* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    228     416
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02068   105.86052    -2.18624
    3     1 S   H    _H1_     3     1.02144    48.94818    99.05688
    4     1 S   H    _H2_     4     1.02085    63.47848  -105.51790
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.82423    98.09624  -178.17126
   34    33 S   HC   _H8_    37     1.09735   105.41231   -38.35626
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C13    38     1.49278   110.62266    80.02967
   39    33 S   CT   _C11    58     1.55286   111.86535  -155.98261
   40    39 S   HC   _H7_    59     1.09682   110.86402   -49.79135
   41    38 S   CM   _C14    39     1.33300   126.70467  -129.77448
   42    41 S   HC   _H15    40     1.08122   124.30856     8.77937
   43    39 S   OH   _O36    60     1.43018   108.48831    67.79057
   44    43 S   HO   _H16    61     0.96802   106.29367    59.97298
   45    41 S   CT   _C15    41     1.47859   111.20268  -160.17790
   46    45 S   HC   _H9_    42     1.09459   110.14525  -119.15973
   47    45 S   CT   _C6_    43     1.54851   115.54090   113.89417
   48    47 S   HC   _H4_    44     1.09937   108.94456  -145.59997
   49    45 S   OS   _O34    71     1.43633   103.41845    -5.65731
   50    47 S   CT   _C5_    45     1.53553   111.25176    94.75001
   51    50 S   HC   _H3_    46     1.09655   111.18486   -45.02818
   52    38 S   CO4  _C16    72     1.47129   125.62553    64.90402
   53    52 S   O    _O35    73     1.21985   126.00236   -19.00363
   54    50 S   CO4  _C18    47     1.50523   102.41636  -159.70957
   55    54 S   O    _O38    48     1.22105   126.20576  -161.19132
   56    50 S   CT   _C4_    67     1.52158   113.14662    80.12533
   57    56 S   HC   _H10    68     1.09148   110.10421    54.54619
   58    56 S   HC   _H11    69     1.08996   110.10972   -65.47052
   59    56 S   HC   _H12    70     1.09131   110.09889   174.49505
   60    54 S   OS   _O37    49     1.36342   109.45091    20.01099
   61    47 S   CT   _C7_    50     1.54215   118.69331   -21.34523
   62    61 S   HC   _H5_    51     1.09529   112.20443    43.67156
   63    61 S   CT   _C8_    52     1.53372   118.04571   -85.80016
   64    63 S   HC   _H13    53     1.09918   108.07707  -160.97323
   65    63 S   HC   _H14    54     1.09846   109.29831   -48.19921
   66    63 S   C3T  _C9_    55     1.49203   114.76113    77.23261
   67    66 S   C3T  _C10    56     1.51593   121.75929    60.02115
   68    67 S   HC   _H6_    57     1.08148   119.79402    -3.33789
   69    66 S   CT   _C17    63     1.49723   113.31870  -110.56725
   70    69 S   HC   _H17    64     1.09920   111.29101  -179.95154
   71    69 S   HC   _H18    65     1.09897   111.29726    60.00118
   72    69 S   HC   _H19    66     1.09977   111.27364   -59.96944
   73    66 S   O3T  _O33    62     1.43820   115.80842   126.71346
  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   9   5   4   3
  16   7   2   1   1  12  11   6  10   5   5   1  14   6  18   9
   4  11   8   1   1   9   3   5   2   1   1   6   8   4  10   5
   4   7   6   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    66    67    68    39    40    43    44    73    49    52    53  
   38    41    67    39    40    43    52  
   36    37  
   37  
    0  
   41    42    45    46    47    67    39    40    43    49    52    53  
   40    43    44    73    69    52    41    63    66    67    68  
   43    44    73    66    67    68  
   42    45    46    47    48    50    61    49    52    53  
   45    46    47    49    52  
   44    73    66    67    68  
   67  
   46    47    48    50    51    54    60    61    62    63    56    49    52    53  
   47    48    50    61    49    52  
   48    50    51    54    55    60    61    62    63    64    65    66    56    57    58    59    49    52  
