* LIGAND DATABASE FILE (OPLS2005)
*
001      62    64    114    190     342
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02041   105.49076   -29.07330
    3     1 S   H    _H1_     3     1.02043    65.12991    74.68461
    4     1 S   H    _H2_     4     1.02107    47.43403  -130.42982
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.88457    96.17982   161.87276
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C9_    37     1.51070   105.09071   -80.03425
   38    33 S   CT   _C13    49     1.55945   113.57157   172.33958
   39    38 S   HC   _H24    50     1.10523   109.98436  -177.16648
   40    37 S   CA   _C7_    38     1.38423   129.27493    84.98046
   41    40 S   HA   _H21    39     1.08485   121.33395     4.64924
   42    38 S   CM   _C10    51     1.48531   113.20248   -61.47380
   43    42 S   HC   _H22    52     1.08397   120.22448   151.24042
   44    40 S   CA   _C5_    40     1.39870   118.19446  -174.03162
   45    44 S   HA   _H19    41     1.08718   119.54387   179.77015
   46    42 S   CM   _C11    53     1.34497   119.01911   -33.35857
   47    46 S   HC   _H23    54     1.08702   118.93604  -177.89708
   48    44 S   CA   _C4_    42     1.40913   121.09030     0.48254
   49    48 S   HA   _H18    43     1.08713   119.38541   179.81655
   50    46 S   CT   _C14    55     1.52161   123.69822     4.72020
   51    50 S   HC   _H25    56     1.09788   105.97127   116.02354
   52    48 S   CA   _C6_    44     1.39455   120.92283    -0.55813
   53    52 S   HA   _H20    45     1.08387   121.05857  -178.79797
   54    33 S   CT   _C15    57     1.53764   109.59928    52.28658
   55    54 S   HC   _H26    58     1.09637   112.55150   -56.60635
   56    50 S   OH   _O15    61     1.42393   109.13662  -129.80808
   57    56 S   HO   _H27    62     0.96929   106.59404   -59.92463
   58    37 S   CA   _C8_    46     1.40756   110.73419   -89.52918
   59    54 S   OH   _O16    59     1.43335   109.87537  -174.70298
   60    59 S   HO   _H28    60     0.96784   106.06910    59.74022
   61    58 S   CO4  _C12    47     1.46832   107.75356    -8.55451
   62    61 S   O    _O14    48     1.21335   125.82016   168.61569
  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  12   5   4   3
  20   2   1   1  17  14   7   9   4  10   4   6   3   9   4   5
   3   7   5   4   2   7   3   2   1   2   1   1   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    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    58    61    38    39    42    50    54    55    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    52    58    61    62    38    39    42    43    46    50    51    54    55    59    60    56  
   35    36  
   36  
    0  
   40    41    44    45    48    52    53    58    61    62    38    39    42    50    54    55    59  
   39    42    43    46    47    50    54    55    59    40    52    58    61    62  
   42    43    46    54    58    61    62  
   41    44    45    48    49    52    58    61    54  
   44    45    48    58  
   43    46    47    50    51    54    56    58    61    62  
   46    47    50    61  
   45    48    49    52    53    58  
   48    49    52  
   47    50    51    54    55    59    56    57    61  
   50    51    54    56  
   49    52    53    58    61  
   52    53    58  
   51    54    55    59    60    56    57  
   54    55    59    56    57  
   53    58    61    62  
   58    61  
   55    59    60    56    57    58    61  
   59    60    56  
   57    59  
    0  
   61    62  
   60  
    0  
   62  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.5000   1.7750   0.001000000  -0.843144165
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    38   268.000  1.529
   33    54   268.000  1.529
   37    40   469.000  1.400
   37    58   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    61   310.000  1.470
   61    62   570.000  1.229
   61    38   317.000  1.522
   38    39   340.000  1.090
   38    42   317.000  1.510
   42    43   340.000  1.080
   42    46   549.000  1.340
   46    47   340.000  1.080
   46    50   317.000  1.510
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    56   320.000  1.410
   54    55   340.000  1.090
   54    59   320.000  1.410
   59    60   553.000  0.945
   56    57   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    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    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    38    61    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    54    50    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    59    50.00000  109.50000
   37    40    41    35.00000  120.00000
   37    40    44    63.00000  120.00000
   37    58    52    63.00000  120.00000
   37    58    61    60.00000  119.52600
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    58    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    58    61    60.00000  119.52600
   58    37    40    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    38    65.00000  115.47100
   61    38    39    35.00000  109.50000
   61    38    42    70.00000  109.06800
   38    33    37    70.00000  112.17500
   38    61    62    80.00000  120.40000
   38    42    43    35.00000  117.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    50    70.00000  124.00000
   46    42    43    35.00000  120.00000
   46    50    51    35.00000  109.50000
   46    50    54    70.00000  112.02700
   46    50    56    90.00000  110.39200
   50    46    47    35.00000  117.00000
   50    54    55    37.50000  110.70000
   50    54    59    50.00000  109.50000
   50    56    57    55.00000  108.50000
   54    33    37    70.00000  112.17500
