* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    129    213     381
    1     0 S   NP   _N1_     1    28.70328    94.54837   -20.52201
    2     1 S   H    _HN1     2     1.02777    85.40157   -89.76831
    3     1 S   H    _H1_     3     1.02958    91.45189    18.51051
    4     1 S   H    _H2_     4     1.02836    33.80030   137.83799
    5     1 S   CT   _CA1     5     1.50164   144.24433   147.66859
    6     5 S   HC   _HA1     6     1.09571   105.20750    53.47806
    7     5 S   CO3  _C1_     7     1.53814   112.19349   -66.71338
    8     7 S   O2Z  _O11     8     1.26377   114.98824   -45.25344
    9     7 S   O2Z  _O12     9     1.26210   114.88828   133.51403
   10     5 S   CT   _CB1    10     1.53056   107.38428   171.39011
   11    10 S   HC   HB11    11     1.09829   109.43231   -49.28230
   12    10 S   HC   HB12    12     1.09822   110.36726    67.28002
   13    10 S   CT   _CG1    13     1.53033   112.72771  -170.31915
   14    13 S   HC   HG11    14     1.09611   110.43022   -62.36917
   15    13 S   HC   HG12    15     1.09635   110.06210    56.92553
   16    13 S   C    _CD1    16     1.51856   112.08657   177.30296
   17    16 S   O    _OE1    17     1.22749   123.20197    -2.44984
   18    16 S   N    _N2_    18     1.38605   111.76169   177.33839
   19    18 S   H    _HN2    19     1.01601   119.07844     1.93482
   20    18 S   CT1  _CA2    20     1.46393   123.33949  -176.05330
   21    20 S   HC   _HA2    21     1.09725   109.40554    -9.13353
   22    20 S   C    _C2_    22     1.53370   108.85165  -125.13718
   23    22 S   O    _O2_    23     1.23034   122.12588  -148.14760
   24    20 S   CT   _CB2    32     1.53612   110.97087   112.65238
   25    24 S   HC   HB21    33     1.09312   108.35779    57.77349
   26    24 S   HC   HB22    34     1.09464   110.70663   176.55633
   27    22 S   N    _N3_    24     1.38473   113.47669    39.36514
   28    27 S   H    _HN3    25     1.01523   118.85869    -1.00503
   29    24 S   S    _SG2    35     1.82832   110.72818   -63.27522
   30    27 S   CT   _CA3    26     1.45444   123.55310   175.07745
   31    30 S   HC   HA31    27     1.09516   109.36452    22.03471
   32    30 S   HC   HA32    28     1.09500   107.10057   139.05116
   33    29 S   CT   _C20    36     1.85357   102.68843   165.87417
   34    30 S   CO3  _C3_    29     1.52909   112.98894  -101.52837
   35    34 S   O2Z  _O31    30     1.26411   115.34711   -46.03690
   36    34 S   O2Z  _O32    31     1.26346   115.01991   134.86838
   37    33 S   CA   _C12    37     1.50698   111.27709    69.18187
   38    33 S   CO4  _C17    67     1.51839   107.30105  -163.11013
   39    38 S   O    _O21    68     1.22493   125.51233  -109.13526
   40    37 S   CA   _C11    38     1.40251   110.55974  -114.52153
   41    40 S   CA   _C7_    39     1.39171   121.11046   177.13010
   42    41 S   HA   _H28    40     1.08614   120.30088  -178.63570
   43    40 S   CT   _C19    51     1.50970   111.72222    -1.32131
   44    43 S   HC   _H30    52     1.09655   108.74620   110.53836
   45    41 S   CA   _C13    41     1.40102   119.26180     1.46714
   46    33 S   CM   _C18    53     1.52982   112.76586   -48.00209
   47    43 S   NT   _N19    69     1.46172   111.00584  -127.98377
   48    47 S   H    _H34    70     1.01818   109.53035   -72.25218
   49    47 S   H    _H35    71     1.02149   108.36649   172.61435
   50    45 S   CA   _C8_    42     1.40636   119.59757    -1.77927
   51    50 S   HA   _H29    43     1.08752   119.45342  -178.42990
   52    45 S   CT   _C21    47     1.50007   120.19752  -178.85312
   53    52 S   HC   _H31    48     1.09431   109.98458    89.30769
   54    52 S   HC   _H32    49     1.09508   110.88637  -150.18044
   55    52 S   HC   _H33    50     1.09511   110.92894   -31.17798
