* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    126    211     374
    1     0 S   NP   _N1_     1    30.54688    97.11595   -19.97809
    2     1 S   H    _HN1     2     1.02860   107.22727  -149.37444
    3     1 S   H    _H1_     3     1.02945     7.40345   115.47116
    4     1 S   H    _H2_     4     1.03017   113.89510    90.46693
    5     1 S   CT   _CA1     5     1.50483   103.65087   -30.80837
    6     5 S   HC   _HA1     6     1.09634   104.41247    76.18592
    7     5 S   CO3  _C1_     7     1.54515   111.91342   -39.15528
    8     7 S   O2Z  _O11     8     1.26066   116.66183  -141.57916
    9     7 S   O2Z  _O12     9     1.26641   114.04911    38.71245
   10     5 S   CT   _CB1    10     1.53171   107.12719  -166.89840
   11    10 S   HC   HB11    11     1.09663   110.26965   -29.27179
   12    10 S   HC   HB12    12     1.09772   110.35831    87.10319
   13    10 S   CT   _CG1    13     1.53044   112.15994  -150.26661
   14    13 S   HC   HG11    14     1.09507   111.22955   -52.92240
   15    13 S   HC   HG12    15     1.09658   110.33087    65.86730
   16    13 S   C    _CD1    16     1.51465   111.43320  -173.36576
   17    16 S   O    _OE1    17     1.22869   121.79481   111.78504
   18    16 S   N    _N2_    18     1.38312   113.17618   -68.39463
   19    18 S   H    _HN2    19     1.01593   119.61478     0.33455
   20    18 S   CT1  _CA2    20     1.46057   122.85049   179.68721
   21    20 S   HC   _HA2    21     1.09694   108.14705    32.65701
   22    20 S   C    _C2_    22     1.53272   108.96153   -84.00551
   23    22 S   O    _O2_    23     1.23082   121.27892   155.90538
   24    20 S   CT   _CB2    32     1.53569   112.64563   155.21100
   25    24 S   HC   HB21    33     1.09232   110.53920    75.27062
   26    24 S   HC   HB22    34     1.09631   109.19640  -168.77237
   27    22 S   N    _N3_    24     1.38317   114.17908   -31.09237
   28    27 S   H    _HN3    25     1.01591   119.19169     3.12813
   29    24 S   S    _SG2    35     1.83454   111.62504   -50.19026
   30    27 S   CT   _CA3    26     1.45182   123.59568  -177.86247
   31    30 S   HC   HA31    27     1.09545   108.15098   -49.13086
   32    30 S   HC   HA32    28     1.09547   107.34194    67.30654
   33    29 S   CT   _C11    36     1.86796   103.49595   129.53774
   34    33 S   OM   _O40    37     1.31421   112.87413    48.82112
   35    30 S   CO3  _C3_    29     1.53073   114.04815  -171.06174
   36    35 S   O2Z  _O31    30     1.26404   116.22996     7.42444
   37    35 S   O2Z  _O32    31     1.26450   114.38263  -172.70892
   38    33 S   CM   _C12    38     1.54251   111.11596   170.93625
   39    38 S   CM   _C14    39     1.36471   130.58077   -32.85109
   40    38 S   CO4  _C13    57     1.49911   112.71974   143.79331
   41    40 S   O    _O34    58     1.22358   123.95152   125.04023
   42    39 S   CM   _C19    40     1.47121   126.61342    -8.95166
   43    40 S   CA   _C8_    59     1.46209   115.53149   -52.33023
   44    42 S   CM   _C18    41     1.34775   119.49297   132.50992
   45    43 S   CA   _C9_    60     1.38172   118.24503    38.62478
   46    44 S   CM   _C17    42     1.46404   119.50743     5.18168
   47    44 S   CO4  _C23    49     1.48494   119.07341  -177.57295
   48    47 S   O    _O36    50     1.22770   122.44082  -174.78568
   49    45 S   CA   _C4_    61     1.40530   119.96441   177.41290
   50    49 S   HA   _H3_    62     1.08980   118.52798  -178.70246
   51    33 S   CO4  _C10    70     1.55735   104.32233   -66.97842
   52    51 S   O    _O33    71     1.23225   124.31335    67.03719
   53    46 S   CM   _C16    43     1.34000   121.36915    16.50418
   54    53 S   HC   _H5_    44     1.08300   122.68706   174.23313
   55    46 S   OH   _O38    47     1.38190   119.16189  -167.77055
   56    55 S   HO   _H7_    48     0.97321   109.10200    -1.63865
   57    47 S   CM   _C22    51     1.47275   117.69120     7.41725
   58    57 S   HC   _H6_    52     1.08762   115.18961   168.51206
   59    49 S   CA   _C5_    63     1.41207   123.13880     0.75744
   60    59 S   OM   _O42    64     1.27670   122.52620   179.91377
   61    39 S   CO4  _C15    45     1.51379   119.55134   157.20817
   62    61 S   O    _O39    46     1.22158   126.28823    53.90255
