* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    141    239     421
    1     0 S   NP   _N1_     1    28.24835    96.01050   -24.51520
    2     1 S   H    _HN1     2     1.02776   111.81546  -114.24207
    3     1 S   H    _H1_     3     1.02957    82.26749    -7.51784
    4     1 S   H    _H2_     4     1.02835    25.39667   159.84856
    5     1 S   CT   _CA1     5     1.50138   126.57038   102.16605
    6     5 S   HC   _HA1     6     1.09575   105.20527    81.96194
    7     5 S   CO3  _C1_     7     1.53785   112.36219   -38.21455
    8     7 S   O2Z  _O11     8     1.26368   114.99073   -43.52059
    9     7 S   O2Z  _O12     9     1.26234   114.93327   135.53657
   10     5 S   CT   _CB1    10     1.53093   107.41728  -160.12619
   11    10 S   HC   HB11    11     1.09828   109.32590   -50.33917
   12    10 S   HC   HB12    12     1.09815   110.42854    66.21638
   13    10 S   CT   _CG1    13     1.53021   112.68190  -171.40013
   14    13 S   HC   HG11    14     1.09593   110.50420   -64.70566
   15    13 S   HC   HG12    15     1.09658   109.90511    54.49951
   16    13 S   C    _CD1    16     1.51845   112.30147   174.86882
   17    16 S   O    _OE1    17     1.22755   123.27799     1.20464
   18    16 S   N    _N2_    18     1.38555   111.72240  -178.80090
   19    18 S   H    _HN2    19     1.01553   119.07115     4.18418
   20    18 S   CT1  _CA2    20     1.45842   122.87588   177.96779
   21    20 S   HC   _HA2    21     1.09728   108.90538    24.85942
   22    20 S   C    _C2_    22     1.52971   107.01834   -92.19873
   23    22 S   O    _O2_    23     1.22993   123.04939   -25.99825
   24    20 S   CT   _CB2    32     1.53182   112.27099   148.03398
   25    24 S   HC   HB21    33     1.09595   110.23226    55.39816
   26    24 S   HC   HB22    34     1.09446   109.79706   174.29147
   27    22 S   N    _N3_    24     1.38513   112.61826   156.70837
   28    27 S   H    _HN3    25     1.01668   120.34455    -2.26053
   29    24 S   S    _SG2    35     1.82525   111.29457   -65.45385
   30    27 S   CT   _CA3    26     1.45353   122.41998   178.42269
   31    30 S   HC   HA31    27     1.09574   107.75627   -55.59367
   32    30 S   HC   HA32    28     1.09561   107.64187    60.70539
   33    29 S   CT   _C25    36     1.86051    99.62765   171.99330
   34    33 S   HC   _H3_    37     1.09888   104.03490   -56.01943
   35    30 S   CO3  _C3_    29     1.52873   114.40062  -177.61854
   36    35 S   O2Z  _O31    30     1.26318   116.09427    -4.46353
   37    35 S   O2Z  _O32    31     1.26447   114.40126   175.58088
   38    33 S   CT   _C22    38     1.56716   114.22657    62.21739
   39    38 S   OM   _O23    39     1.32768   109.83877    57.21671
   40    38 S   HC   _H37    40     1.09950   103.41982   -72.58698
   41    38 S   CA   _C21    41     1.54326   112.36564   175.22258
   42    41 S   CA   _C19    42     1.44209   120.40802   160.06221
   43    41 S   CA   _C20    68     1.41468   120.07326   -21.11233
   44    42 S   CA   _C13    43     1.41486   124.44625    -1.86676
   45    44 S   HA   _H36    44     1.08971   119.18778     0.17694
   46    43 S   CT   _C23    69     1.51063   123.02886     5.82066
   47    46 S   HC   _H38    70     1.09683   109.96245  -139.92110
   48    44 S   CA   _C15    45     1.40853   123.31369   179.97202
   49    33 S   CT   _C24    71     1.54101   110.87607  -171.00455
   50    49 S   HC   _H39    72     1.09710   110.25665   -68.07098
   51    46 S   OH   _O24    75     1.43517   108.08300   104.46453
   52    51 S   HO   _H41    76     0.97239   108.34831   -38.98212
   53    48 S   CA   _C9_    46     1.39832   119.62576   179.97202
   54    53 S   HA   _H32    47     1.08872   120.59766     0.02798
   55    48 S   CA   _C18    60     1.41076   120.48458    -0.03956
   56    49 S   OH   _O25    73     1.43064   110.86336    50.57157
   57    56 S   HO   _H42    74     0.97201   107.50655   174.96246
   58    53 S   CA   _C8_    48     1.39099   120.98471  -179.98022
   59    58 S   HA   _H31    49     1.08830   118.49529   180.00000
   60    55 S   CA   _C12    61     1.41521   116.22375    -0.02798
