* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    145    224     424
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02112    97.89370    25.55401
    3     1 S   H    _H1_     3     1.02099    35.46193   136.81819
    4     1 S   H    _H2_     4     1.02101    81.14403   -82.25456
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.85731    97.06209   160.00034
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C5_    37     1.51938   105.65555   -80.01372
   38    37 S   HC   _H22    38     1.09100   115.47654   -54.21949
   39    33 S   CT   _C16    67     1.53887   106.55335   163.19277
   40    39 S   HC   _H37    68     1.09618   111.59221   -65.99401
   41    39 S   HC   _H38    69     1.09754   111.66555    53.91729
   42    39 S   HC   _H39    70     1.09674   112.07697   174.79534
   43    33 S   CT   _C17    71     1.54858   106.43434    44.79937
   44    43 S   HC   _H40    72     1.09886   109.30936    42.37391
   45    43 S   HC   _H41    73     1.09757   110.52461   -76.16693
   46    37 S   CM   _C4_    39     1.34363   127.60539   125.42258
   47    46 S   HC   _H21    40     1.08557   119.42502    -0.38816
   48    43 S   C    _C6_    74     1.52019   115.60772   162.10093
   49    48 S   O    _O16    75     1.22247   126.18015    28.60309
   50    46 S   C3T  _C10    41     1.46946   125.93718  -179.66721
   51    48 S   OH   _O18    76     1.35975   111.10062  -152.09394
   52    51 S   HO   _H42    77     0.98175   115.09244  -179.34568
   53    50 S   CT   _C11    42     1.51931   115.92762   -89.91155
   54    50 S   O3T  _O17    52     1.44344   117.56810    51.63200
   55    53 S   CT   _C7_    43     1.54847   111.23026  -138.18779
   56    55 S   HC   _H23    44     1.09313   109.51133  -164.23922
   57    55 S   HC   _H24    45     1.09257   109.82372    78.43034
   58    53 S   CT   _C13    59     1.54264   108.92936   -19.36838
   59    58 S   HC   _H28    60     1.08220   108.69567    59.13470
   60    58 S   HC   _H29    61     1.08121   108.76366   -60.83593
   61    58 S   HC   _H30    62     1.08188   108.68849   179.08016
   62    53 S   CT   _C14    63     1.54001   110.38124    98.75685
   63    62 S   HC   _H31    64     1.08243   108.90773   -56.54584
   64    62 S   HC   _H32    65     1.08271   108.86795  -176.48364
   65    62 S   HC   _H33    66     1.08257   108.88193    63.50313
   66    55 S   CT   _C9_    46     1.52955   113.39596   -44.21386
   67    66 S   HC   _H27    47     1.06837   110.09272   -58.75781
   68    66 S   CT   _C8_    48     1.52779   110.62475    63.59762
   69    68 S   HC   _H25    49     1.09802   109.16518    74.29560
   70    68 S   HC   _H26    50     1.09854   109.15521  -169.39316
   71    66 S   OH   _O19    57     1.42485   108.42530  -176.72464
   72    71 S   HO   _H43    58     0.97128   106.68883   179.95577
   73    50 S   C3T  _C12    51     1.50885   116.42189   117.23686
   74    73 S   CT   _C15    53     1.49625   120.57043    -9.03749
   75    74 S   HC   _H34    54     1.10066   111.58163   -19.27822
   76    74 S   HC   _H35    55     1.10071   112.10849  -139.75151
   77    74 S   HC   _H36    56     1.09983   110.63229   100.28845
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   7   4   3  10   4   3
   2  22   1   1  18  12  18   7   6   9   3   2   1   5   2   1
   1   8   6   9   4   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    50    39    40    41    42    43    44    45    48    49    51  
   35    36  
   36  
    0  
   38    46    47    50    53    73    54    39    40    41    42    43    44    45    48  