   56    46 S   CMA  _C16    54     1.36309   125.89080   -75.39609
   57    56 S   OM   _O20    55     1.26721   126.76394   177.89978
   58    37 S   CA   _C15    44     1.38834   129.67289    62.56545
   59    56 S   CA   _C10    56     1.52201   113.11407    -4.85567
   60    58 S   OH   _O23    45     1.36434   119.86639     1.54256
   61    60 S   HO   _H37    46     0.97188   108.84793   178.83332
   62    59 S   CA   _C9_    57     1.41177   120.01856   -23.55297
   63    62 S   CA   _C5_    58     1.40020   122.55779  -174.78117
   64    63 S   HA   _H26    59     1.08645   121.04406  -179.24411
   65    63 S   CA   _C4_    60     1.39041   119.45741    -1.35118
   66    65 S   HA   _H25    61     1.08602   120.19039  -178.95395
   67    65 S   CA   _C6_    62     1.39194   119.81514     0.00000
   68    67 S   HA   _H27    63     1.08720   119.61573  -179.14705
   69    59 S   CA   _C14    64     1.41101   123.75738   160.43753
   70    69 S   OH   _O22    65     1.37212   122.79484    -4.58864
   71    70 S   HO   _H36    66     0.97526   107.38223     5.64997
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  17  12   4  14  13   4  10   5   8   9   3   1
   1   8   3   4   2   1   1   7   3   2   9   1   1   7   6   3
   5   3   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    58    43    46    56    62    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    50    58    60    43    44    46    56    57    59    62    63    38    39    47  
   35    36  
   36  
    0  
   40    41    42    45    50    51    58    60    61    43    44    46    56    62    38    39    47  
   39    40    43    46    56    58    59    62    63    64    65    69  
   46    59    62    63  
   41    42    45    50    58    60    52    43    44    46    56    47    48    49  
   42    45    50    51    58    52    53    54    55    43    44    46    47  
   45    50    52    43  
   44    46    56    57    59    47    48    49    45    58  
   46    56    47    48    49  
   50    51    58    60    52    53    54    55  
   56    57    59    62    69    47    48    49    58  
   48    49    56  
   49  
    0  
   51    58    60    61    52    53    54    55  
   58    60    52  
   53    54    55    58  
   54    55  
   55  
    0  
   57    59    62    63    67    69    70  
   59    62    69  
   60    61  
   62    63    64    65    67    68    69    70    71  
   61  
    0  
   63    64    65    66    67    69    70  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70  
   67    68    69  
   68    69    70    71  
   69    70  
   70    71  
   71  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.235000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.065000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    46   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    58   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   317.000  1.510
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    60   450.000  1.364
   60    61   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    47   382.000  1.448
   46    56   465.000  1.376
   56    57   745.000  1.250
   56    59   320.000  1.460
   59    62   469.000  1.400
   59    69   469.000  1.400
   62    63   469.000  1.400
   62    38   310.000  1.470
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   450.000  1.364
   70    71   553.000  0.945
   38    39   570.000  1.229
   47    48   434.000  1.010
   47    49   434.000  1.010
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    46    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    46    43    65.00000  117.92700
   33    46    56    70.00000  124.00000
   33    38    62    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    58    50    63.00000  120.00000
   37    58    60    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.99600
