* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    243     442
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02061   100.35051   -48.31039
    3     1 S   H    _H1_     3     1.02049    77.36720    58.70843
    4     1 S   H    _H2_     4     1.02093    37.72598  -155.55255
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   _C18    36     1.80776    98.61927  -178.16656
   34    33 S   HC   _H22    37     1.09242   109.29003   -59.33326
   35    33 S   HC   _H23    38     1.09244   109.40722    59.00152
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C16    39     1.48768   109.99254  -180.00000
   40    39 S   CM   _C17    40     1.33234   127.12896  -119.62605
   41    40 S   OS   _O36    41     1.38156   115.75511   177.11989
   42    40 S   OH   _O37    75     1.36906   124.08651    -3.12080
   43    42 S   HO   _H21    76     0.96667   110.41265  -179.98022
   44    41 S   CT   _C7_    42     1.45293   104.41526   -10.67844
   45    44 S   HC   _H4_    43     1.09862   105.93508  -100.04620
   46    44 S   CT   _C6_    44     1.53482   106.16407   144.01208
   47    46 S   HC   _H14    45     1.09944   108.67147    48.70089
   48    46 S   HC   _H15    46     1.09704   109.00236   -63.05302
   49    39 S   CT   _C8_    60     1.50246   123.46348    56.97937
   50    49 S   HC   _H5_    61     1.09692   107.88332   -52.79303
   51    46 S   CT   _C5_    47     1.53806   115.93989   172.19169
   52    51 S   HC   _H3_    48     1.09758   107.99893   162.31034
   53    51 S   CT   _C11    49     1.52909   112.16126    41.29088
   54    53 S   HC   _H7_    50     1.09886   107.57323   -71.83858
   55    51 S   CT   _C4_    71     1.53645   109.90257   -81.90521
   56    55 S   HC   _H11    72     1.08507   109.43066    63.25544
   57    55 S   HC   _H12    73     1.08593   109.35878   -56.73147
   58    55 S   HC   _H13    74     1.08534   109.38789  -176.68583
   59    53 S   C3T  _C12    51     1.51287   115.07771   171.47345
   60    59 S   HC   _H8_    52     1.07695   118.81763   -15.07477
   61    59 S   C3T  _C13    53     1.49468   107.69372  -155.04466
   62    61 S   HC   _H9_    54     1.07794   119.97669   140.72944
   63    61 S   CT   _C14    55     1.50615   107.44578     1.81024
   64    63 S   HC   _H10    56     1.09849   109.51712   -94.61728
   65    59 S   O3T  _O34    70     1.42978   115.36457   142.16092
   66    53 S   CT   _C10    57     1.56855   116.54910    50.58612
   67    63 S   OH   _O33    68     1.41713   110.16120   146.06062
   68    67 S   HO   _H16    69     0.97150   107.02792    59.89774
   69    66 S   CT   _C9_    58     1.56800   114.21274   -69.68146
   70    69 S   HC   _H6_    59     1.10573   109.36173   105.60754
   71    66 S   CT   _C15    64     1.55657   112.02032    52.48357
   72    71 S   HC   _H17    65     1.07948   108.35681   180.00000
   73    71 S   HC   _H18    66     1.07881   108.36462    59.99449
   74    71 S   HC   _H19    67     1.07939   108.34445   -60.03573
   75    69 S   OH   _O35    62     1.42976   108.68227  -139.97181
   76    75 S   HO   _H20    63     0.96897   106.33661    68.03402
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  14   7  15   6   5
  10   4  15   8  21   9   5   2   1   1  10   5   9   5  12   6
   2  10   3   1   7   3   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    69    49    50    42  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    44    45    46    66    69    70    49    50    75    42    43  
   41    44    45    46    69    49    50    42    43  
   44    45    46    47    48    51    69    49    50    42    43  
   43    44    49  
    0  
   45    46    47    48    51    52    53    66    69    70    49    50    75    55  
   46    47    48    51    69    49    50  
   47    48    51    52    53    54    59    66    69    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    75    76    71    51    53    63    66    69    70  
   75    66    69    70  
   52    53    54    59    60    61    63    66    69    71    65    55    56    57    58  
   53    54    59    66    55    56    57    58  