   46    47    50    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    51    52    46  
   45    48    49    51  
   48    49    51  
   47    50    53    55    68    73    54    74    58    62  
   50    53    73    54  
   49    51    52  
   51    52  
   53    55    56    57    66    68    69    70    73    54    74    75    76    77    58    59    60    61    62    63    64    65  
   52  
    0  
   55    56    57    66    67    68    73    54    74    71    58    59    60    61    62    63    64    65  
   74    75    76    77    58    62    55    66    68    69    70    73  
   56    57    66    67    68    69    70    73    71    72    58    59    60    61    62    63    64    65  
   57    66    67    68    71    58    62  
   66    67    68    71    58    62  
   59    60    61    62    63    64    65    66    73  
   60    61    62  
   61    62  
   62  
   63    64    65    66    73  
   64    65  
   65  
    0  
   67    68    69    70    73    74    71    72  
   68    69    70    73    71    72  
   69    70    73    74    75    76    77    71    72  
   70    73    74    71  
   73    74    71  
   72    73  
    0  
   74    75    76    77  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    50   305.000  1.480
   50    53   275.000  1.510
   50    73   260.000  1.509
   50    54   335.000  1.432
   53    55   268.000  1.529
   53    58   268.000  1.529
   53    62   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   275.000  1.510
   73    54   335.000  1.432
   73    74   275.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   71    72   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    51   450.000  1.364
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    50    55.00000  125.06700
   46    37    38    35.00000  120.00000
   46    50    53    65.00000  117.55000
   46    50    73    60.00000  120.58800
   46    50    54    85.00000  114.23300
   50    46    47    40.00000  117.24000
   50    53    55    70.00000  112.37300
   50    53    58    70.00000  112.37300
   50    53    62    70.00000  112.37300
   50    73    68    60.00000  120.94000
   50    73    54    15.00000   60.43100
   50    73    74    60.00000  120.94000
   50    54    73    15.00000   59.14900
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    66    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    58.35000  112.70000
   55    66    71    50.00000  109.50000
   57    55    56    33.00000  107.80000
   66    55    56    37.50000  110.70000
   66    55    57    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    73    70.00000  112.37300
   66    71    72    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    73    54    80.00000  116.47100
   68    73    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   73    50    53    60.00000  120.94000
   73    68    69    45.00000  109.38400
   73    68    70    45.00000  109.38400
   73    74    75    45.00000  109.38400
   73    74    76    45.00000  109.38400
   73    74    77    45.00000  109.38400
   54    50    53    80.00000  116.47100
   54    50    73    15.00000   60.43100
   74    73    54    80.00000  116.47100
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   58    53    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    53    55    58.35000  112.70000
   62    53    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    51    70.00000  108.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    51    52    35.00000  113.00000
   51    48    49   100.00000  123.32000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    50   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    51   0.50000  1.0 1.0
