    37     1.31835   104.99071    56.48668
   35    30 S   CO3  _C3_    29     1.52905   113.00190  -102.77508
   36    35 S   O2Z  _O31    30     1.26414   115.36122   -45.69268
   37    35 S   O2Z  _O32    31     1.26350   115.01796   135.24594
   38    33 S   NT   _N4_    38     1.51950   114.06088   -65.85063
   39    33 S   S    _S1_    62     1.90303   104.75992   171.63135
   40    38 S   CT   _C5_    39     1.48335   115.26257   -32.54971
   41    40 S   HC   _H7_    40     1.09192   111.14391    54.56351
   42    40 S   HC   _H8_    41     1.09553   109.53779   164.54212
   43    38 S   CT   _C6_    46     1.51717   117.45372  -168.57326
   44    43 S   HC   _H3_    47     1.09687   107.76041    63.77474
   45    39 S   CT   _C12    63     1.82942   102.71168   -68.46564
   46    45 S   HC   _H19    64     1.09441   110.79693    53.26387
   47    45 S   HC   _H20    65     1.09544   109.86851   -65.37329
   48    40 S   CT   _C4_    42     1.52581   117.54425   -71.10785
   49    48 S   HC   _H4_    43     1.09336   112.29852   -53.75646
   50    48 S   HC   _H5_    44     1.09262   111.98922    68.92860
   51    48 S   HC   _H6_    45     1.09571   109.41959  -172.75478
   52    43 S   CT   _C7_    48     1.55256   112.11966   179.04019
   53    52 S   HC   _H9_    49     1.09533   111.49261    53.57821
   54    52 S   HC   _H10    50     1.09266   112.33713   174.56210
   55    52 S   HC   _H11    51     1.09466   111.81714   -68.03550
   56    43 S   CT   _C8_    52     1.57235   115.95873   -55.56377
   57    56 S   HC   _H12    53     1.09273   108.98773    55.45116
   58    45 S   CA   _C13    66     1.50867   110.68084   174.20079
   59    56 S   CT   _C9_    54     1.53791   112.85333   169.83899
   60    59 S   HC   _H13    55     1.09369   112.63807    73.77495
   61    59 S   HC   _H14    56     1.09612   110.03738  -167.09066
   62    59 S   HC   _H15    57     1.09481   110.94676   -48.22271
   63    56 S   CT   _C10    58     1.53315   113.26869   -65.20532
   64    63 S   HC   _H16    59     1.09493   111.63076   -69.44191
   65    63 S   HC   _H17    60     1.09350   111.99361    51.57353
   66    63 S   HC   _H18    61     1.09565   110.27617   171.36658
   67    58 S   CA   _C14    67     1.40233   120.45619   -88.93513
   68    67 S   HA   _H21    68     1.08737   120.28614    -0.63180
   69    67 S   CA   _C15    69     1.39575   120.45468   179.24153
   70    69 S   HA   _H22    70     1.08619   119.92272   179.92087
   71    69 S   CA   _C16    71     1.39374   120.06978    -0.21940
   72    71 S   HA   _H23    72     1.08611   120.01787  -179.93439
   73    71 S   CA   _C17    73     1.39377   119.96381    -0.11191
   74    73 S   HA   _H24    74     1.08620   119.99895  -179.75055
   75    58 S   CA   _C18    75     1.40221   120.54623    89.74354
   76    75 S   HA   _H25    76     1.08731   120.29933     0.63919
  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   7   5   4   3
  15   5   2   1   1  19   8  10   6   5  16   8   9   4   3   3
   2   1   1   7   3   2   1   9   8   9   7   3   2   1   3   2
   1   1   8   4   6   3   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    43    39    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    48    43    44    52    56    39    45    46    47    58  
   38    40    43    39    45  
   36    37  
   37  
    0  
   40    41    42    48    49    50    51    43    44    52    53    54    55    56    57    59    63    39    45  
   45    46    47    58    67    75    40    43  
   41    42    48    49    50    51    43    44    52    56  
   42    48    49    50    51    43  
   48    49    50    51    43  
   44    52    53    54    55    56    57    59    60    61    62    63    64    65    66    48  
   52    53    54    55    56    57    59    63  
   46    47    58    67    68    69    73    75    76  
   47    58    67    75  
   58    67    75  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    59    63  
   54    55    56  
   55    56  
   56  
   57    59    60    61    62    63    64    65    66  
   59    60    61    62    63    64    65    66  
