* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    134    196     390
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050    98.21027    24.83074
    3     1 S   H    _H1_     3     1.02152    35.76375   135.51558
    4     1 S   H    _H2_     4     1.02139    80.70466   -82.90619
    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     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08697   109.77361   178.88724
   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   _C16    36     1.87936   101.82538   159.97404
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CT   _C15    37     1.56987   113.03363   -60.00385
   38    37 S   HC   _H4_    38     1.09742   110.33165    58.90391
   39    33 S   OH   _O34    71     1.43359   108.16886    58.17968
   40    39 S   HO   _H15    72     0.97183   106.48823   -62.02176
   41    33 S   S    _S1_    73     1.86482   107.31576   176.92292
   42    37 S   CT   _C14    39     1.56119   116.29116   -65.90420
   43    42 S   HC   _H3_    40     1.09728   109.96207   -69.65871
   44    37 S   NTH2 _N4_    68     1.48119   109.43969   175.35400
   45    44 S   H    _H19    69     0.98680   117.01055   -35.76721
   46    44 S   H    _H20    70     0.98762   116.95964   157.55710
   47    41 S   CT   _C17    74     1.81109   101.14923   -75.85583
   48    47 S   HC   _H16    75     1.09299   109.89406   179.97202
   49    47 S   HC   _H17    76     1.09253   109.89695    60.07136
   50    47 S   HC   _H18    77     1.09270   109.88366   -59.95509
   51    42 S   CA   _C10    41     1.50969   116.26359   165.47856
   52    42 S   OH   _O35    66     1.43672   109.57667    46.27212
   53    52 S   HO   _H21    67     0.96661   105.93696    65.72861
   54    51 S   CA   _C11    42     1.39519   120.00677   125.09308
   55    54 S   HA   _H12    43     1.08721   120.43695     0.04846
   56    54 S   CA   _C12    44     1.39459   120.02397   179.96044
   57    56 S   HA   _H13    45     1.08665   119.59634  -179.86152
   58    56 S   CA   _C13    46     1.39528   120.00134     0.02798
   59    58 S   CA   _C8_    47     1.39452   120.00238     0.03956
   60    58 S   OH   _O33    64     1.36245   119.19919   179.86583
   61    60 S   HO   _H14    65     0.96985   110.24403     0.09279
   62    51 S   CA   _C9_    48     1.39463   120.02140   -54.88018
   63    62 S   HA   _H11    49     1.08807   119.99444    -0.00000
   64    59 S   CT   _C7_    50     1.49291   120.72711  -179.98022
   65    64 S   HC   _H9_    51     1.10369   110.02327    44.89343
   66    64 S   HC   _H10    52     1.10009   110.28627   158.75110
   67    64 S   CM   _C6_    53     1.50853   112.92457   -75.36574
   68    67 S   HC   _H8_    54     1.08922   114.04893    92.46980
   69    67 S   CM   _C5_    55     1.34671   128.02944   -88.31463
   70    69 S   CT   _C4_    56     1.50211   125.26640   180.00000
   71    70 S   HC   _H5_    57     1.09151   113.66817    89.92333
   72    70 S   HC   _H6_    58     1.09514   110.05094  -150.14929
   73    70 S   HC   _H7_    59     1.09557   110.06287   -30.91464
   74    69 S   CT   _C18    60     1.50600   120.39426    -0.53302
   75    74 S   HC   _H22    61     1.09489   112.44422    90.02338
   76    74 S   HC   _H23    62     1.09529   110.19578  -149.90410
   77    74 S   HC   _H24    63     1.09505   110.26322   -30.13440
  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   2   1   1  15   9   5   1   6  13   6   4   1   1   3   2
   1   1  11   3   1   8   4   7   3   9  10   3   1   5   1   7
   4   3  10   3   8   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    39    40    41    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    51    52    44    45    46    39    40    41    47    48    49    50  
   35    36  
   36  
    0  
   38    42    43    51    54    62    52    53    44    45    46    39    40    41    47  
   42    43    51    52    44    45    46    39    41  
   40    41    47    42    44  
   41  
   47    48    49    50    42    44  
   43    51    54    55    56    59    62    63    52    53    44    45    46  
   51    54    62    52    53    44  
   45    46    51    52  
   46  
    0  
   48    49    50  
   49    50  
   50  
    0  
   54    55    56    57    58    59    62    63    64    52    53  
   53    54    62  
    0  
   55    56    57    58    59    62    63    60  
   56    57    58    62  
   57    58    59    62    64    60    61  
   58    59    60  
   59    62    63    64    65    66    67    60    61  