   63    57 S   CMA  _C21    53     1.34182   124.72438   -13.02942
   64    63 S   OM   _O37    54     1.26203   129.14005  -178.65317
   65    59 S   CA   _C6_    65     1.41356   114.53372    -0.59610
   66    65 S   HA   _H4_    66     1.09153   118.97717  -179.69162
   67    42 S   CO4  _C20    55     1.49747   120.16225   -56.42265
   68    67 S   O    _O35    56     1.23110   119.76322   -19.77766
   69    43 S   CA   _C7_    67     1.39080   122.34604  -144.05401
   70    69 S   OH   _O41    68     1.36825   122.90267     2.29635
   71    70 S   HO   _H8_    69     0.97414   108.97874    -4.90409
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1  14  15  10   3  13  11  13   9  10   8   3
   8   4   3   1   5   3   2   1   5   3   5   3   2   1   3   2
   4   2   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    51    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    61    40    41    43    45    49    51    52  
   38    39    40    45    51    52  
   36    37  
   37  
    0  
   39    42    44    53    61    62    67    40    41    43    45    69    51    52  
   42    44    46    53    54    61    62    47    63    67    68    40    41    43    51  
   41    43    45    49    65    69    70    51    42    61  
   43    45    69  
   44    46    53    61    62    55    47    48    57    63    64    67    68  
   45    49    50    59    65    66    69    70    71    51    52  
   46    53    54    61    55    56    47    48    57    58    63    67    68  
   49    50    59    60    65    69    70    51    52  
   53    54    61    62    55    56    47    48    57    67  
   48    57    58    63    64    67    53    55  
   57    58    63  
   50    59    60    65    66    69    51    52  
   59    60    65    51  
   52    59    69  
    0  
   54    61    62    55    56  
   61    62    55  
   56    61  
    0  
   58    63    64    67    68  
   63    64    67  
   60    65    66    69    70  
   65    66    69  
   62    67  
    0  
   64    67    68  
   67    68  
   66    69    70    71  
   69    70  
   68  
    0  
   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  -0.175000   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  -0.012500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   64   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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    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   317.000  1.510
   33    51   317.000  1.522
   38    39   549.000  1.340
   38    40   320.000  1.462
   39    42   380.000  1.444
   39    61   320.000  1.462
   42    44   549.000  1.340
   42    67   320.000  1.462
   44    46   380.000  1.444
   44    47   320.000  1.462
   46    53   549.000  1.340
   46    55   510.000  1.338
   53    54   340.000  1.080
   53    61   320.000  1.462
   61    62   570.000  1.229
   55    56   553.000  0.945
   47    48   570.000  1.229
   47    57   320.000  1.462
   57    58   340.000  1.080
   57    63   465.000  1.376
   63    64   745.000  1.250
   63    67   270.000  1.476
   67    68   570.000  1.229
   40    41   570.000  1.229
   40    43   310.000  1.470
   43    45   469.000  1.400
   43    69   469.000  1.400
   45    49   469.000  1.400
   45    51   310.000  1.470
   49    50   367.000  1.080
   49    59   469.000  1.400
   59    60   450.000  1.364
   59    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   450.000  1.364
   70    71   553.000  0.945
   51    52   570.000  1.229
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    75.00000  112.20000
   29    33    51    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  116.34900
   33    51    45    65.00000  115.47100
   33    51    52    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    39    42    70.00000  123.01800
   38    39    61    65.00000  118.96000
   38    40    41    80.00000  123.72100
   38    40    43    65.00000  117.02400
   39    42    44    70.00000  123.01800
   39    42    67    65.00000  118.96000
   39    61    53    65.00000  118.65900
   39    61    62    80.00000  123.72100
   42    44    46    70.00000  123.01800
   42    44    47    65.00000  118.96000
   42    67    63    65.00000  118.65900
   42    67    68    80.00000  123.72100