   33    43    48    51   0.27300 -1.0 2.0
   33    43    48    51   0.22500  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    50    53   0.09850  1.0 1.0
   37    46    50    53   0.15250 -1.0 2.0
   37    46    50    53  -0.50650  1.0 3.0
   37    46    50    73   0.09850  1.0 1.0
   37    46    50    73   0.15250 -1.0 2.0
   37    46    50    73  -0.50650  1.0 3.0
   37    46    50    54   0.39000  1.0 1.0
   37    46    50    54  -0.05800 -1.0 2.0
   37    46    50    54  -0.55150  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    50   7.00000 -1.0 2.0
   46    50    53    55   0.34400  1.0 1.0
   46    50    53    55   0.09450 -1.0 2.0
   46    50    53    55   0.11100  1.0 3.0
   46    50    53    58   0.34400  1.0 1.0
   46    50    53    58   0.09450 -1.0 2.0
   46    50    53    58   0.11100  1.0 3.0
   46    50    53    62   0.34400  1.0 1.0
   46    50    53    62   0.09450 -1.0 2.0
   46    50    53    62   0.11100  1.0 3.0
   46    50    73    68   0.34400  1.0 1.0
   46    50    73    68   0.09450 -1.0 2.0
   46    50    73    68   0.11100  1.0 3.0
   46    50   -73    54   0.61850  1.0 1.0
   46    50   -73    54  -0.22750 -1.0 2.0
   46    50   -73    54   0.15300  1.0 3.0
   46    50    73    74   0.34400  1.0 1.0
   46    50    73    74   0.09450 -1.0 2.0
   46    50    73    74   0.11100  1.0 3.0
   46    50   -54    73  -0.77900  1.0 1.0
   46    50   -54    73  -0.36900 -1.0 2.0
   46    50   -54    73   0.40400  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    50    73   0.00000  1.0 1.0
   47    46    50    54   0.00000  1.0 1.0
   50    53    55    56   0.15000  1.0 3.0
   50    53    55    57   0.15000  1.0 3.0
   50    53    55    66   0.47050  1.0 1.0
   50    53    55    66   0.03900 -1.0 2.0
   50    53    55    66   0.20100  1.0 3.0
   50    53    58    59   0.15000  1.0 3.0
   50    53    58    60   0.15000  1.0 3.0
   50    53    58    61   0.15000  1.0 3.0
   50    53    62    63   0.15000  1.0 3.0
   50    53    62    64   0.15000  1.0 3.0
   50    53    62    65   0.15000  1.0 3.0
   50    73    74    75   0.15000  1.0 3.0
   50    73    74    76   0.15000  1.0 3.0
   50    73    74    77   0.15000  1.0 3.0
   53    50    73    68   0.56750  1.0 1.0
   53    50    73    68  -0.07550 -1.0 2.0
   53    50    73    68   0.20000  1.0 3.0
   53    50   -73    54   0.02550  1.0 1.0
   53    50   -73    54  -0.02600 -1.0 2.0
   53    50   -73    54   1.20400  1.0 3.0
   53    50    73    74   0.56750  1.0 1.0
   53    50    73    74  -0.07550 -1.0 2.0
   53    50    73    74   0.20000  1.0 3.0
   53    50   -54    73   0.06250  1.0 1.0
   53    50   -54    73  -0.01100 -1.0 2.0
   53    50   -54    73   0.28050  1.0 3.0
   53    55    66    67   0.15000  1.0 3.0
   53    55   -66    68   0.56750  1.0 1.0
   53    55   -66    68  -0.07550 -1.0 2.0
   53    55   -66    68   0.20000  1.0 3.0
   53    55    66    71   0.86500  1.0 1.0
   53    55    66    71  -0.17500 -1.0 2.0
   53    55    66    71   0.20800  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    64   0.15000  1.0 3.0
   55    53    62    65   0.15000  1.0 3.0
   55    66    68    69   0.15000  1.0 3.0
   55    66    68    70   0.15000  1.0 3.0
   55    66    68    73   0.47050  1.0 1.0
   55    66    68    73   0.03900 -1.0 2.0
   55    66    68    73   0.20100  1.0 3.0
   55    66    71    72  -0.11600  1.0 1.0
   55    66    71    72  -0.09450 -1.0 2.0
   55    66    71    72   0.21250  1.0 3.0
   56    55    66    67   0.15000  1.0 3.0
   56    55    66    68   0.15000  1.0 3.0
   56    55    66    71   0.23400  1.0 3.0
   57    55    66    67   0.15000  1.0 3.0