   67    68    69    70    71    73    74    75    76  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    75    76  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76  
   73    74    75  
   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  -0.175000   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   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.162500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   382.000  1.448
   33    39   222.000  1.810
   38    40   382.000  1.448
   38    43   382.000  1.448
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   43    44   340.000  1.090
   43    52   268.000  1.529
   43    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    58   317.000  1.510
   58    67   469.000  1.400
   58    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
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    85.00000  114.68000
   29    33    38    85.00000  109.00000
   29    33    39    75.00000  118.28000
   33    38    40    51.80000  107.20000
   33    38    43    51.80000  107.20000
   33    39    45    62.00000   98.90000
   38    33    34   110.00000  105.70000
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    48    56.20000  109.47000
   38    43    44    35.00000  109.50000
   38    43    52    56.20000  109.47000
   38    43    56    56.20000  109.47000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    51    37.50000  110.70000
   42    40    41    33.00000  107.80000
   48    40    41    37.50000  110.70000
   48    40    42    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   43    38    40    51.80000  107.20000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    55    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    59    58.35000  112.70000
   43    56    63    58.35000  112.70000
   52    43    44    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    43    44    37.50000  110.70000
   56    43    52    58.35000  112.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   59    56    57    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    34    85.00000  114.68000
   39    33    38    85.00000  109.00000
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    58    80.00000  109.48900
   45    58    67    70.00000  120.00000
   45    58    75    70.00000  120.00000
   47    45    46    33.00000  107.80000
   58    45    46    35.00000  109.50000
   58    45    47    35.00000  109.50000
   58    67    68    35.00000  120.00000
   58    67    69    63.00000  120.00000
   58    75    73    63.00000  120.00000
   58    75    76    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   75    58    67    63.00000  120.00000
   75    73    74    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40   0.23200  1.0 1.0
   29    33    38    40   0.02100 -1.0 2.0
   29    33    38    40   0.24950  1.0 3.0
   29    33    38    43   0.23200  1.0 1.0
   29    33    38    43   0.02100 -1.0 2.0
   29    33    38    43   0.24950  1.0 3.0
   29    33    39    45   0.08500  1.0 1.0
   29    33    39    45  -0.53150 -1.0 2.0
   29    33    39    45   0.48050  1.0 3.0
   33    38    40    41   0.28000  1.0 3.0
   33    38    40    42   0.28000  1.0 3.0
   33    38    40    48   0.23450  1.0 1.0
   33    38    40    48   0.02050 -1.0 2.0
   33    38    40    48   0.25250  1.0 3.0
   33    38    43    44   0.28000  1.0 3.0
   33    38    43    52   0.23450  1.0 1.0
   33    38    43    52   0.02050 -1.0 2.0
   33    38    43    52   0.25250  1.0 3.0
   33    38    43    56   0.23450  1.0 1.0
   33    38    43    56   0.02050 -1.0 2.0
   33    38    43    56   0.25250  1.0 3.0
   33    39    45    46   0.32350  1.0 3.0
   33    39    45    47   0.32350  1.0 3.0
   33    39    45    58  -0.23050  1.0 1.0
   33    39    45    58   0.06200 -1.0 2.0
   33    39    45    58   0.47200  1.0 3.0
   34    33    38    40   0.23200  1.0 1.0
   34    33    38    40   0.02100 -1.0 2.0
   34    33    38    40   0.24950  1.0 3.0
   34    33    38    43   0.23200  1.0 1.0
   34    33    38    43   0.02100 -1.0 2.0
   34    33    38    43   0.24950  1.0 3.0
   34    33    39    45   0.13850  1.0 1.0