   44    46    53    70.00000  123.01800
   44    46    55    80.00000  121.38400
   44    47    48    80.00000  123.72100
   44    47    57    65.00000  118.65900
   46    53    54    35.00000  120.00000
   46    53    61    65.00000  118.96000
   46    55    56    70.00000  107.45700
   53    61    62    80.00000  123.72100
   61    39    42    65.00000  118.96000
   61    53    54    40.00000  117.72500
   55    46    53    80.00000  121.38400
   47    44    46    65.00000  118.96000
   47    57    58    40.00000  117.72500
   47    57    63    60.00000  125.92000
   57    47    48    80.00000  123.72100
   57    63    64    65.00000  137.10300
   57    63    67    65.00000  114.61000
   63    57    58    40.00000  120.50800
   63    67    68    80.00000  120.81000
   67    42    44    65.00000  118.96000
   67    63    64    85.00000  116.28000
   40    38    39    65.00000  118.96000
   40    43    45    60.00000  119.52600
   40    43    69    60.00000  119.52600
   43    40    41    75.00000  123.78400
   43    45    49    63.00000  120.00000
   43    45    51    60.00000  119.52600
   43    69    65    63.00000  120.00000
   43    69    70    70.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    59    63.00000  120.00000
   45    51    52    75.00000  123.78400
   49    59    60    70.00000  120.00000
   49    59    65    63.00000  120.00000
   59    49    50    35.00000  120.00000
   59    65    66    35.00000  120.00000
   59    65    69    63.00000  120.00000
   65    59    60    70.00000  120.00000
   65    69    70    70.00000  120.00000
   69    43    45    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    71    35.00000  113.00000
   51    33    34    90.00000  108.74100
   51    33    38    70.00000  109.06800
   51    45    49    60.00000  119.52600
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    51    45   0.65300  1.0 1.0
   29    33    51    45  -0.03850 -1.0 2.0
   29    33    51    45   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    61   7.00000 -1.0 2.0
   33    38    40    41  -0.64400  1.0 1.0
   33    38    40    41   0.26850 -1.0 2.0
   33    38    40    43   1.50000 -1.0 2.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    51    45   0.65300  1.0 1.0
   34    33    51    45  -0.03850 -1.0 2.0
   34    33    51    45   0.33900  1.0 3.0
   34    33    51    52   0.30150 -1.0 2.0
   38    33    51    45   0.65300  1.0 1.0
   38    33    51    45  -0.03850 -1.0 2.0
   38    33    51    45   0.33900  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38    39    42    44   0.28850  1.0 1.0
   38    39    42    44   2.61350 -1.0 2.0
   38    39    42    44   0.78400  1.0 3.0
   38    39    42    67  -0.18600  1.0 3.0
   38    39    61    53  -1.18350  1.0 1.0
   38    39    61    53   1.45950 -1.0 2.0
   38    39    61    62   1.00000 -1.0 2.0
   38    40   -43    45  -0.11500  1.0 1.0
   38    40   -43    45   1.10450 -1.0 2.0
   38    40   -43    45  -0.48050  1.0 3.0
   38    40    43    69  -0.11500  1.0 1.0
   38    40    43    69   1.10450 -1.0 2.0
   38    40    43    69  -0.48050  1.0 3.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    43  -1.65800  1.0 1.0
   39    38    40    43   0.77650 -1.0 2.0
   39    42    44    46   7.00000 -1.0 2.0
   39    42    44    47   7.00000 -1.0 2.0
   39    42    67    63  -1.18350  1.0 1.0
   39    42    67    63   1.45950 -1.0 2.0
   39    42    67    68   1.00000 -1.0 2.0
   42    39    61    53  -1.18350  1.0 1.0
   42    39    61    53   1.45950 -1.0 2.0
   42    39    61    62   1.00000 -1.0 2.0
   42    44   -46    53   0.28850  1.0 1.0
   42    44   -46    53   2.61350 -1.0 2.0
   42    44   -46    53   0.78400  1.0 3.0
   42    44    46    55   0.50950  1.0 1.0
   42    44    46    55   0.56650 -1.0 2.0
   42    44    46    55   0.34050  1.0 3.0
   42    44    47    48   1.00000 -1.0 2.0
   42    44    47    57  -1.18350  1.0 1.0
   42    44    47    57   1.45950 -1.0 2.0
   44    42    67    63  -1.18350  1.0 1.0
   44    42    67    63   1.45950 -1.0 2.0
   44    42    67    68   1.00000 -1.0 2.0
   44    46    53    54   7.00000 -1.0 2.0
   44    46    53    61   7.00000 -1.0 2.0
   44    46    55    56  -0.66100  1.0 1.0
   44    46    55    56   1.20850 -1.0 2.0
