* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    146    224     423
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02112    93.78425   -62.56868
    3     1 S   H    _H1_     3     1.02044    86.51120    45.91942
    4     1 S   H    _H2_     4     1.02082    33.35921   178.57275
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C22    36     1.81233    98.14266  -178.21732
   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   N    _N5_    37     1.44139   109.88874    80.00222
   38    37 S   H    _H22    38     1.01453   120.47926   -47.85802
   39    33 S   OH   _O35    80     1.42224   111.07750   -39.28929
   40    39 S   HO   _H23    81     0.97048   106.72371   -59.52150
   41    37 S   C    _C21    39     1.38330   118.96490   132.07179
   42    41 S   O    _O34    40     1.22685   124.51466   178.20485
   43    41 S   CT   _C20    41     1.51545   111.96502    -0.74019
   44    43 S   HC   _H3_    42     1.09492   108.34334   105.82757
   45    33 S   S    _S1_    43     1.80957   111.14938  -163.42783
   46    43 S   CT   _C19    44     1.51848   111.60475  -132.02037
   47    46 S   HC   _H20    45     1.09762   109.89041    77.32354
   48    46 S   HC   _H21    46     1.09788   109.84686   -38.79619
   49    46 S   CA   _C16    47     1.50718   111.96229  -160.70025
   50    49 S   CA   _C15    48     1.39545   120.00039   -90.03659
   51    50 S   HA   _H17    49     1.08754   120.45625     0.00000
   52    50 S   CA   _C14    50     1.39388   120.02754  -179.96574
   53    52 S   HA   _H16    51     1.08708   119.69350   179.98022
   54    52 S   CA   _C13    52     1.39486   119.98673    -0.07402
   55    54 S   CA   _C18    53     1.39493   120.03326     0.10087
   56    55 S   HA   _H19    54     1.08591   120.37426   179.98022
   57    54 S   OS   _O33    57     1.36176   119.99934   179.95577
   58    49 S   CA   _C17    55     1.39473   120.02332    89.98154
   59    58 S   HA   _H18    56     1.08660   120.48311    -0.03956
   60    57 S   CT   _C12    58     1.42692   117.06992   150.04438
   61    60 S   HC   _H14    59     1.09449   107.80225    90.00910
   62    60 S   HC   _H15    60     1.09485   108.77563   -27.76502
   63    60 S   CT   _C11    61     1.52585   109.70453  -150.48286
   64    63 S   HC   _H12    62     1.09709   109.63880   -60.68419
   65    63 S   HC   _H13    63     1.09781   108.95124  -177.06202
   66    63 S   CA   _C9_    64     1.50191   112.79103    61.72172
   67    66 S   CA   _C8_    65     1.38496   119.35542    90.00728
   68    67 S   HA   _H10    66     1.08488   121.69382    -0.09487
   69    67 S   CA   _C7_    67     1.39078   117.89962   180.00000
   70    69 S   HA   _H9_    68     1.08693   119.67551   179.89913
   71    69 S   CA   _C6_    69     1.39031   119.74190    -0.02798
   72    71 S   CA   _C10    70     1.38571   117.87989    -0.03426
   73    72 S   HA   _H11    71     1.08585   121.19465   180.00000
   74    71 S   CT   _C5_    73     1.48732   121.04708  -179.97202
   75    74 S   HC   _H7_    74     1.10296   110.58418    31.89885
   76    74 S   HC   _H8_    75     1.10305   110.61441   148.00191
   77    66 S   NB   _N4_    72     1.35210   116.59992   -90.10201
   78    74 S   CT   _C4_    76     1.52869   112.50117   -90.03030
   79    78 S   HC   _H4_    77     1.09548   110.88276   -57.04330
   80    78 S   HC   _H5_    78     1.09374   110.87413  -177.10890
   81    78 S   HC   _H6_    79     1.09535   110.93650    62.78065
  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   8   5   4   3
  10   2   1   1   9   5   4   1   8   4   8   5   4   9   4   3
   9   8   4   7   3   9   5   3   8   1   1   8   5   4   8   4
   3   8   7   4   9   3  10   6   2   7   5   4   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    43    45    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    45    46    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    45    46    39    40  
   41    42    43    45    39  
   40    41    43    45  
   45  
   42    43    44    45    46    47    48    49  
   43    44    45    46  
   44    45    46    47    48    49    50    58  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    55    58    59  
   48    49    50    58  
   49    50    58  
   50    51    52    53    54    55    56    58    59  
   51    52    53    54    55    58    59    57  
   52    53    54    58  
   53    54    55    56    58    57    60  
   54    55    57  
   55    56    58    59    57    60    61    62    63  
   56    58    59    57    60  
   58    59    57  
   60    61    62    63    64    65    66    58  
   59  
    0  
   61    62    63    64    65    66    67    77  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    72    77  
   65    66    67    77  
   66    67    77  
   67    68    69    70    71    72    73    77  
   68    69    70    71    72    77    74  
   69    70    71    77  
   70    71    72    73    77    74    75    76    78  
   71    72    74  
   72    73    77    74    75    76    78    79    80    81  
   73    77    74    75    76    78  