   50    51    54    60    61    62    63    56    49  
   52    53    50    61  
   51    54    55    60    61    62    63    56    57    58    59  
   54    55    60    61    56    57    58    59  
   53  
    0  
   55    60    61    62    63    56    57    58    59  
   60    61    56  
   57    58    59    60    61  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67    73    69  
   63    64    65    66  
   64    65    66    67    68    73    69    70    71    72  
   65    66    67    73    69  
   66    67    73    69  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    52   320.000  1.462
   41    42   340.000  1.080
   41    45   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    61   268.000  1.529
   50    51   340.000  1.090
   50    54   317.000  1.522
   50    56   268.000  1.529
   54    55   570.000  1.229
   54    60   214.000  1.327
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   275.000  1.510
   66    67   260.000  1.509
   66    73   335.000  1.432
   66    69   275.000  1.510
   67    68   340.000  1.088
   67    39   275.000  1.510
   67    73   335.000  1.432
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   49    52   214.000  1.327
   52    53   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    52    65.00000  116.34900
   33    39    67    70.00000  112.37300
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    70.00000  124.00000
   38    52    49    90.00000  111.29400
   38    52    53    80.00000  123.72100
   41    45    46    35.00000  109.50000
   41    45    47    70.00000  112.02700
   41    45    49    85.00000  110.90400
   45    41    42    35.00000  117.00000
   45    47    48    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    47    61    58.35000  112.70000
   45    49    52    83.00000  116.90000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    54    63.00000  111.10000
   47    50    56    58.35000  112.70000
   47    61    60    50.00000  109.50000
   47    61    62    37.50000  110.70000
   47    61    63    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    54    55    80.00000  120.40000
   50    54    60    81.00000  111.40000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   54    50    51    35.00000  109.50000
   54    60    61    83.00000  116.90000
   60    54    55    83.00000  123.40000
   60    61    62    35.00000  109.50000
   60    61    63    50.00000  109.50000
   61    47    48    37.50000  110.70000
   61    47    50    58.35000  112.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    70.00000  112.37300
   63    61    62    37.50000  110.70000
   63    66    67    60.00000  120.94000
   63    66    73    80.00000  116.47100
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    45.00000  109.38400
   66    63    65    45.00000  109.38400
   66    67    68    37.50000  117.20000
   66    67    39    60.00000  120.94000
   66    67    73    15.00000   60.43100
   66    73    67    15.00000   59.14900
   66    69    70    45.00000  109.38400
   66    69    71    45.00000  109.38400
   66    69    72    45.00000  109.38400
   67    39    40    45.00000  109.38400
   67    39    43    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    67    68    40.00000  115.04500
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   73    66    67    15.00000   60.43100
   73    67    68    50.00000  114.27700
   73    67    39    80.00000  116.47100
   69    66    67    60.00000  120.94000
   69    66    73    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    54    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  109.50000
   49    52    53    83.00000  123.40000
   52    38    41    65.00000  118.96000
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  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    52   0.09700  1.0 1.0
   29    33    38    52   0.15600 -1.0 2.0