   61    60 S   HA   _H35    62     1.08870   119.45180  -179.94766
   62    58 S   CA   _C14    50     1.39641   120.75182    -0.00000
   63    42 S   CA   _C16    63     1.41028   119.32237   178.05670
   64    62 S   CA   _C6_    51     1.40550   119.48663   180.00000
   65    64 S   HA   _H29    52     1.08854   120.51544    -0.00000
   66    63 S   CA   _C10    64     1.39850   119.81138     0.03956
   67    66 S   HA   _H33    65     1.08830   120.66513   179.94405
   68    64 S   CA   _C4_    53     1.39143   121.02110   179.98022
   69    68 S   HA   _H27    54     1.08586   120.18047   179.98022
   70    66 S   CA   _C11    66     1.39034   120.93330     0.58517
   71    70 S   HA   _H34    67     1.08795   118.88539   178.65987
   72    68 S   CA   _C5_    55     1.38619   119.54811    -0.00000
   73    72 S   HA   _H28    56     1.08629   120.10339  -180.00000
   74    72 S   CA   _C7_    57     1.39782   119.97993     0.00000
   75    74 S   HA   _H30    58     1.08676   116.69336  -180.00000
   76    62 S   CA   _C17    59     1.41908   119.85833    -0.00000
  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
  14   8   2   1   1  12   5   4  14  13  13  10   4  10   6  11
   6   3   3   1   8   4  11   1   1   7   3   8   3   8   5   7
   4   3   2   6   3   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    49    50    56    57    51  
   38    39    40    41    46    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    44    63    70    43    46    49    50    56  
   40    41    42    43    49  
   41    42    43    49  
   42    44    45    48    60    63    66    70    71    43    46    47    49    51  
   44    45    48    53    55    60    61    63    66    67    70    43    46  
   46    47    49    50    56    51    52    44    63    66    67    70    71  
   45    48    53    54    58    76    55    60    63    66  
   48    53    55    63  
   47    49    50    56    57    51    52    66    70    71  
   49    50    56    51    52    70  
   53    54    58    59    62    74    76    55    60    61    63  
   50    56    57    51    52    70  
   56    57    51  
   52    56    70  
    0  
   54    58    59    62    64    76    55    60  
   58    59    62    55  
   60    61    63    66    58    62    64    72    74    75    76  
   57  
    0  
   59    62    64    65    68    74    76  
   62    64    76  
   61    63    66    67    70    62    74    76  
   63    66    76  
   64    65    68    69    72    74    75    76  
   66    67    70    71    76  
   65    68    69    72    73    74    76  
   68    69    72    76  
   67    70    71  
   70    71  
   69    72    73    74    75    76  
   72    73    74  
   71  
    0  
   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   0.107500   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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    49   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   469.000  1.400
   41    43   469.000  1.400
   42    44   469.000  1.400
   42    63   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    53   469.000  1.400
   48    55   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    64   469.000  1.400
   62    76   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    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   469.000  1.400
   76    55   469.000  1.400
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    43   469.000  1.400
   43    46   317.000  1.510
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    51   320.000  1.410
   49    50   340.000  1.090
   49    56   320.000  1.410
   56    57   553.000  0.945
   51    52   553.000  0.945
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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  120.00000
   38    41    43    70.00000  120.00000
   40    38    39    45.00000  125.66300
   41    38    39    85.00000  111.85700
   41    38    40    35.00000  109.50000
   41    42    44    63.00000  120.00000
   41    42    63    63.00000  120.00000
   41    43    70    63.00000  120.00000
   41    43    46    70.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    48    63.00000  120.00000