   54    59    60    61    62    63    64    66    69    70    75    71    72    73    74    67    65    55    56    57    58  
   59    60    61    63    66    69    71    65    55  
   56    57    58    59    66  
   57    58  
   58  
    0  
   60    61    62    63    64    66    69    71    67    65  
   61    62    63    66    65  
   62    63    64    66    69    71    67    68    65  
   63    64    66    67    65  
   64    66    69    70    75    71    72    73    74    67    68    65  
   66    69    71    67    68    65  
   66    67  
   69    70    75    76    71    72    73    74    67    68  
   68    69    71  
    0  
   70    75    76    71    72    73    74  
   75    76    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    49   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   275.000  1.510
   53    66   268.000  1.529
   59    60   340.000  1.088
   59    61   260.000  1.509
   59    65   335.000  1.432
   61    62   340.000  1.088
   61    63   275.000  1.510
   61    65   335.000  1.432
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    67   320.000  1.410
   66    69   268.000  1.529
   66    71   268.000  1.529
   69    70   340.000  1.090
   69    49   268.000  1.529
   69    75   320.000  1.410
   49    50   340.000  1.090
   75    76   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   67    68   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    49    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    49    44    70.00000  112.02700
   39    49    69    70.00000  112.02700
   39    49    50    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    69    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    70.00000  112.37300
   51    53    66    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    40.00000  115.04500
   53    59    61    60.00000  120.94000
   53    59    65    80.00000  116.47100
   53    66    63    58.35000  112.70000
   53    66    69    58.35000  112.70000
   53    66    71    58.35000  112.70000
   59    53    54    45.00000  109.38400
   59    61    62    37.50000  117.20000
   59    61    63    60.00000  120.94000
   59    61    65    15.00000   60.43100
   59    65    61    15.00000   59.14900
   61    59    60    37.50000  117.20000
   61    63    64    45.00000  109.38400
   61    63    66    70.00000  112.37300
   61    63    67    50.00000  109.50000
   63    61    62    40.00000  115.04500
   63    66    69    58.35000  112.70000
   63    66    71    58.35000  112.70000
   63    67    68    55.00000  108.50000
   66    53    54    37.50000  110.70000
   66    53    59    70.00000  112.37300
   66    63    64    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    49    58.35000  112.70000
   66    69    75    50.00000  109.50000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    49    50    37.50000  110.70000
   69    75    76    55.00000  108.50000
   49    39    40    70.00000  124.00000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    69    70    37.50000  110.70000
   75    69    70    35.00000  109.50000
   75    69    49    50.00000  109.50000
   71    66    69    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    66    50.00000  109.50000
   65    59    60    50.00000  114.27700
   65    59    61    15.00000   60.43100
   65    61    62    50.00000  114.27700
   65    61    63    80.00000  116.47100
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    49   0.30250  1.0 1.0
   29    33    39    49  -0.14950 -1.0 2.0
   29    33    39    49   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    49    44   0.46850  1.0 1.0
   33    39    49    44   0.08550 -1.0 2.0
   33    39    49    44   0.09800  1.0 3.0
   33    39    49    69   0.46850  1.0 1.0
   33    39    49    69   0.08550 -1.0 2.0
   33    39    49    69   0.09800  1.0 3.0
   33    39    49    50   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -49    44   0.09850  1.0 1.0
   40    39   -49    44   0.15250 -1.0 2.0
   40    39   -49    44  -0.50650  1.0 3.0
   40    39    49    69   0.09850  1.0 1.0
   40    39    49    69   0.15250 -1.0 2.0
   40    39    49    69  -0.50650  1.0 3.0