   62    63    64    65    66    67    68    69    60    61  
   61    62    64  
    0  
   63    64    65    66    67  
   64  
   65    66    67    68    69    70    74  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74    75    76    77  
   69    70    74  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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   0.600000   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   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    39   320.000  1.410
   33    41   222.000  1.810
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    44   300.000  1.468
   42    43   340.000  1.090
   42    51   317.000  1.510
   42    52   320.000  1.410
   51    54   469.000  1.400
   51    62   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    62   469.000  1.400
   59    64   317.000  1.510
   62    63   367.000  1.080
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   317.000  1.510
   69    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   60    61   553.000  0.945
   52    53   553.000  0.945
   44    45   495.000  1.019
   44    46   495.000  1.019
   39    40   553.000  0.945
   41    47   222.000  1.810
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
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    75.00000  111.63000
   29    33    39    85.00000  114.68000
   29    33    41    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    44    80.00000  112.76400
   33    39    40    55.00000  108.50000
   33    41    47    62.00000   98.90000
   37    42    43    37.50000  110.70000
   37    42    51    70.00000  112.17500
   37    42    52    50.00000  109.50000
   37    44    45    50.00000  110.30900
   37    44    46    50.00000  110.30900
   42    37    38    37.50000  110.70000
   42    51    54    70.00000  120.00000
   42    51    62    70.00000  120.00000
   42    52    53    55.00000  108.50000
   51    42    43    35.00000  109.50000
   51    54    55    35.00000  120.00000
   51    54    56    63.00000  120.00000
   51    62    59    63.00000  120.00000
   51    62    63    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    60    70.00000  120.00000
   58    56    57    35.00000  120.00000
   58    59    62    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    61    35.00000  113.00000
   59    62    63    35.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    70.00000  112.99600
   62    51    54    63.00000  120.00000
   64    59    62    70.00000  120.00000
   64    67    68    35.00000  117.00000
   64    67    69    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    69    70    70.00000  124.00000
   67    69    74    70.00000  124.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    73    35.00000  109.50000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    69    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   60    58    59    70.00000  120.00000
   52    42    43    35.00000  109.50000
   52    42    51    90.00000  112.51600
   44    37    38    50.00000  110.79000
   44    37    42    80.00000  112.76400
   46    44    45    40.00000  106.77200
   39    33    37    50.00000  109.50000
   41    33    37    75.00000  111.63000
   41    33    39    85.00000  114.68000
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   24    29    33    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   29    33    41    47   0.08500  1.0 1.0
   29    33    41    47  -0.53150 -1.0 2.0
   29    33    41    47   0.48050  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    51  -0.03700  1.0 1.0
   33    37    42    51   0.37200 -1.0 2.0
   33    37    42    51  -0.47300  1.0 3.0
   33    37    42    52   0.86500  1.0 1.0
   33    37    42    52  -0.17500 -1.0 2.0
   33    37    42    52   0.20800  1.0 3.0
   33    37    44    45   0.21650  1.0 1.0
   33    37    44    45   0.26250 -1.0 2.0
   33    37    44    45   0.12450  1.0 3.0
   33    37    44    46   0.21650  1.0 1.0
   33    37    44    46   0.26250 -1.0 2.0
   33    37    44    46   0.12450  1.0 3.0
   33    41    47    48   0.32350  1.0 3.0
   33    41    47    49   0.32350  1.0 3.0
   33    41    47    50   0.32350  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    33    41    47   0.01700  1.0 1.0
   37    33    41    47  -0.23550 -1.0 2.0
   37    33    41    47   0.21350  1.0 3.0
   37    42    51    54   0.04150 -1.0 2.0
   37    42    51    62   0.04150 -1.0 2.0
   37    42    52    53  -0.11600  1.0 1.0
