* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    142    231     422
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02110    84.95097   -76.93127
    3     1 S   H    _H1_     3     1.02082    95.12937    31.44212
    4     1 S   H    _H2_     4     1.02112    33.86360   147.84232
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.86555    96.43478  -178.15040
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C21    37     1.52902   107.17831   179.97202
   38    33 S   CO4  _C11    71     1.54577   104.01109   -63.14293
   39    38 S   O    _O34    72     1.22815   123.34920    94.35009
   40    37 S   CA   _C20    38     1.48389   115.83387   -97.66305
   41    37 S   CM   _C22    61     1.35168   122.86620    90.85627
   42    40 S   CA   _C15    39     1.40689   117.83546   -40.60190
   43    41 S   CA   _C9_    62     1.47560   120.68195    -3.01311
   44    41 S   OH   _O35    78     1.38312   121.86331   172.65479
   45    44 S   HO   _H13    79     0.96227   109.79590  -175.85509
   46    42 S   CA   _C16    40     1.40120   120.04676  -177.44848
   47    46 S   HA   _H11    41     1.08689   120.00487   178.69644
   48    42 S   CT   _C14    53     1.50878   119.14945     3.97877
   49    48 S   HC   _H4_    54     1.09643   109.66526   163.46369
   50    43 S   CA   _C8_    63     1.40390   122.35929  -163.12015
   51    50 S   HA   _H10    64     1.08639   121.42945     2.70161
   52    46 S   CA   _C17    42     1.39378   120.18482    -1.50870
   53    33 S   CT   _C13    55     1.57281   111.33132    55.19882
   54    53 S   HC   _H3_    56     1.08107   109.86977   -97.47568
   55    48 S   OH   _O38    59     1.42283   109.09273   -77.69822
   56    55 S   HO   _H18    60     0.96898   106.32885  -179.97202
   57    50 S   CA   _C7_    65     1.39769   120.96462  -177.48308
   58    57 S   HA   _H9_    66     1.08663   119.90855   179.82086
   59    52 S   CA   _C18    43     1.39320   119.96727    -0.28736
   60    59 S   HA   _H12    44     1.08831   120.02549  -178.44884
   61    52 S   CT   _C23    48     1.49057   120.01315  -179.98022
   62    61 S   HC   _H15    49     1.09836   111.42794  -134.99761
   63    61 S   HC   _H16    50     1.09831   111.19538   -15.17719
   64    53 S   OH   _O39    57     1.43323   112.00829    20.90969
   65    64 S   HO   _H19    58     0.96901   106.26767  -175.18001
   66    57 S   CA   _C6_    67     1.39170   120.19058    -0.06256
   67    66 S   HA   _H8_    68     1.08674   119.56919   179.41283
   68    40 S   CA   _C19    45     1.40245   123.03453   139.25511
   69    61 S   OH   _O37    51     1.42256   109.39679   104.89264
   70    69 S   HO   _H17    52     0.97014   106.73684   179.97202
   71    66 S   CA   _C5_    69     1.39215   119.80584    -0.86434
   72    68 S   OH   _O36    46     1.36504   121.70740    -4.25791
   73    72 S   HO   _H14    47     0.96895   110.08582  -177.68903
   74    43 S   CA   _C10    70     1.40037   119.68733    17.97655
   75    71 S   OS   _O33    73     1.36193   116.90063  -179.10759
   76    75 S   CT   _C4_    74     1.42482   116.96459    89.48045
   77    76 S   HC   _H5_    75     1.09356   109.52292   180.00000
   78    76 S   HC   _H6_    76     1.09262   109.55437    59.22002
   79    76 S   HC   _H7_    77     1.09279   109.01062   -60.43691
  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  11   5   4   3
  18   2   1   1  18  13   4  16  11  14  10   3   1  13   4   9
   5   7   4   9   6   3   2   1   6   3   8   3   5   3   2   1