   29    33    38    52  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    52    49  -0.15000  1.0 1.0
   33    38    52    49   0.89550 -1.0 2.0
   33    38    52    49  -0.06900  1.0 3.0
   33    38    52    53  -0.64400  1.0 1.0
   33    38    52    53   0.26850 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    52   0.15000  1.0 3.0
   34    33    39    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.09850  1.0 1.0
   38    41    45    47   0.15250 -1.0 2.0
   38    41    45    47  -0.50650  1.0 3.0
   38    41   -45    49   0.39000  1.0 1.0
   38    41   -45    49  -0.05800 -1.0 2.0
   38    41   -45    49  -0.55150  1.0 3.0
   41    38   -52    49  -0.56150  1.0 1.0
   41    38   -52    49   2.19150 -1.0 2.0
   41    38    52    53   1.00000 -1.0 2.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    50   0.34400  1.0 1.0
   41    45    47    50   0.09450 -1.0 2.0
   41    45    47    50   0.11100  1.0 3.0
   41    45    47    61   0.34400  1.0 1.0
   41    45    47    61   0.09450 -1.0 2.0
   41    45    47    61   0.11100  1.0 3.0
   41    45   -49    52  -0.82050  1.0 1.0
   41    45   -49    52   0.00600 -1.0 2.0
   41    45   -49    52   0.04400  1.0 3.0
   42    41    45    46   0.33100  1.0 3.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    49   0.00000  1.0 1.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    54  -0.95700  1.0 1.0
   45    47    50    54  -0.18200 -1.0 2.0
   45    47    50    54   0.29450  1.0 3.0
   45    47    50    56   0.56750  1.0 1.0
   45    47    50    56  -0.07550 -1.0 2.0
   45    47    50    56   0.20000  1.0 3.0
   45    47    61    60   0.62750  1.0 1.0
   45    47    61    60  -0.30950 -1.0 2.0
   45    47    61    60   0.27300  1.0 3.0
   45    47    61    62   0.15000  1.0 3.0
   45    47    61    63   0.56750  1.0 1.0
   45    47    61    63  -0.07550 -1.0 2.0
   45    47    61    63   0.20000  1.0 3.0
   45    49   -52    38   2.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    61   0.15000  1.0 3.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52  -0.25900  1.0 1.0
   47    45    49    52  -0.47000 -1.0 2.0
   47    45    49    52   0.11750  1.0 3.0
   47    50    54    55   0.30150 -1.0 2.0
   47    50   -54    60   0.36750  1.0 3.0
   47    50    56    57   0.15000  1.0 3.0
   47    50    56    58   0.15000  1.0 3.0
   47    50    56    59   0.15000  1.0 3.0
   47    61    63    64   0.15000  1.0 3.0
   47    61    63    65   0.15000  1.0 3.0
   47    61    63    66   0.47050  1.0 1.0
   47    61    63    66   0.03900 -1.0 2.0
   47    61    63    66   0.20100  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    54  -0.11250  1.0 3.0
   48    47    50    56   0.15000  1.0 3.0
   48    47    61    60   0.23400  1.0 3.0
   48    47    61    62   0.15000  1.0 3.0
   48    47    61    63   0.15000  1.0 3.0
   50    47   -61    60   0.62750  1.0 1.0
   50    47   -61    60  -0.30950 -1.0 2.0
   50    47   -61    60   0.27300  1.0 3.0
   50    47    61    62   0.15000  1.0 3.0
   50    47    61    63   0.56750  1.0 1.0
   50    47    61    63  -0.07550 -1.0 2.0
   50    47    61    63   0.20000  1.0 3.0
   50    54   -60    61   1.63150  1.0 1.0
   50    54   -60    61   2.92000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    60   0.00000  1.0 1.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   54    50    56    57  -0.11250  1.0 3.0
   54    50    56    58  -0.11250  1.0 3.0
   54    50    56    59  -0.11250  1.0 3.0
   54    60   -61    47  -0.25900  1.0 1.0
   54    60   -61    47  -0.47000 -1.0 2.0
   54    60   -61    47   0.11750  1.0 3.0
   54    60    61    62   0.08050  1.0 3.0
   54    60    61    63  -0.25900  1.0 1.0
   54    60    61    63  -0.47000 -1.0 2.0
   54    60    61    63   0.11750  1.0 3.0
   55    54    60    61   3.00000 -1.0 2.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.23400  1.0 3.0
