* LIGAND DATABASE FILE (OPLS2005)
*
001      78    77    139    205     413
    1     0 S   NP   _N1_     1    29.13434    93.89493   -23.06862
    2     1 S   H    _HN1     2     1.02772    98.11969  -104.13461
    3     1 S   H    _H1_     3     1.02955    90.92219     4.57320
    4     1 S   H    _H2_     4     1.02853    23.29167   139.11785
    5     1 S   CT   _CA1     5     1.50090   133.39575   124.34359
    6     5 S   HC   _HA1     6     1.09571   105.25704    65.47484
    7     5 S   CO3  _C1_     7     1.53793   112.31814   -54.82895
    8     7 S   O2Z  _O11     8     1.26364   114.98146   -45.24665
    9     7 S   O2Z  _O12     9     1.26225   114.90547   133.99785
   10     5 S   CT   _CB1    10     1.53130   107.53236  -176.51867
   11    10 S   HC   HB11    11     1.09827   109.46528   -50.27447
   12    10 S   HC   HB12    12     1.09821   110.40416    66.32094
   13    10 S   CT   _CG1    13     1.53046   112.57693  -171.30774
   14    13 S   HC   HG11    14     1.09590   110.51869   -62.36446
   15    13 S   HC   HG12    15     1.09648   109.93927    56.87047
   16    13 S   C    _CD1    16     1.51763   112.30638   177.35958
   17    16 S   O    _OE1    17     1.22791   123.28490    -0.35222
   18    16 S   N    _N2_    18     1.38716   111.73147   179.86294
   19    18 S   H    _HN2    19     1.01586   119.15102     2.91000
   20    18 S   CT1  _CA2    20     1.46083   123.24058  -178.84971
   21    20 S   HC   _HA2    21     1.09404   108.79592     5.44158
   22    20 S   C    _C2_    22     1.53519   109.81523  -109.68787
   23    22 S   O    _O2_    23     1.23065   121.96921  -150.31779
   24    20 S   CT   _CB2    32     1.53379   111.90743   127.03416
   25    24 S   HC   HB21    33     1.09651   109.63979    65.54339
   26    24 S   HC   HB22    34     1.09579   110.72416  -177.19411
   27    22 S   N    _N3_    24     1.38444   113.81874    37.42987
   28    27 S   H    _HN3    25     1.01389   119.08208    -2.62391
   29    24 S   S    _SG2    35     1.82918   114.93239   -54.35184
   30    27 S   CT   _CA3    26     1.45451   123.30442   173.10150
   31    30 S   HC   HA31    27     1.09529   109.05719    27.73679
   32    30 S   HC   HA32    28     1.09480   107.05997   144.92818
   33    29 S   CT   _C12    36     1.82747    99.98952   -62.50188
   34    33 S   HC   _H16    37     1.09305   108.24719    64.29422
   35    33 S   HC   _H17    38     1.09470   108.14798   -54.22979
   36    30 S   CO3  _C3_    29     1.53035   113.82518   -95.19979
   37    36 S   O2Z  _O31    30     1.26426   115.94155   -23.24735
   38    36 S   O2Z  _O32    31     1.26383   114.63022   157.64047
   39    33 S   CT   _C11    39     1.53673   110.48110  -175.65720
   40    39 S   HC   _H5_    40     1.09673   110.30503   -45.73297
   41    39 S   CT   _C10    41     1.54340   110.95284  -165.77669
   42    41 S   HC   _H4_    42     1.09539   107.48904    54.75321
   43    39 S   OH   _O34    77     1.42699   109.08009    72.39369
   44    43 S   HO   _H18    78     0.97330   107.17944    69.20743
   45    41 S   CT   _C9_    43     1.53827   113.54222   176.69039
   46    45 S   HC   _H3_    44     1.09547   110.42125   -52.51774
   47    41 S   OH   _O35    75     1.43009   108.54533   -61.34942
   48    47 S   HO   _H19    76     0.97339   107.59724   163.70880
   49    45 S   CO4  _C8_    45     1.53116   112.30558  -172.03740
   50    49 S   O    _O33    46     1.23284   121.94706  -114.21347
   51    45 S   OH   _O36    73     1.42052   111.18017    66.29752
   52    51 S   HO   _H20    74     0.97328   107.24613    55.07540
   53    49 S   CT   _C7_    47     1.51620   117.39692    64.61096
   54    53 S   HC   _H14    48     1.09534   108.80651    24.76726
   55    53 S   HC   _H15    49     1.09528   108.89066   142.38988
   56    53 S   NT   _N4_    50     1.45599   106.85550   -96.63994
   57    56 S   H    _H13    51     1.02061   109.87277   -66.02461
   58    56 S   CT   _C6_    52     1.46059   111.83163   171.97831
   59    58 S   HC   _H11    53     1.09664   110.50792   -53.92865
   60    58 S   HC   _H12    54     1.09624   109.94731    64.99012
   61    58 S   CT   _C5_    55     1.53229   110.41603  -174.49580