   1   5   3   2   1   1   6   1   1   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    53    54    64    41    74    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    68    48    49    53    54    64    65    55    41    43    71    74    38    39    44  
   35    36  
   36  
    0  
   40    42    46    59    68    72    48    53    54    64    41    43    50    74    38    39    44    45  
   39    75    40    41    43    48    50    53    54    64    66    71    74  
   43    53    71    74  
   42    46    47    52    59    60    68    72    73    48    49    53    55    41    43    44  
   43    50    51    57    71    74    44    45    42    53    68  
   46    47    52    59    68    72    61    48    49    53    54    64    55    56  
   50    51    57    58    66    71    74    75    44    45  
   45    50    74  
    0  
   47    52    59    60    68    61    62    63    69    48    49    53    55  
   52    59    61    48  
   49    53    54    64    65    55    56    52    68  
   53    54    64    55    56  
   51    57    58    66    67    71    74  
   57    58    66    74  
   59    60    68    72    61    62    63    69    70  
   54    64    65    55    56    74  
   64    65    55  
   56    64  
    0  
   58    66    67    71    74    75  
   66    67    71  
   60    68    72    73    61    62    63    69  
   68    72    61  
   62    63    69    70    68  
   63    69    70  
   69    70  
   65  
    0  
   67    71    74    75    76  
   71    74    75  
   72    73  
   70  
    0  
   74    75    76    77    78    79  
   73  
    0  
   75    76  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   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    53   268.000  1.529
   33    38   317.000  1.522
   37    40   320.000  1.460
   37    41   549.000  1.340
   40    42   469.000  1.400
   40    68   469.000  1.400
   42    46   469.000  1.400
   42    48   317.000  1.510
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    59   469.000  1.400
   52    61   317.000  1.510
   59    60   367.000  1.080
   59    68   469.000  1.400
   68    72   450.000  1.364
   72    73   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   320.000  1.410
   69    70   553.000  0.945
   48    49   340.000  1.090
   48    53   268.000  1.529
   48    55   320.000  1.410
   53    54   340.000  1.090
   53    64   320.000  1.410
   64    65   553.000  0.945
   55    56   553.000  0.945
   41    43   320.000  1.460
   41    44   510.000  1.338
   43    50   469.000  1.400
   43    74   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   57    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    74   469.000  1.400
   71    75   450.000  1.364
   74    38   310.000  1.470
   38    39   570.000  1.229
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   44    45   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    53    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    65.00000  118.87000
   33    37    41    70.00000  124.00000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    64    50.00000  109.50000
   33    38    74    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    42    60.00000  120.93500
   37    40    68    60.00000  120.93500
   37    41    43    60.00000  123.20500
   37    41    44    80.00000  121.38400
   40    42    46    63.00000  120.00000
   40    42    48    70.00000  120.00000
   40    68    59    63.00000  120.00000
   40    68    72    70.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    52    63.00000  120.00000