   40    43    47    75.00000  112.33000
   41    45    50    63.00000  120.00000
   41    45    52    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   50    58    60    70.00000  120.00000
   58    37    40    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    60    61    35.00000  113.00000
   52    45    50    70.00000  120.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   43    40    41    70.00000  120.00000
   43    46    56    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   46    33    37    70.00000  112.99600
   46    43    44    35.00000  109.50000
   46    56    57    65.00000  137.10300
   46    56    59    60.00000  123.20500
   56    59    62    60.00000  120.93500
   56    59    69    60.00000  120.93500
   59    56    57    85.00000  114.86500
   59    62    63    63.00000  120.00000
   59    62    38    60.00000  119.52600
   59    69    67    63.00000  120.00000
   59    69    70    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    38    39    75.00000  123.78400
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    70.00000  120.00000
   69    59    62    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    46    70.00000  109.06800
   38    62    63    60.00000  119.52600
   47    43    44    35.00000  109.50000
   47    43    46    75.00000  110.70900
   49    47    48    43.60000  106.40000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    46    43   0.30250  1.0 1.0
   29    33    46    43  -0.14950 -1.0 2.0
   29    33    46    43   0.36900  1.0 3.0
   29    33    46    56   0.42700  1.0 1.0
   29    33    46    56  -0.70350 -1.0 2.0
   29    33    46    56  -0.43150  1.0 3.0
   29    33    38    62   0.65300  1.0 1.0
   29    33    38    62  -0.03850 -1.0 2.0
   29    33    38    62   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37   -40    43   3.62500 -1.0 2.0
   33    37    58    50   3.62500 -1.0 2.0
   33    37    58    60   3.62500 -1.0 2.0
   33    46    56    57   7.00000 -1.0 2.0
   33    46    56    59   7.00000 -1.0 2.0
   37    33   -46    43   0.09700  1.0 1.0
   37    33   -46    43   0.15600 -1.0 2.0
   37    33   -46    43  -0.50800  1.0 3.0
   37    33    46    56   1.44450  1.0 1.0
   37    33    46    56   0.06600 -1.0 2.0
   37    33    46    56   0.29250  1.0 3.0
   37    33    38    62   0.65300  1.0 1.0
   37    33    38    62  -0.03850 -1.0 2.0
   37    33    38    62   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.18050 -1.0 2.0
   37    40    43    47   0.18550 -1.0 2.0
   37    40    43    47   0.14000  1.0 3.0
   37    58    60    61   0.84100 -1.0 2.0
   40    37    58    50   3.62500 -1.0 2.0
   40    37    58    60   3.62500 -1.0 2.0
   40    41   -45    50   3.62500 -1.0 2.0
   40    41    45    52   3.62500 -1.0 2.0
   40    43   -46    33   0.09700  1.0 1.0
   40    43   -46    33   0.15600 -1.0 2.0
   40    43   -46    33  -0.50800  1.0 3.0
   40    43    46    56   1.44450  1.0 1.0
   40    43    46    56   0.06600 -1.0 2.0
   40    43    46    56   0.29250  1.0 3.0
   40    43    47    48   0.76500  1.0 1.0
   40    43    47    48   0.05700 -1.0 2.0
   40    43    47    48  -0.90900  1.0 3.0
   40    43    47    49   0.76500  1.0 1.0
   40    43    47    49   0.05700 -1.0 2.0
   40    43    47    49  -0.90900  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.18050 -1.0 2.0
   41    40    43    47   0.18550 -1.0 2.0
   41    40    43    47   0.14000  1.0 3.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    58   3.62500 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    54   0.00000  1.0 1.0
   41    45    52    55   0.00000  1.0 1.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50   -58    37   3.62500 -1.0 2.0
   45    50    58    60   3.62500 -1.0 2.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    54   0.00000  1.0 1.0