   44    46    55    56  -0.36000  1.0 3.0
   44    47    57    58   0.93700 -1.0 2.0
   44    47   -57    63  -1.18350  1.0 1.0
   44    47   -57    63   1.45950 -1.0 2.0
   46    44    47    48   1.00000 -1.0 2.0
   46    44    47    57  -1.18350  1.0 1.0
   46    44    47    57   1.45950 -1.0 2.0
   46    53   -61    39  -1.18350  1.0 1.0
   46    53   -61    39   1.45950 -1.0 2.0
   46    53    61    62   1.00000 -1.0 2.0
   53    46    55    56  -0.66100  1.0 1.0
   53    46    55    56   1.20850 -1.0 2.0
   53    46    55    56  -0.36000  1.0 3.0
   54    53    61    39   0.93700 -1.0 2.0
   54    53    61    62   0.00000  1.0 1.0
   61    39   -42    44  -0.18600  1.0 3.0
   61    39    42    67   1.08500 -1.0 2.0
   55    46    53    54   7.00000 -1.0 2.0
   55    46    53    61   7.00000 -1.0 2.0
   47    44    46    53  -0.18600  1.0 3.0
   47    44    46    55   1.08500 -1.0 2.0
   47    57    63    64   7.00000 -1.0 2.0
   47    57    63    67   7.00000 -1.0 2.0
   48    47    57    58   0.00000  1.0 1.0
   48    47    57    63   1.00000 -1.0 2.0
   57    63   -67    42  -1.18350  1.0 1.0
   57    63   -67    42   1.45950 -1.0 2.0
   57    63    67    68   1.00000 -1.0 2.0
   58    57    63    64   7.00000 -1.0 2.0
   58    57    63    67   7.00000 -1.0 2.0
   64    63    67    42   1.50000 -1.0 2.0
   64    63    67    68  -0.11900  1.0 1.0
   64    63    67    68   0.76850 -1.0 2.0
   64    63    67    68   0.14100  1.0 3.0
   67    42    44    46   7.00000 -1.0 2.0
   67    42   -44    47   7.00000 -1.0 2.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    61   7.00000 -1.0 2.0
   40    43    45    49   3.62500 -1.0 2.0
   40    43    45    51   3.62500 -1.0 2.0
   40    43    69    65   3.62500 -1.0 2.0
   40    43    69    70   3.62500 -1.0 2.0
   41    40    43    45   1.05000 -1.0 2.0
   41    40    43    69   1.05000 -1.0 2.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    59   3.62500 -1.0 2.0
   43    45   -51    33   2.26350  1.0 1.0
   43    45   -51    33   0.76750 -1.0 2.0
   43    45   -51    33   0.22500  1.0 3.0
   43    45    51    52   1.05000 -1.0 2.0
   43    69    70    71   0.84100 -1.0 2.0
   45    43    69    65   3.62500 -1.0 2.0
   45    43    69    70   3.62500 -1.0 2.0
   45    49    59    60   3.62500 -1.0 2.0
   45    49   -59    65   3.62500 -1.0 2.0
   49    45    51    33   2.26350  1.0 1.0
   49    45    51    33   0.76750 -1.0 2.0
   49    45    51    33   0.22500  1.0 3.0
   49    45    51    52   1.05000 -1.0 2.0
   49    59    65    66   3.62500 -1.0 2.0
   49    59    65    69   3.62500 -1.0 2.0
   50    49    59    60   3.62500 -1.0 2.0
   50    49    59    65   3.62500 -1.0 2.0
   59    65   -69    43   3.62500 -1.0 2.0
   59    65    69    70   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   60    59    65    69   3.62500 -1.0 2.0
   65    69    70    71   0.84100 -1.0 2.0
   66    65    69    43   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   69    43   -45    49   3.62500 -1.0 2.0
   69    43    45    51   3.62500 -1.0 2.0
   51    33    38    39  -0.51250  1.0 1.0
   51    33    38    39  -0.88800 -1.0 2.0
   51    33    38    39   0.08850  1.0 3.0
   51    33   -38    40   0.09700  1.0 1.0
   51    33   -38    40   0.15600 -1.0 2.0
   51    33   -38    40  -0.50800  1.0 3.0
   51    45    49    50   3.62500 -1.0 2.0
   51    45    49    59   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
   33    40    38    39   1.10000 -1.0 2.0
   42    61    39    38   1.10000 -1.0 2.0
   39    67    42    44   1.10000 -1.0 2.0
   46    47    44    42   1.10000 -1.0 2.0
   44    55    46    53   1.10000 -1.0 2.0
   61    54    53    46   1.10000 -1.0 2.0
   39    53    61    62  10.50000 -1.0 2.0
   44    57    47    48  10.50000 -1.0 2.0
   47    58    57    63   1.10000 -1.0 2.0
   67    64    63    57   1.10000 -1.0 2.0
   42    63    67    68  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   45    69    43    40   4.00000 -1.0 2.0
   49    51    45    43   4.00000 -1.0 2.0
   59    50    49    45   1.10000 -1.0 2.0
   65    60    59    49   4.00000 -1.0 2.0
   69    66    65    59   1.10000 -1.0 2.0
   65    70    69    43   4.00000 -1.0 2.0
   33    45    51    52  10.50000 -1.0 2.0
END