   42    48    49    35.00000  109.50000
   42    48    53    70.00000  112.17500
   42    48    55    90.00000  112.51600
   46    52    59    63.00000  120.00000
   46    52    61    70.00000  120.00000
   52    46    47    35.00000  120.00000
   52    59    60    35.00000  120.00000
   52    59    68    63.00000  120.00000
   52    61    62    35.00000  109.50000
   52    61    63    35.00000  109.50000
   52    61    69    90.00000  112.51600
   59    68    72    70.00000  120.00000
   68    40    42    63.00000  120.00000
   68    59    60    35.00000  120.00000
   68    72    73    35.00000  113.00000
   61    52    59    70.00000  120.00000
   61    69    70    55.00000  108.50000
   63    61    62    33.00000  107.80000
   69    61    62    35.00000  109.50000
   69    61    63    35.00000  109.50000
   48    42    46    70.00000  120.00000
   48    53    54    37.50000  110.70000
   48    53    64    50.00000  109.50000
   48    55    56    55.00000  108.50000
   53    33    37    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    64    65    55.00000  108.50000
   64    53    54    35.00000  109.50000
   55    48    49    35.00000  109.50000
   55    48    53    50.00000  109.50000
   41    37    40    60.00000  123.20500
   41    43    50    60.00000  120.93500
   41    43    74    60.00000  120.93500
   41    44    45    70.00000  107.45700
   43    50    51    35.00000  120.00000
   43    50    57    63.00000  120.00000
   43    74    71    63.00000  120.00000
   43    74    38    60.00000  119.52600
   50    57    58    35.00000  120.00000
   50    57    66    63.00000  120.00000
   57    50    51    35.00000  120.00000
   57    66    67    35.00000  120.00000
   57    66    71    63.00000  120.00000
   66    57    58    35.00000  120.00000
   66    71    74    63.00000  120.00000
   66    71    75    70.00000  120.00000
   71    66    67    35.00000  120.00000
   71    74    38    60.00000  119.52600
   71    75    76    75.00000  111.00000
   74    43    50    63.00000  120.00000
   74    38    39    75.00000  123.78400
   38    33    37    70.00000  109.06800
   38    33    53    63.00000  111.10000
   75    71    74    70.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   44    41    43    85.00000  114.86500
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    64   0.56750  1.0 1.0
   29    33    53    64  -0.07550 -1.0 2.0
   29    33    53    64   0.20000  1.0 3.0
   29    33    38    74   0.65300  1.0 1.0
   29    33    38    74  -0.03850 -1.0 2.0
   29    33    38    74   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    42  -0.02500  1.0 1.0
   33    37    40    42  -0.32150 -1.0 2.0
   33    37    40    42  -0.01500  1.0 3.0
   33    37    40    68  -0.02500  1.0 1.0
   33    37    40    68  -0.32150 -1.0 2.0
   33    37    40    68  -0.01500  1.0 3.0
   33    37    41    43   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    53    64    65  -0.11600  1.0 1.0
   33    53    64    65  -0.09450 -1.0 2.0
   33    53    64    65   0.21250  1.0 3.0
   37    33    53    48   0.34400  1.0 1.0
   37    33    53    48   0.09450 -1.0 2.0
   37    33    53    48   0.11100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    64   1.05650  1.0 1.0
   37    33    53    64   0.15600 -1.0 2.0
   37    33    53    64   0.53150  1.0 3.0
   37    33    38    74   0.65300  1.0 1.0
   37    33    38    74  -0.03850 -1.0 2.0
   37    33    38    74   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    42    46   3.62500 -1.0 2.0