   40    39    49    50   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    49  -0.46850  1.0 1.0
   40    41   -44    49   0.09300 -1.0 2.0
   40    41   -44    49  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    51   0.62750  1.0 1.0
   41    44    46    51  -0.30950 -1.0 2.0
   41    44    46    51   0.27300  1.0 3.0
   41    44   -49    39   0.61850  1.0 1.0
   41    44   -49    39  -0.22750 -1.0 2.0
   41    44   -49    39   0.15300  1.0 3.0
   41    44    49    69   0.62750  1.0 1.0
   41    44    49    69  -0.30950 -1.0 2.0
   41    44    49    69   0.27300  1.0 3.0
   41    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    69   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.34400  1.0 1.0
   46    44    49    39   0.09450 -1.0 2.0
   46    44    49    39   0.11100  1.0 3.0
   46    44    49    69   0.56750  1.0 1.0
   46    44    49    69  -0.07550 -1.0 2.0
   46    44    49    69   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.47050  1.0 1.0
   46    51    53    59   0.03900 -1.0 2.0
   46    51    53    59   0.20100  1.0 3.0
   46    51    53    66   0.56750  1.0 1.0
   46    51    53    66  -0.07550 -1.0 2.0
   46    51    53    66   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.15000  1.0 3.0
   51    53    59    61   0.07850  1.0 1.0
   51    53    59    61  -0.03950 -1.0 2.0
   51    53    59    61   0.67350  1.0 3.0
   51    53    59    65   0.02550  1.0 1.0
   51    53    59    65  -0.02600 -1.0 2.0
   51    53    59    65   1.20400  1.0 3.0
   51    53    66    63   0.56750  1.0 1.0
   51    53    66    63  -0.07550 -1.0 2.0
   51    53    66    63   0.20000  1.0 3.0
   51    53    66    69   0.56750  1.0 1.0
   51    53    66    69  -0.07550 -1.0 2.0
   51    53    66    69   0.20000  1.0 3.0
   51    53    66    71   0.56750  1.0 1.0
   51    53    66    71  -0.07550 -1.0 2.0
   51    53    66    71   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    66   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    61    62   0.15000  1.0 3.0
   53    59   -61    63   0.56750  1.0 1.0
   53    59   -61    63  -0.07550 -1.0 2.0
   53    59   -61    63   0.20000  1.0 3.0
   53    59   -61    65   0.02550  1.0 1.0
   53    59   -61    65  -0.02600 -1.0 2.0
   53    59   -61    65   1.20400  1.0 3.0
   53    59   -65    61   0.06250  1.0 1.0
   53    59   -65    61  -0.01100 -1.0 2.0
   53    59   -65    61   0.28050  1.0 3.0
   53    66    69    70   0.15000  1.0 3.0
   53    66    69    49   0.56750  1.0 1.0
   53    66    69    49  -0.07550 -1.0 2.0
   53    66    69    49   0.20000  1.0 3.0
   53    66    69    75   0.86500  1.0 1.0
   53    66    69    75  -0.17500 -1.0 2.0
   53    66    69    75   0.20800  1.0 3.0
   53    66    71    72   0.15000  1.0 3.0
   53    66    71    73   0.15000  1.0 3.0
   53    66    71    74   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    65   0.23400  1.0 3.0
   54    53    66    63   0.15000  1.0 3.0
   54    53    66    69   0.15000  1.0 3.0
   54    53    66    71   0.15000  1.0 3.0
   59    53   -66    63   0.47050  1.0 1.0
   59    53   -66    63   0.03900 -1.0 2.0
   59    53   -66    63   0.20100  1.0 3.0
   59    53    66    69   0.47050  1.0 1.0
   59    53    66    69   0.03900 -1.0 2.0
   59    53    66    69   0.20100  1.0 3.0
   59    53    66    71   0.47050  1.0 1.0
   59    53    66    71   0.03900 -1.0 2.0
   59    53    66    71   0.20100  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61   -63    66   0.07850  1.0 1.0
   59    61   -63    66  -0.03950 -1.0 2.0
   59    61   -63    66   0.67350  1.0 3.0
   59    61    63    67   0.86500  1.0 1.0
   59    61    63    67  -0.17500 -1.0 2.0
   59    61    63    67   0.20800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59   -61    65   0.23400  1.0 3.0
   60    59   -65    61   0.36800  1.0 3.0
   61    63   -66    53   0.47050  1.0 1.0
   61    63   -66    53   0.03900 -1.0 2.0
   61    63   -66    53   0.20100  1.0 3.0
   61    63    66    69   0.47050  1.0 1.0
   61    63    66    69   0.03900 -1.0 2.0
   61    63    66    69   0.20100  1.0 3.0
   61    63    66    71   0.47050  1.0 1.0
   61    63    66    71   0.03900 -1.0 2.0