   42    63    60    63.00000  120.00000
   42    63    66    63.00000  120.00000
   44    48    53    63.00000  120.00000
   44    48    55    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    58    63.00000  120.00000
   48    55    76    63.00000  120.00000
   48    55    60    63.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    62    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    64    63.00000  120.00000
   58    62    76    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    76    74    63.00000  120.00000
   62    76    55    63.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    72    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    55    63.00000  120.00000
   76    62    64    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    55    60    63.00000  120.00000
   55    48    53    63.00000  120.00000
   55    60    61    35.00000  120.00000
   55    60    63    63.00000  120.00000
   60    63    66    63.00000  120.00000
   63    42    44    63.00000  120.00000
   63    60    61    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    43    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    43    46    70.00000  120.00000
   43    41    42    63.00000  120.00000
   43    70    71    35.00000  120.00000
   43    46    47    35.00000  109.50000
   43    46    49    70.00000  112.17500
   43    46    51    90.00000  112.51600
   46    49    50    37.50000  110.70000
   46    49    56    50.00000  109.50000
   46    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    56    57    55.00000  108.50000
   56    49    50    35.00000  109.50000
   51    46    47    35.00000  109.50000
   51    46    49    50.00000  109.50000
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   0.01700  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    41    42   0.04150 -1.0 2.0
   33    38    41    43   0.04150 -1.0 2.0
   33    49    56    57  -0.11600  1.0 1.0
   33    49    56    57  -0.09450 -1.0 2.0
   33    49    56    57   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.43200  1.0 3.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    56   0.23400  1.0 3.0
   38    33    49    46   0.56750  1.0 1.0
   38    33    49    46  -0.07550 -1.0 2.0
   38    33    49    46   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    56   0.86500  1.0 1.0
   38    33    49    56  -0.17500 -1.0 2.0
   38    33    49    56   0.20800  1.0 3.0
   38    41    42    44   3.62500 -1.0 2.0
   38    41    42    63   3.62500 -1.0 2.0
   38    41    43    70   3.62500 -1.0 2.0
   38    41   -43    46   3.62500 -1.0 2.0
   39    38    41    42   0.64500  1.0 1.0
   39    38    41    42   0.14800 -1.0 2.0
   39    38    41    42   0.20650  1.0 3.0
   39    38    41    43   0.64500  1.0 1.0
   39    38    41    43   0.14800 -1.0 2.0
   39    38    41    43   0.20650  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    42    44    45   3.62500 -1.0 2.0
   41    42    44    48   3.62500 -1.0 2.0
   41    42    63    60   3.62500 -1.0 2.0
   41    42    63    66   3.62500 -1.0 2.0
   41    43    46    47   0.00000  1.0 1.0
   41    43    46    49   0.04150 -1.0 2.0
   41    43    46    51   0.14300 -1.0 2.0
   41    43    46    51   0.00300  1.0 3.0
   42    41    43    70   3.62500 -1.0 2.0
   42    41    43    46   3.62500 -1.0 2.0
   42    44    48    53   3.62500 -1.0 2.0
   42    44    48    55   3.62500 -1.0 2.0
   42    63    66    67   3.62500 -1.0 2.0
   42    63   -66    70   3.62500 -1.0 2.0
   44    42    63    60   3.62500 -1.0 2.0
   44    42    63    66   3.62500 -1.0 2.0
   44    48    53    54   3.62500 -1.0 2.0
   44    48    53    58   3.62500 -1.0 2.0
   44    48    55    76   3.62500 -1.0 2.0
   44    48   -55    60   3.62500 -1.0 2.0
   45    44    48    53   3.62500 -1.0 2.0
   45    44    48    55   3.62500 -1.0 2.0
   48    53    58    59   3.62500 -1.0 2.0
   48    53    58    62   3.62500 -1.0 2.0
   48    55    60    61   3.62500 -1.0 2.0
   48    55    60    63   3.62500 -1.0 2.0
   53    48    55    76   3.62500 -1.0 2.0
   53    48    55    60   3.62500 -1.0 2.0