   37    40   -42    48   3.62500 -1.0 2.0
   37    40    68    59   3.62500 -1.0 2.0
   37    40    68    72   3.62500 -1.0 2.0
   37    41    43    50   0.15800  1.0 1.0
   37    41    43    50   1.85350 -1.0 2.0
   37    41    43    50  -0.48700  1.0 3.0
   37    41   -43    74   0.15800  1.0 1.0
   37    41   -43    74   1.85350 -1.0 2.0
   37    41   -43    74  -0.48700  1.0 3.0
   37    41    44    45  -0.66100  1.0 1.0
   37    41    44    45   1.20850 -1.0 2.0
   37    41    44    45  -0.36000  1.0 3.0
   40    37    41    43   7.00000 -1.0 2.0
   40    37    41    44   7.00000 -1.0 2.0
   40    42    46    47   3.62500 -1.0 2.0
   40    42    46    52   3.62500 -1.0 2.0
   40    42    48    49   0.00000  1.0 1.0
   40    42    48    53   0.04150 -1.0 2.0
   40    42    48    55   0.14300 -1.0 2.0
   40    42    48    55   0.00300  1.0 3.0
   40    68    72    73   0.84100 -1.0 2.0
   42    40    68    59   3.62500 -1.0 2.0
   42    40    68    72   3.62500 -1.0 2.0
   42    46   -52    59   3.62500 -1.0 2.0
   42    46    52    61   3.62500 -1.0 2.0
   42    48   -53    33  -0.03700  1.0 1.0
   42    48   -53    33   0.37200 -1.0 2.0
   42    48   -53    33  -0.47300  1.0 3.0
   42    48    53    54   0.43200  1.0 3.0
   42    48    53    64   1.13150  1.0 1.0
   42    48    53    64  -1.01400 -1.0 2.0
   42    48    55    56   0.31900  1.0 1.0
   42    48    55    56  -0.11800 -1.0 2.0
   42    48    55    56   0.38750  1.0 3.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    53   0.04150 -1.0 2.0
   46    42    48    55   0.14300 -1.0 2.0
   46    42    48    55   0.00300  1.0 3.0
   46    52    59    60   3.62500 -1.0 2.0
   46    52    59    68   3.62500 -1.0 2.0
   46    52    61    62   0.00000  1.0 1.0
   46    52    61    63   0.00000  1.0 1.0
   46    52    61    69   0.14300 -1.0 2.0
   46    52    61    69   0.00300  1.0 3.0
   47    46    52    59   3.62500 -1.0 2.0
   47    46    52    61   3.62500 -1.0 2.0
   52    59   -68    40   3.62500 -1.0 2.0
   52    59    68    72   3.62500 -1.0 2.0
   52    61    69    70   0.31900  1.0 1.0
   52    61    69    70  -0.11800 -1.0 2.0
   52    61    69    70   0.38750  1.0 3.0
   59    52    61    62   0.00000  1.0 1.0
   59    52    61    63   0.00000  1.0 1.0
   59    52    61    69   0.14300 -1.0 2.0
   59    52    61    69   0.00300  1.0 3.0
   59    68    72    73   0.84100 -1.0 2.0
   60    59    68    40   3.62500 -1.0 2.0
   60    59    68    72   3.62500 -1.0 2.0
   68    40   -42    46   3.62500 -1.0 2.0
   68    40    42    48   3.62500 -1.0 2.0
   61    52    59    60   3.62500 -1.0 2.0
   61    52    59    68   3.62500 -1.0 2.0
   62    61    69    70   0.19450  1.0 3.0
   63    61    69    70   0.19450  1.0 3.0
   48    42    46    47   3.62500 -1.0 2.0
   48    42    46    52   3.62500 -1.0 2.0
   48    53    64    65  -0.11600  1.0 1.0
   48    53    64    65  -0.09450 -1.0 2.0
   48    53    64    65   0.21250  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    64   0.23400  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   53    33   -37    40  -0.01700  1.0 1.0
   53    33   -37    40   0.06550 -1.0 2.0
   53    33   -37    40  -0.91500  1.0 3.0
   53    33    37    41   0.09850  1.0 1.0
   53    33    37    41   0.15250 -1.0 2.0
   53    33    37    41  -0.50650  1.0 3.0
   53    33    38    74   0.05850 -1.0 2.0
   53    33    38    74   0.17250  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    48    55    56  -0.11600  1.0 1.0
   53    48    55    56  -0.09450 -1.0 2.0