   62    61 S   HC   _H9_    56     1.09740   109.69176   -58.62739
   63    61 S   HC   _H10    57     1.09698   108.54222  -174.87486
   64    61 S   CT   _C4_    58     1.53475   112.73851    64.10267
   65    64 S   HC   _H7_    59     1.09586   109.00393    59.20384
   66    64 S   HC   _H8_    60     1.09547   109.78513   -57.94164
   67    64 S   CT   _C13    61     1.53389   111.15556  -179.17813
   68    67 S   HC   _H21    62     1.09784   109.08476   -59.51357
   69    67 S   HC   _H22    63     1.09762   108.76210    55.78120
   70    67 S   CT   _C14    64     1.53360   114.31788   177.91287
   71    70 S   HC   _H6_    65     1.09662   108.69834   178.64145
   72    70 S   CO3  _C15    66     1.53904   111.48266   -63.04086
   73    72 S   O2Z  _O38    67     1.26343   115.37008   117.89561
   74    72 S   O2Z  _O37    68     1.26349   115.07607   -62.07484
   75    70 S   NP   _N5_    69     1.49515   109.18195    65.02675
   76    75 S   H    _H23    70     1.03026   111.87242   -74.77288
   77    75 S   H    _H24    71     1.03475   110.47079   166.52174
   78    75 S   H    _H25    72     1.02682   112.56280    47.58795
  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   7   5   4   3
  10   5   4   2   1   1  11   6  12   7   3   1  11   6   3   1
   9   5   2   1   8   4   3   8   4   9   5   4   9   5   4   9
   5   4  11   5   4   8   7   6   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    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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    51    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    53    51    52    47    48    43    44  
   45    46    49    51    47    48    43  
   44    45    47  
    0  
   46    49    50    53    54    55    56    51    52    47    48  
   49    50    53    51    52    47  
   48    49    51  
    0  
   50    53    54    55    56    57    58    51    52  
   53    54    55    56    51  
   52    53  
    0  
   54    55    56    57    58    59    60    61  
   55    56    57    58  
   56    57    58  
   57    58    59    60    61    62    63    64  
   58    59    60    61  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72    75  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76    77    78  
   69    70    71    72    75  
   70    71    72    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.080000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   73   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   74   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   75   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   76   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.210000   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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   317.000  1.522
   45    51   320.000  1.410
   49    50   570.000  1.229
   49    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   382.000  1.448
   56    57   434.000  1.010
   56    58   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   317.000  1.522
   70    75   367.000  1.471
   72    73   656.000  1.250
   72    74   656.000  1.250
   75    76   434.000  1.010
   75    77   434.000  1.010
   75    78   434.000  1.010
   51    52   553.000  0.945
   47    48   553.000  0.945
   43    44   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    63.00000  111.10000
   41    45    51    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    80.00000  120.40000
   45    49    53    70.00000  116.00000
   45    51    52    55.00000  108.50000
   49    45    46    35.00000  109.50000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    75.00000  112.82000
   53    49    50    80.00000  120.40000
   53    56    57    35.00000  109.50000
   53    56    58    51.80000  107.20000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    56.20000  109.47000
   58    56    57    35.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    70.00000  109.69300
   67    70    75    80.00000  111.20000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    70.00000  117.00000
   70    72    74    70.00000  117.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   72    70    71    35.00000  109.50000
   74    72    73    80.00000  126.00000