   57    55    66    68   0.15000  1.0 3.0
   57    55    66    71   0.23400  1.0 3.0
   66    68   -73    50   0.07850  1.0 1.0
   66    68   -73    50  -0.03950 -1.0 2.0
   66    68   -73    50   0.67350  1.0 3.0
   66    68    73    54   0.02550  1.0 1.0
   66    68    73    54  -0.02600 -1.0 2.0
   66    68    73    54   1.20400  1.0 3.0
   66    68    73    74   0.56750  1.0 1.0
   66    68    73    74  -0.07550 -1.0 2.0
   66    68    73    74   0.20000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72  -0.11600  1.0 1.0
   68    66    71    72  -0.09450 -1.0 2.0
   68    66    71    72   0.21250  1.0 3.0
   68    73   -54    50   0.06250  1.0 1.0
   68    73   -54    50  -0.01100 -1.0 2.0
   68    73   -54    50   0.28050  1.0 3.0
   68    73    74    75   0.15000  1.0 3.0
   68    73    74    76   0.15000  1.0 3.0
   68    73    74    77   0.15000  1.0 3.0
   69    68    73    50   0.15000  1.0 3.0
   69    68    73    54   0.23400  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   70    68    73    50   0.15000  1.0 3.0
   70    68    73    54   0.23400  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   73    50   -53    55   0.07850  1.0 1.0
   73    50   -53    55  -0.03950 -1.0 2.0
   73    50   -53    55   0.67350  1.0 3.0
   73    50    53    58   0.07850  1.0 1.0
   73    50    53    58  -0.03950 -1.0 2.0
   73    50    53    58   0.67350  1.0 3.0
   73    50    53    62   0.07850  1.0 1.0
   73    50    53    62  -0.03950 -1.0 2.0
   73    50    53    62   0.67350  1.0 3.0
   54    50    53    55   0.02550  1.0 1.0
   54    50    53    55  -0.02600 -1.0 2.0
   54    50    53    55   1.20400  1.0 3.0
   54    50    53    58   0.02550  1.0 1.0
   54    50    53    58  -0.02600 -1.0 2.0
   54    50    53    58   1.20400  1.0 3.0
   54    50    53    62   0.02550  1.0 1.0
   54    50    53    62  -0.02600 -1.0 2.0
   54    50    53    62   1.20400  1.0 3.0
   54    50   -73    68   0.02550  1.0 1.0
   54    50   -73    68  -0.02600 -1.0 2.0
   54    50   -73    68   1.20400  1.0 3.0
   54    50   -73    74   0.02550  1.0 1.0
   54    50   -73    74  -0.02600 -1.0 2.0
   54    50   -73    74   1.20400  1.0 3.0
   54    73    74    75   0.23400  1.0 3.0
   54    73    74    76   0.23400  1.0 3.0
   54    73    74    77   0.23400  1.0 3.0
   74    73   -54    50   0.06250  1.0 1.0
   74    73   -54    50  -0.01100 -1.0 2.0
   74    73   -54    50   0.28050  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    73   0.86500  1.0 1.0
   71    66    68    73  -0.17500 -1.0 2.0
   71    66    68    73   0.20800  1.0 3.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53    55    66   0.56750  1.0 1.0
   58    53    55    66  -0.07550 -1.0 2.0
   58    53    55    66   0.20000  1.0 3.0
   58    53    62    63   0.15000  1.0 3.0
   58    53    62    64   0.15000  1.0 3.0
   58    53    62    65   0.15000  1.0 3.0
   62    53    55    56   0.15000  1.0 3.0
   62    53    55    57   0.15000  1.0 3.0
   62    53    55    66   0.56750  1.0 1.0
   62    53    55    66  -0.07550 -1.0 2.0
   62    53    55    66   0.20000  1.0 3.0
   62    53    58    59   0.15000  1.0 3.0
   62    53    58    60   0.15000  1.0 3.0
   62    53    58    61   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    51    52   1.50000  1.0 1.0
   43    48    51    52   2.45000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    51   0.00000  1.0 1.0
   49    48    51    52   0.92200  1.0 1.0
   49    48    51    52   3.74100 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   50    47    46    37  15.00000 -1.0 2.0
   43    51    48    49  10.50000 -1.0 2.0
END