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    59    60    55.00000  108.50000
   59    54    55    35.00000  109.50000
   56    50    51    35.00000  109.50000
   56    50    54    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    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    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59   0.56750  1.0 1.0
   29    33    54    59  -0.07550 -1.0 2.0
   29    33    54    59   0.20000  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    58    52   3.62500 -1.0 2.0
   33    37   -58    61   3.62500 -1.0 2.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.09850  1.0 1.0
   33    38    42    46   0.15250 -1.0 2.0
   33    38    42    46  -0.50650  1.0 3.0
   33    54    59    60  -0.11600  1.0 1.0
   33    54    59    60  -0.09450 -1.0 2.0
   33    54    59    60   0.21250  1.0 3.0
   37    33   -38    61   0.56750  1.0 1.0
   37    33   -38    61  -0.07550 -1.0 2.0
   37    33   -38    61   0.20000  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    42   0.21200  1.0 1.0
   37    33    38    42   0.16900 -1.0 2.0
   37    33    38    42  -1.15100  1.0 3.0
   37    33    54    50  -0.03700  1.0 1.0
   37    33    54    50   0.37200 -1.0 2.0
   37    33    54    50  -0.47300  1.0 3.0
   37    33    54    55   0.43200  1.0 3.0
   37    33    54    59   1.13150  1.0 1.0
   37    33    54    59  -1.01400 -1.0 2.0
   37    40    44    45   3.62500 -1.0 2.0
   37    40    44    48   3.62500 -1.0 2.0
   37    58    61    62   1.05000 -1.0 2.0
   37    58   -61    38   2.26350  1.0 1.0
   37    58   -61    38   0.76750 -1.0 2.0
   37    58   -61    38   0.22500  1.0 3.0
   40    37    58    52   3.62500 -1.0 2.0
   40    37    58    61   3.62500 -1.0 2.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44   -48    52   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    48   3.62500 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    58   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52   -58    37   3.62500 -1.0 2.0
   48    52    58    61   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    58   3.62500 -1.0 2.0
   52    58    61    62   1.05000 -1.0 2.0
   52    58    61    38   2.26350  1.0 1.0
   52    58    61    38   0.76750 -1.0 2.0
   52    58    61    38   0.22500  1.0 3.0
   53    52    58    37   3.62500 -1.0 2.0
   53    52    58    61   3.62500 -1.0 2.0
   58    37    40    41   3.62500 -1.0 2.0
   58    37   -40    44   3.62500 -1.0 2.0
   58    61   -38    33   0.05850 -1.0 2.0
   58    61   -38    33   0.17250  1.0 3.0
   58    61    38    39   0.00000  1.0 1.0
   58    61    38    42   0.65300  1.0 1.0
   58    61    38    42  -0.03850 -1.0 2.0
   58    61    38    42   0.33900  1.0 3.0
   61    38    42    43   0.00000  1.0 1.0
   61    38    42    46  -0.51250  1.0 1.0
   61    38    42    46  -0.88800 -1.0 2.0
   61    38    42    46   0.08850  1.0 3.0
   62    61    38    33   0.30150 -1.0 2.0
   62    61    38    39   0.00000  1.0 1.0
   62    61    38    42   0.30150 -1.0 2.0
   38    33    37    40   0.04150 -1.0 2.0
   38    33   -37    58   0.04150 -1.0 2.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    59   0.86500  1.0 1.0
   38    33    54    59  -0.17500 -1.0 2.0
   38    33    54    59   0.20800  1.0 3.0
   38    42    46    47   7.00000 -1.0 2.0
   38    42   -46    50   7.00000 -1.0 2.0
   39    38    42    43   0.33100  1.0 3.0
   39    38    42    46   0.00000  1.0 1.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    54   0.09850  1.0 1.0
   42    46    50    54   0.15250 -1.0 2.0
   42    46    50    54  -0.50650  1.0 3.0
   42    46    50    56   0.67800  1.0 1.0
   42    46    50    56   0.47050 -1.0 2.0
   42    46    50    56  -0.62500  1.0 3.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    50   7.00000 -1.0 2.0
   46    50   -54    33   0.34400  1.0 1.0
   46    50   -54    33   0.09450 -1.0 2.0
   46    50   -54    33   0.11100  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    59   1.05650  1.0 1.0
   46    50    54    59   0.15600 -1.0 2.0
   46    50    54    59   0.53150  1.0 3.0
   46    50    56    57  -0.07800  1.0 1.0
   46    50    56    57  -0.21500 -1.0 2.0
   46    50    56    57  -0.03150  1.0 3.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    54   0.00000  1.0 1.0
   47    46    50    56   0.00000  1.0 1.0
   50    54    59    60  -0.11600  1.0 1.0
   50    54    59    60  -0.09450 -1.0 2.0
   50    54    59    60   0.21250  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    59   0.23400  1.0 3.0
   51    50    56    57   0.19450  1.0 3.0
   54    33    37    40   0.04150 -1.0 2.0
   54    33    37    58   0.04150 -1.0 2.0
   54    33    38    61  -0.95700  1.0 1.0
   54    33    38    61  -0.18200 -1.0 2.0
   54    33    38    61   0.29450  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    42   0.34400  1.0 1.0
   54    33   -38    42   0.09450 -1.0 2.0
   54    33   -38    42   0.11100  1.0 3.0
   54    50    56    57  -0.11600  1.0 1.0
   54    50    56    57  -0.09450 -1.0 2.0
   54    50    56    57   0.21250  1.0 3.0
   55    54    59    60   0.19450  1.0 3.0
   56    50    54    33   0.86500  1.0 1.0
   56    50    54    33  -0.17500 -1.0 2.0
   56    50    54    33   0.20800  1.0 3.0
   56    50    54    55   0.23400  1.0 3.0
   56    50    54    59   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
   36    30    34    35  10.50000 -1.0 2.0
   40    58    37    33   4.00000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   58    53    52    48   1.10000 -1.0 2.0
   52    61    58    37   4.00000 -1.0 2.0
   58    38    61    62  10.50000 -1.0 2.0
   38    43    42    46   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
END