   75    70    71    35.00000  109.50000
   75    70    72    80.00000  109.26000
   77    75    76    35.00000  109.50000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   51    45    46    35.00000  109.50000
   51    45    49    90.00000  109.61100
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49  -0.95700  1.0 1.0
   39    41    45    49  -0.18200 -1.0 2.0
   39    41    45    49   0.29450  1.0 3.0
   39    41    45    51   0.86500  1.0 1.0
   39    41    45    51  -0.17500 -1.0 2.0
   39    41    45    51   0.20800  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.30150 -1.0 2.0
   41    45    49    53   0.60050  1.0 1.0
   41    45    49    53   0.05600 -1.0 2.0
   41    45    49    53   0.26150  1.0 3.0
   41    45    51    52  -0.11600  1.0 1.0
   41    45    51    52  -0.09450 -1.0 2.0
   41    45    51    52   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49  -0.11250  1.0 3.0
   42    41    45    51   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56  -0.05600  1.0 1.0
   45    49    53    56   0.24350 -1.0 2.0
   45    49    53    56   1.01150  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   46    45    51    52   0.19450  1.0 3.0
   49    45    51    52   0.91850  1.0 1.0
   49    45    51    52   0.57950  1.0 3.0
   49    53    56    57   0.21900  1.0 1.0
   49    53    56    57  -0.24900 -1.0 2.0
   49    53    56    57   0.15200  1.0 3.0
   49    53    56    58  -1.76800  1.0 1.0
   49    53    56    58   1.02600 -1.0 2.0
   49    53    56    58   0.19700  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   50    49    53    56   0.30150 -1.0 2.0
   53    56    58    59   0.28000  1.0 3.0
   53    56    58    60   0.28000  1.0 3.0
   53    56    58    61   0.23450  1.0 1.0
   53    56    58    61   0.02050 -1.0 2.0
   53    56    58    61   0.25250  1.0 3.0
   54    53    56    57   0.20000  1.0 3.0
   54    53    56    58   0.28000  1.0 3.0
   55    53    56    57   0.20000  1.0 3.0
   55    53    56    58   0.28000  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58    61    63   0.15000  1.0 3.0
   56    58    61    64   1.53400  1.0 1.0
   56    58    61    64  -0.09950 -1.0 2.0
   56    58    61    64   0.05700  1.0 3.0
   57    56    58    59   0.20000  1.0 3.0
   57    56    58    60   0.20000  1.0 3.0
   57    56    58    61  -0.05950  1.0 1.0
   57    56    58    61   0.08850 -1.0 2.0
   57    56    58    61   0.11750  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.56750  1.0 1.0
   58    61    64    67  -0.07550 -1.0 2.0
   58    61    64    67   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72  -1.63150  1.0 1.0
   64    67    70    72  -0.43550 -1.0 2.0
   64    67    70    72   0.24500  1.0 3.0
   64    67    70    75   1.36600  1.0 1.0
   64    67    70    75  -0.11450 -1.0 2.0
   64    67    70    75   0.24250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   0.41150 -1.0 2.0
   67    70    72    74   0.41150 -1.0 2.0
   67    70    75    76   0.17350  1.0 3.0
   67    70    75    77   0.17350  1.0 3.0
   67    70    75    78   0.17350  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72  -0.11250  1.0 3.0
   68    67    70    75   0.19200  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72  -0.11250  1.0 3.0
   69    67    70    75   0.19200  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    75    76   0.13050  1.0 3.0
   71    70    75    77   0.13050  1.0 3.0
   71    70    75    78   0.13050  1.0 3.0
   72    70    75    76   0.17350  1.0 3.0
   72    70    75    77   0.17350  1.0 3.0
   72    70    75    78   0.17350  1.0 3.0
   75    70    72    73   0.30150 -1.0 2.0
   75    70    72    74   0.30150 -1.0 2.0
   51    45    49    50   0.30150 -1.0 2.0
   51    45    49    53   0.55300  1.0 1.0
   51    45    49    53   1.25850 -1.0 2.0
   51    45    49    53  -0.23600  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49  -0.09450  1.0 1.0
   47    41    45    49  -1.12950 -1.0 2.0
   47    41    45    49   0.54000  1.0 3.0
   47    41    45    51   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  1.0 1.0
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
   45    53    49    50  10.50000 -1.0 2.0
   73    70    72    74  10.50000 -1.0 2.0
END