   37    42    52    53  -0.09450 -1.0 2.0
   37    42    52    53   0.21250  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    51   0.43200  1.0 3.0
   38    37    42    52   0.23400  1.0 3.0
   38    37    44    45   0.20000  1.0 3.0
   38    37    44    46   0.20000  1.0 3.0
   42    37    44    45   0.21650  1.0 1.0
   42    37    44    45   0.26250 -1.0 2.0
   42    37    44    45   0.12450  1.0 3.0
   42    37    44    46   0.21650  1.0 1.0
   42    37    44    46   0.26250 -1.0 2.0
   42    37    44    46   0.12450  1.0 3.0
   42    51    54    55   3.62500 -1.0 2.0
   42    51    54    56   3.62500 -1.0 2.0
   42    51    62    59   3.62500 -1.0 2.0
   42    51    62    63   3.62500 -1.0 2.0
   43    42    51    54   0.00000  1.0 1.0
   43    42    51    62   0.00000  1.0 1.0
   43    42    52    53   0.19450  1.0 3.0
   51    42    52    53   0.31900  1.0 1.0
   51    42    52    53  -0.11800 -1.0 2.0
   51    42    52    53   0.38750  1.0 3.0
   51    54    56    57   3.62500 -1.0 2.0
   51    54    56    58   3.62500 -1.0 2.0
   54    51    62    59   3.62500 -1.0 2.0
   54    51    62    63   3.62500 -1.0 2.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    56    58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    59    62   3.62500 -1.0 2.0
   56    58    59    64   3.62500 -1.0 2.0
   56    58    60    61   0.84100 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    59   -62    51   3.62500 -1.0 2.0
   58    59    62    63   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    67   0.18050 -1.0 2.0
   59    58    60    61   0.84100 -1.0 2.0
   59    64    67    68   0.00000  1.0 1.0
   59    64    67    69   1.44450  1.0 1.0
   59    64    67    69   0.06600 -1.0 2.0
   59    64    67    69   0.29250  1.0 3.0
   62    51    54    55   3.62500 -1.0 2.0
   62    51   -54    56   3.62500 -1.0 2.0
   62    59    64    65   0.00000  1.0 1.0
   62    59    64    66   0.00000  1.0 1.0
   62    59    64    67   0.18050 -1.0 2.0
   64    59    62    51   3.62500 -1.0 2.0
   64    59    62    63   3.62500 -1.0 2.0
   64    67    69    70   7.00000 -1.0 2.0
   64    67    69    74   7.00000 -1.0 2.0
   65    64    67    68   0.33100  1.0 3.0
   65    64    67    69   0.00000  1.0 1.0
   66    64    67    68   0.33100  1.0 3.0
   66    64    67    69   0.00000  1.0 1.0
   67    69    70    71   0.00000  1.0 1.0
   67    69    70    72   0.00000  1.0 1.0
   67    69    70    73   0.00000  1.0 1.0
   67    69    74    75   0.00000  1.0 1.0
   67    69    74    76   0.00000  1.0 1.0
   67    69    74    77   0.00000  1.0 1.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    74   7.00000 -1.0 2.0
   70    69    74    75   0.34800  1.0 3.0
   70    69    74    76   0.34800  1.0 3.0
   70    69    74    77   0.34800  1.0 3.0
   74    69    70    71   0.34800  1.0 3.0
   74    69    70    72   0.34800  1.0 3.0
   74    69    70    73   0.34800  1.0 3.0
   60    58    59    62   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   52    42    51    54   0.14300 -1.0 2.0
   52    42    51    54   0.00300  1.0 3.0
   52    42    51    62   0.14300 -1.0 2.0
   52    42    51    62   0.00300  1.0 3.0
   44    37    42    43   0.15000  1.0 3.0
   44    37    42    51   0.83750  1.0 1.0
   44    37    42    51   0.32200 -1.0 2.0
   44    37    42    51   0.70600  1.0 3.0
   44    37    42    52   5.28650  1.0 1.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    42   0.86500  1.0 1.0
   39    33    37    42  -0.17500 -1.0 2.0
   39    33    37    42   0.20800  1.0 3.0
   39    33    37    44   5.28650  1.0 1.0
   39    33    41    47   0.13850  1.0 1.0
   39    33    41    47  -1.34450 -1.0 2.0
   39    33    41    47   0.57400  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    42   0.44750  1.0 1.0
   41    33    37    42  -0.17800 -1.0 2.0
   41    33    37    42   0.20200  1.0 3.0
   41    33    37    44   0.56750  1.0 1.0
   41    33    37    44  -0.07550 -1.0 2.0
   41    33    37    44   0.20000  1.0 3.0
   41    33    39    40   0.35600  1.0 1.0
   41    33    39    40  -0.10750 -1.0 2.0
   41    33    39    40  -0.54400  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   54    62    51    42   4.00000 -1.0 2.0
   56    55    54    51   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   59    60    58    56   4.00000 -1.0 2.0
   62    64    59    58   4.00000 -1.0 2.0
   59    63    62    51   1.10000 -1.0 2.0
   64    68    67    69  15.00000 -1.0 2.0
   70    74    69    67  15.00000 -1.0 2.0
END