   53    58    62    64   3.62500 -1.0 2.0
   53    58   -62    76   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    76    74   3.62500 -1.0 2.0
   58    62    76    55   3.62500 -1.0 2.0
   59    58    62    64   3.62500 -1.0 2.0
   59    58    62    76   3.62500 -1.0 2.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    72   3.62500 -1.0 2.0
   62    76   -55    48   3.62500 -1.0 2.0
   62    76    55    60   3.62500 -1.0 2.0
   64    62    76    74   3.62500 -1.0 2.0
   64    62    76    55   3.62500 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68   -72    74   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    72   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72    74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74   -76    62   3.62500 -1.0 2.0
   72    74    76    55   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
   74    76    55    48   3.62500 -1.0 2.0
   74    76    55    60   3.62500 -1.0 2.0
   75    74    76    62   3.62500 -1.0 2.0
   75    74    76    55   3.62500 -1.0 2.0
   76    62    64    65   3.62500 -1.0 2.0
   76    62   -64    68   3.62500 -1.0 2.0
   76    55    60    61   3.62500 -1.0 2.0
   76    55    60    63   3.62500 -1.0 2.0
   55    48    53    54   3.62500 -1.0 2.0
   55    48   -53    58   3.62500 -1.0 2.0
   55    60   -63    42   3.62500 -1.0 2.0
   55    60    63    66   3.62500 -1.0 2.0
   60    63    66    67   3.62500 -1.0 2.0
   60    63    66    70   3.62500 -1.0 2.0
   61    60    63    42   3.62500 -1.0 2.0
   61    60    63    66   3.62500 -1.0 2.0
   63    42    44    45   3.62500 -1.0 2.0
   63    42   -44    48   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    43   3.62500 -1.0 2.0
   66    70   -43    41   3.62500 -1.0 2.0
   66    70    43    46   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    43   3.62500 -1.0 2.0
   70    43    46    47   0.00000  1.0 1.0
   70    43    46    49   0.04150 -1.0 2.0
   70    43    46    51   0.14300 -1.0 2.0
   70    43    46    51   0.00300  1.0 3.0
   71    70    43    41   3.62500 -1.0 2.0
   71    70    43    46   3.62500 -1.0 2.0
   43    41    42    44   3.62500 -1.0 2.0
   43    41   -42    63   3.62500 -1.0 2.0
   43    46   -49    33  -0.03700  1.0 1.0
   43    46   -49    33   0.37200 -1.0 2.0
   43    46   -49    33  -0.47300  1.0 3.0
   43    46    49    50   0.43200  1.0 3.0
   43    46    49    56   1.13150  1.0 1.0
   43    46    49    56  -1.01400 -1.0 2.0
   43    46    51    52   0.31900  1.0 1.0
   43    46    51    52  -0.11800 -1.0 2.0
   43    46    51    52   0.38750  1.0 3.0
   46    49    56    57  -0.11600  1.0 1.0
   46    49    56    57  -0.09450 -1.0 2.0
   46    49    56    57   0.21250  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    56   0.23400  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   49    33    38    39   0.62750  1.0 1.0
   49    33    38    39  -0.30950 -1.0 2.0
   49    33    38    39   0.27300  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41  -0.03700  1.0 1.0
   49    33   -38    41   0.37200 -1.0 2.0
   49    33   -38    41  -0.47300  1.0 3.0
   49    46    51    52  -0.11600  1.0 1.0
   49    46    51    52  -0.09450 -1.0 2.0
   49    46    51    52   0.21250  1.0 3.0
   50    49    56    57   0.19450  1.0 3.0
   51    46    49    33   0.86500  1.0 1.0
   51    46    49    33  -0.17500 -1.0 2.0
   51    46    49    33   0.20800  1.0 3.0
   51    46    49    50   0.23400  1.0 3.0
   51    46    49    56   3.75450  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   42    43    41    38   4.00000 -1.0 2.0
   44    63    42    41   4.00000 -1.0 2.0
   48    45    44    42   1.10000 -1.0 2.0
   53    55    48    44   4.00000 -1.0 2.0
   58    54    53    48   1.10000 -1.0 2.0
   62    59    58    53   1.10000 -1.0 2.0
   64    76    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    55    76    62   4.00000 -1.0 2.0
   76    60    55    48   4.00000 -1.0 2.0
   63    61    60    55   1.10000 -1.0 2.0
   60    66    63    42   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   43    71    70    66   1.10000 -1.0 2.0
   70    46    43    41   4.00000 -1.0 2.0
END