   60    61    63    66  -0.26800  1.0 1.0
   60    61    63    66   0.69150 -1.0 2.0
   60    61    63    66  -0.48750  1.0 3.0
   61    47    50    51   0.15000  1.0 3.0
   61    47   -50    54  -0.95700  1.0 1.0
   61    47   -50    54  -0.18200 -1.0 2.0
   61    47   -50    54   0.29450  1.0 3.0
   61    47    50    56   0.56750  1.0 1.0
   61    47    50    56  -0.07550 -1.0 2.0
   61    47    50    56   0.20000  1.0 3.0
   61    63    66    67   0.07850  1.0 1.0
   61    63    66    67  -0.03950 -1.0 2.0
   61    63    66    67   0.67350  1.0 3.0
   61    63    66    73   0.02550  1.0 1.0
   61    63    66    73  -0.02600 -1.0 2.0
   61    63    66    73   1.20400  1.0 3.0
   61    63    66    69   0.56750  1.0 1.0
   61    63    66    69  -0.07550 -1.0 2.0
   61    63    66    69   0.20000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   63    66    67    68   0.15000  1.0 3.0
   63    66    67    39   0.56750  1.0 1.0
   63    66    67    39  -0.07550 -1.0 2.0
   63    66    67    39   0.20000  1.0 3.0
   63    66   -67    73   0.02550  1.0 1.0
   63    66   -67    73  -0.02600 -1.0 2.0
   63    66   -67    73   1.20400  1.0 3.0
   63    66   -73    67   0.06250  1.0 1.0
   63    66   -73    67  -0.01100 -1.0 2.0
   63    66   -73    67   0.28050  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    73   0.23400  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    73   0.23400  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    67    39    33   0.07850  1.0 1.0
   66    67    39    33  -0.03950 -1.0 2.0
   66    67    39    33   0.67350  1.0 3.0
   66    67    39    40   0.15000  1.0 3.0
   66    67    39    43   0.86500  1.0 1.0
   66    67    39    43  -0.17500 -1.0 2.0
   66    67    39    43   0.20800  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.23400  1.0 3.0
   68    67   -73    66   0.36800  1.0 3.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    52   0.09700  1.0 1.0
   39    33    38    52   0.15600 -1.0 2.0
   39    33    38    52  -0.50800  1.0 3.0
   39    67   -73    66   0.06250  1.0 1.0
   39    67   -73    66  -0.01100 -1.0 2.0
   39    67   -73    66   0.28050  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   73    66   -67    68   0.23400  1.0 3.0
   73    66   -67    39   0.02550  1.0 1.0
   73    66   -67    39  -0.02600 -1.0 2.0
   73    66   -67    39   1.20400  1.0 3.0
   73    66    69    70   0.23400  1.0 3.0
   73    66    69    71   0.23400  1.0 3.0
   73    66    69    72   0.23400  1.0 3.0
   73    67    39    33   0.02550  1.0 1.0
   73    67    39    33  -0.02600 -1.0 2.0
   73    67    39    33   1.20400  1.0 3.0
   73    67    39    40   0.23400  1.0 3.0
   73    67    39    43   3.69350  1.0 1.0
   73    67    39    43  -1.82950 -1.0 2.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    39   0.56750  1.0 1.0
   69    66    67    39  -0.07550 -1.0 2.0
   69    66    67    39   0.20000  1.0 3.0
   69    66   -67    73   0.02550  1.0 1.0
   69    66   -67    73  -0.02600 -1.0 2.0
   69    66   -67    73   1.20400  1.0 3.0
   69    66   -73    67   0.06250  1.0 1.0
   69    66   -73    67  -0.01100 -1.0 2.0
   69    66   -73    67   0.28050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    60   0.36750  1.0 3.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    50   0.62750  1.0 1.0
   49    45    47    50  -0.30950 -1.0 2.0
   49    45    47    50   0.27300  1.0 3.0
   49    45    47    61   0.62750  1.0 1.0
   49    45    47    61  -0.30950 -1.0 2.0
   49    45    47    61   0.27300  1.0 3.0
   52    38    41    42   7.00000 -1.0 2.0
   52    38   -41    45   7.00000 -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    52    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   50    60    54    55  10.50000 -1.0 2.0
   38    49    52    53  10.50000 -1.0 2.0
END