   61    63    66    71   0.20100  1.0 3.0
   61    63    67    68  -0.11600  1.0 1.0
   61    63    67    68  -0.09450 -1.0 2.0
   61    63    67    68   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61   -65    59   0.36800  1.0 3.0
   63    61   -65    59   0.06250  1.0 1.0
   63    61   -65    59  -0.01100 -1.0 2.0
   63    61   -65    59   0.28050  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    49   0.56750  1.0 1.0
   63    66    69    49  -0.07550 -1.0 2.0
   63    66    69    49   0.20000  1.0 3.0
   63    66    69    75   0.86500  1.0 1.0
   63    66    69    75  -0.17500 -1.0 2.0
   63    66    69    75   0.20800  1.0 3.0
   63    66    71    72   0.15000  1.0 3.0
   63    66    71    73   0.15000  1.0 3.0
   63    66    71    74   0.15000  1.0 3.0
   64    63    66    53   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.15000  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   66    53    59    60   0.15000  1.0 3.0
   66    53   -59    61   0.07850  1.0 1.0
   66    53   -59    61  -0.03950 -1.0 2.0
   66    53   -59    61   0.67350  1.0 3.0
   66    53    59    65   0.02550  1.0 1.0
   66    53    59    65  -0.02600 -1.0 2.0
   66    53    59    65   1.20400  1.0 3.0
   66    63    67    68  -0.11600  1.0 1.0
   66    63    67    68  -0.09450 -1.0 2.0
   66    63    67    68   0.21250  1.0 3.0
   66    69    49    39   0.34400  1.0 1.0
   66    69    49    39   0.09450 -1.0 2.0
   66    69    49    39   0.11100  1.0 3.0
   66    69    49    44   0.56750  1.0 1.0
   66    69    49    44  -0.07550 -1.0 2.0
   66    69    49    44   0.20000  1.0 3.0
   66    69    49    50   0.15000  1.0 3.0
   66    69    75    76  -0.11600  1.0 1.0
   66    69    75    76  -0.09450 -1.0 2.0
   66    69    75    76   0.21250  1.0 3.0
   69    66    71    72   0.15000  1.0 3.0
   69    66    71    73   0.15000  1.0 3.0
   69    66    71    74   0.15000  1.0 3.0
   70    69    49    39   0.15000  1.0 3.0
   70    69    49    44   0.15000  1.0 3.0
   70    69    49    50   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   49    39   -40    41   7.00000 -1.0 2.0
   49    39    40    42   7.00000 -1.0 2.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   49    69    75    76  -0.11600  1.0 1.0
   49    69    75    76  -0.09450 -1.0 2.0
   49    69    75    76   0.21250  1.0 3.0
   75    69    49    39   1.05650  1.0 1.0
   75    69    49    39   0.15600 -1.0 2.0
   75    69    49    39   0.53150  1.0 3.0
   75    69    49    44   0.86500  1.0 1.0
   75    69    49    44  -0.17500 -1.0 2.0
   75    69    49    44   0.20800  1.0 3.0
   75    69    49    50   0.23400  1.0 3.0
   71    66    69    70   0.15000  1.0 3.0
   71    66    69    49   0.56750  1.0 1.0
   71    66    69    49  -0.07550 -1.0 2.0
   71    66    69    49   0.20000  1.0 3.0
   71    66    69    75   0.86500  1.0 1.0
   71    66    69    75  -0.17500 -1.0 2.0
   71    66    69    75   0.20800  1.0 3.0
   67    63    66    53   0.86500  1.0 1.0
   67    63    66    53  -0.17500 -1.0 2.0
   67    63    66    53   0.20800  1.0 3.0
   67    63    66    69   0.86500  1.0 1.0
   67    63    66    69  -0.17500 -1.0 2.0
   67    63    66    69   0.20800  1.0 3.0
   67    63    66    71   0.86500  1.0 1.0
   67    63    66    71  -0.17500 -1.0 2.0
   67    63    66    71   0.20800  1.0 3.0
   65    59   -61    62   0.23400  1.0 3.0
   65    59   -61    63   0.02550  1.0 1.0
   65    59   -61    63  -0.02600 -1.0 2.0
   65    59   -61    63   1.20400  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61   -63    66   0.02550  1.0 1.0
   65    61   -63    66  -0.02600 -1.0 2.0
   65    61   -63    66   1.20400  1.0 3.0
   65    61    63    67   3.69350  1.0 1.0
   65    61    63    67  -1.82950 -1.0 2.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.47050  1.0 1.0
   55    51    53    59   0.03900 -1.0 2.0
   55    51    53    59   0.20100  1.0 3.0
   55    51    53    66   0.56750  1.0 1.0
   55    51    53    66  -0.07550 -1.0 2.0
   55    51    53    66   0.20000  1.0 3.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    49    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