   34    33    39    45  -1.34450 -1.0 2.0
   34    33    39    45   0.57400  1.0 3.0
   38    33    39    45   0.01700  1.0 1.0
   38    33    39    45  -0.23550 -1.0 2.0
   38    33    39    45   0.21350  1.0 3.0
   38    40    48    49   0.15000  1.0 3.0
   38    40    48    50   0.15000  1.0 3.0
   38    40    48    51   0.15000  1.0 3.0
   38    43    52    53   0.15000  1.0 3.0
   38    43    52    54   0.15000  1.0 3.0
   38    43    52    55   0.15000  1.0 3.0
   38    43    56    57   0.15000  1.0 3.0
   38    43    56    59   1.53400  1.0 1.0
   38    43    56    59  -0.09950 -1.0 2.0
   38    43    56    59   0.05700  1.0 3.0
   38    43    56    63   1.53400  1.0 1.0
   38    43    56    63  -0.09950 -1.0 2.0
   38    43    56    63   0.05700  1.0 3.0
   40    38    43    44   0.28000  1.0 3.0
   40    38    43    52   0.23450  1.0 1.0
   40    38    43    52   0.02050 -1.0 2.0
   40    38    43    52   0.25250  1.0 3.0
   40    38    43    56   0.23450  1.0 1.0
   40    38    43    56   0.02050 -1.0 2.0
   40    38    43    56   0.25250  1.0 3.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    51   0.15000  1.0 3.0
   42    40    48    49   0.15000  1.0 3.0
   42    40    48    50   0.15000  1.0 3.0
   42    40    48    51   0.15000  1.0 3.0
   43    38    40    41   0.28000  1.0 3.0
   43    38    40    42   0.28000  1.0 3.0
   43    38    40    48   0.23450  1.0 1.0
   43    38    40    48   0.02050 -1.0 2.0
   43    38    40    48   0.25250  1.0 3.0
   43    56    59    60   0.15000  1.0 3.0
   43    56    59    61   0.15000  1.0 3.0
   43    56    59    62   0.15000  1.0 3.0
   43    56    63    64   0.15000  1.0 3.0
   43    56    63    65   0.15000  1.0 3.0
   43    56    63    66   0.15000  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   44    43    52    55   0.15000  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    59   0.15000  1.0 3.0
   44    43    56    63   0.15000  1.0 3.0
   52    43    56    57   0.15000  1.0 3.0
   52    43    56    59   0.56750  1.0 1.0
   52    43    56    59  -0.07550 -1.0 2.0
   52    43    56    59   0.20000  1.0 3.0
   52    43    56    63   0.56750  1.0 1.0
   52    43    56    63  -0.07550 -1.0 2.0
   52    43    56    63   0.20000  1.0 3.0
   56    43    52    53   0.15000  1.0 3.0
   56    43    52    54   0.15000  1.0 3.0
   56    43    52    55   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   59    56    63    64   0.15000  1.0 3.0
   59    56    63    65   0.15000  1.0 3.0
   59    56    63    66   0.15000  1.0 3.0
   63    56    59    60   0.15000  1.0 3.0
   63    56    59    61   0.15000  1.0 3.0
   63    56    59    62   0.15000  1.0 3.0
   39    33    38    40   0.23200  1.0 1.0
   39    33    38    40   0.02100 -1.0 2.0
   39    33    38    40   0.24950  1.0 3.0
   39    33    38    43   0.23200  1.0 1.0
   39    33    38    43   0.02100 -1.0 2.0
   39    33    38    43   0.24950  1.0 3.0
   39    45    58    67  -0.16000  1.0 1.0
   39    45    58    67  -0.03200 -1.0 2.0
   39    45    58    67   0.04500  1.0 3.0
   39    45    58    75  -0.16000  1.0 1.0
   39    45    58    75  -0.03200 -1.0 2.0
   39    45    58    75   0.04500  1.0 3.0
   45    58    67    68   3.62500 -1.0 2.0
   45    58    67    69   3.62500 -1.0 2.0
   45    58    75    73   3.62500 -1.0 2.0
   45    58    75    76   3.62500 -1.0 2.0
   46    45    58    67   0.00000  1.0 1.0
   46    45    58    75   0.00000  1.0 1.0
   47    45    58    67   0.00000  1.0 1.0
   47    45    58    75   0.00000  1.0 1.0
   58    67    69    70   3.62500 -1.0 2.0
   58    67    69    71   3.62500 -1.0 2.0
   67    58    75    73   3.62500 -1.0 2.0
   67    58    75    76   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    58   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   74    73    75    58   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    58    67    68   3.62500 -1.0 2.0
   75    58   -67    69   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
   67    75    58    45   4.00000 -1.0 2.0
   69    68    67    58   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    58   1.10000 -1.0 2.0
END