   53    48    55    56   0.21250  1.0 3.0
   54    53    64    65   0.19450  1.0 3.0
   55    48    53    33   0.86500  1.0 1.0
   55    48    53    33  -0.17500 -1.0 2.0
   55    48    53    33   0.20800  1.0 3.0
   55    48    53    54   0.23400  1.0 3.0
   55    48    53    64   3.75450  1.0 1.0
   41    37    40    42   0.15800  1.0 1.0
   41    37    40    42   1.85350 -1.0 2.0
   41    37    40    42  -0.48700  1.0 3.0
   41    37    40    68   0.15800  1.0 1.0
   41    37    40    68   1.85350 -1.0 2.0
   41    37    40    68  -0.48700  1.0 3.0
   41    43    50    51   3.62500 -1.0 2.0
   41    43    50    57   3.62500 -1.0 2.0
   41    43    74    71   3.62500 -1.0 2.0
   41    43    74    38   3.62500 -1.0 2.0
   43    41    44    45   2.00000 -1.0 2.0
   43    50    57    58   3.62500 -1.0 2.0
   43    50    57    66   3.62500 -1.0 2.0
   43    74   -38    33   2.26350  1.0 1.0
   43    74   -38    33   0.76750 -1.0 2.0
   43    74   -38    33   0.22500  1.0 3.0
   43    74    38    39   1.05000 -1.0 2.0
   50    43    74    71   3.62500 -1.0 2.0
   50    43    74    38   3.62500 -1.0 2.0
   50    57    66    67   3.62500 -1.0 2.0
   50    57   -66    71   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   51    50    57    66   3.62500 -1.0 2.0
   57    66    71    74   3.62500 -1.0 2.0
   57    66    71    75   3.62500 -1.0 2.0
   58    57    66    67   3.62500 -1.0 2.0
   58    57    66    71   3.62500 -1.0 2.0
   66    71   -74    43   3.62500 -1.0 2.0
   66    71    74    38   3.62500 -1.0 2.0
   66    71    75    76   1.63200 -1.0 2.0
   67    66    71    74   3.62500 -1.0 2.0
   67    66    71    75   3.62500 -1.0 2.0
   71    74    38    33   2.26350  1.0 1.0
   71    74    38    33   0.76750 -1.0 2.0
   71    74    38    33   0.22500  1.0 3.0
   71    74    38    39   1.05000 -1.0 2.0
   71    75    76    77   0.08050  1.0 3.0
   71    75    76    78   0.08050  1.0 3.0
   71    75    76    79   0.08050  1.0 3.0
   74    43    50    51   3.62500 -1.0 2.0
   74    43   -50    57   3.62500 -1.0 2.0
   74    71    75    76   1.63200 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33   -37    41  -0.51250  1.0 1.0
   38    33   -37    41  -0.88800 -1.0 2.0
   38    33   -37    41   0.08850  1.0 3.0
   38    33    53    48  -0.95700  1.0 1.0
   38    33    53    48  -0.18200 -1.0 2.0
   38    33    53    48   0.29450  1.0 3.0
   38    33    53    54  -0.11250  1.0 3.0
   38    33    53    64  -0.09450  1.0 1.0
   38    33    53    64  -1.12950 -1.0 2.0
   38    33    53    64   0.54000  1.0 3.0
   75    71    74    43   3.62500 -1.0 2.0
   75    71    74    38   3.62500 -1.0 2.0
   44    41    43    50  -0.01750  1.0 1.0
   44    41    43    50  -0.32000 -1.0 2.0
   44    41    43    50   0.00600  1.0 3.0
   44    41    43    74  -0.01750  1.0 1.0
   44    41    43    74  -0.32000 -1.0 2.0
   44    41    43    74   0.00600  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   42    68    40    37   4.00000 -1.0 2.0
   46    48    42    40   4.00000 -1.0 2.0
   52    47    46    42   1.10000 -1.0 2.0
   59    61    52    46   4.00000 -1.0 2.0
   68    60    59    52   1.10000 -1.0 2.0
   59    72    68    40   4.00000 -1.0 2.0
   43    44    41    37   1.10000 -1.0 2.0
   50    74    43    41   4.00000 -1.0 2.0
   57    51    50    43   1.10000 -1.0 2.0
   66    58    57    50   1.10000 -1.0 2.0
   71    67    66    57   1.10000 -1.0 2.0
   74    75    71    66   4.00000 -1.0 2.0
   71    38    74    43   4.00000 -1.0 2.0
   33    74    38    39  10.50000 -1.0 2.0
END