   50    45    52    55   0.00000  1.0 1.0
   50    58    60    61   0.84100 -1.0 2.0
   51    50    58    37   3.62500 -1.0 2.0
   51    50    58    60   3.62500 -1.0 2.0
   58    37   -40    41   3.62500 -1.0 2.0
   58    37    40    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    58   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46    56    57   7.00000 -1.0 2.0
   43    46    56    59   7.00000 -1.0 2.0
   44    43    46    33   0.34800  1.0 3.0
   44    43    46    56   0.00000  1.0 1.0
   44    43    47    48   0.20000  1.0 3.0
   44    43    47    49   0.20000  1.0 3.0
   46    33   -37    40   0.18050 -1.0 2.0
   46    33    37    58   0.18050 -1.0 2.0
   46    33    38    62   0.65300  1.0 1.0
   46    33    38    62  -0.03850 -1.0 2.0
   46    33    38    62   0.33900  1.0 3.0
   46    33    38    39   0.30150 -1.0 2.0
   46    43    47    48   0.12450  1.0 1.0
   46    43    47    48  -0.40750 -1.0 2.0
   46    43    47    48   0.30300  1.0 3.0
   46    43    47    49   0.12450  1.0 1.0
   46    43    47    49  -0.40750 -1.0 2.0
   46    43    47    49   0.30300  1.0 3.0
   46    56   -59    62   0.15800  1.0 1.0
   46    56   -59    62   1.85350 -1.0 2.0
   46    56   -59    62  -0.48700  1.0 3.0
   46    56    59    69   0.15800  1.0 1.0
   46    56    59    69   1.85350 -1.0 2.0
   46    56    59    69  -0.48700  1.0 3.0
   56    59    62    63   3.62500 -1.0 2.0
   56    59    62    38   3.62500 -1.0 2.0
   56    59    69    67   3.62500 -1.0 2.0
   56    59    69    70   3.62500 -1.0 2.0
   57    56    59    62  -0.01750  1.0 1.0
   57    56    59    62  -0.32000 -1.0 2.0
   57    56    59    62   0.00600  1.0 3.0
   57    56    59    69  -0.01750  1.0 1.0
   57    56    59    69  -0.32000 -1.0 2.0
   57    56    59    69   0.00600  1.0 3.0
   59    62    63    64   3.62500 -1.0 2.0
   59    62    63    65   3.62500 -1.0 2.0
   59    62   -38    33   2.26350  1.0 1.0
   59    62   -38    33   0.76750 -1.0 2.0
   59    62   -38    33   0.22500  1.0 3.0
   59    62    38    39   1.05000 -1.0 2.0
   59    69    70    71   0.84100 -1.0 2.0
   62    59    69    67   3.62500 -1.0 2.0
   62    59    69    70   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63   -65    67   3.62500 -1.0 2.0
   63    62    38    33   2.26350  1.0 1.0
   63    62    38    33   0.76750 -1.0 2.0
   63    62    38    33   0.22500  1.0 3.0
   63    62    38    39   1.05000 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67   -69    59   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    70    71   0.84100 -1.0 2.0
   68    67    69    59   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   69    59   -62    63   3.62500 -1.0 2.0
   69    59    62    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    58   0.04300 -1.0 2.0
   38    33    46    43   0.17250  1.0 1.0
   38    33    46    43  -0.04100 -1.0 2.0
   38    33    46    43  -0.33850  1.0 3.0
   38    33   -46    56  -0.51250  1.0 1.0
   38    33   -46    56  -0.88800 -1.0 2.0
   38    33   -46    56   0.08850  1.0 3.0
   38    62    63    64   3.62500 -1.0 2.0
   38    62    63    65   3.62500 -1.0 2.0
   47    43    46    33   0.52100  1.0 1.0
   47    43    46    33  -0.20350 -1.0 2.0
   47    43    46    33   0.29750  1.0 3.0
   47    43    46    56   0.90200  1.0 1.0
   47    43    46    56   0.57900 -1.0 2.0
   47    43    46    56  -0.62100  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   40    58    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   50    60    58    37   4.00000 -1.0 2.0
   33    43    46    56   1.10000 -1.0 2.0
   59    57    56    46   1.10000 -1.0 2.0
   62    69    59    56   4.00000 -1.0 2.0
   63    38    62    59   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   67    70    69    59   4.00000 -1.0 2.0
   33    62    38    39  10.50000 -1.0 2.0
END