   77    74  
   75    76    78    79    80    81    77  
   76    78    79    80    81  
   78    79    80    81  
    0  
   79    80    81  
   80    81  
   81  
    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   0.800000   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   38   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.140000   2.4950   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.043000   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   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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   337.000  1.449
   33    45   222.000  1.810
   33    39   320.000  1.410
   37    38   434.000  1.010
   37    41   490.000  1.335
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   222.000  1.810
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   317.000  1.510
   49    50   469.000  1.400
   49    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   57    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   469.000  1.400
   66    77   483.000  1.339
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   317.000  1.510
   72    73   367.000  1.080
   72    77   483.000  1.339
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   39    40   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    80.00000  108.62000
   29    33    45    75.00000  118.28000
   29    33    39    85.00000  114.68000
   33    37    38    38.00000  118.40000
   33    37    41    50.00000  121.90000
   33    45    43    62.00000   98.90000
   33    39    40    55.00000  108.50000
   37    41    42    80.00000  122.90000
   37    41    43    70.00000  116.60000
   41    37    38    35.00000  119.80000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  112.33000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    70.00000  112.17500
   45    33    37    80.00000  108.62000
   45    43    44    35.00000  109.50000
   46    43    44    37.50000  110.70000
   46    43    45    75.00000  111.63000
   46    49    50    70.00000  120.00000
   46    49    58    70.00000  120.00000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    58    55    63.00000  120.00000
   49    58    59    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    57    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   58    49    50    63.00000  120.00000
   58    55    56    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    50.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    70.00000  112.17500
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    70.00000  120.00000
   63    66    77    75.00000  115.74700
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    77    72    70.00000  117.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    77    70.00000  124.00000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    78    70.00000  112.17500
   77    66    67    70.00000  124.00000
   77    72    73    35.00000  116.00000
   74    71    72    70.00000  120.00000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    81    37.50000  110.70000
   76    74    75    33.00000  107.80000
   78    74    75    37.50000  110.70000
   78    74    76    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   39    33    37    95.00000  111.01700
   39    33    45    85.00000  114.68000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    45   0.08500  1.0 1.0
   24    29    33    45  -0.53150 -1.0 2.0
   24    29    33    45   0.48050  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   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    41  -0.42300  1.0 1.0
   29    33    37    41  -0.07000 -1.0 2.0
   29    33    37    41   0.04150  1.0 3.0
   29    33    45    43   0.08500  1.0 1.0
   29    33    45    43  -0.53150 -1.0 2.0
   29    33    45    43   0.48050  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   3.04450 -1.0 2.0
   33    37   -41    43   1.49850  1.0 1.0
   33    37   -41    43   1.53950 -1.0 2.0
   37    33   -45    43   0.01700  1.0 1.0
   37    33   -45    43  -0.23550 -1.0 2.0
   37    33   -45    43   0.21350  1.0 3.0
   37    33    39    40   0.09550  1.0 1.0
   37    33    39    40   0.17350 -1.0 2.0
   37    33    39    40  -0.55000  1.0 3.0
   37    41    43    44   0.00000  1.0 1.0
   37    41   -43    45   0.00000  1.0 1.0
   37    41    43    46   1.39750  1.0 1.0
   37    41    43    46  -0.07950 -1.0 2.0
   37    41    43    46  -0.18750  1.0 3.0
   38    37    41    42   2.45000 -1.0 2.0
   38    37    41    43   2.45000 -1.0 2.0
   41    43   -45    33   0.01700  1.0 1.0
   41    43   -45    33  -0.23550 -1.0 2.0
   41    43   -45    33   0.21350  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.11250  1.0 3.0
   41    43    46    49   0.56750  1.0 1.0
   41    43    46    49  -0.07550 -1.0 2.0
   41    43    46    49   0.20000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    49    50   0.04150 -1.0 2.0
   43    46    49    58   0.04150 -1.0 2.0
   44    43    45    33   0.32350  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.43200  1.0 3.0
   45    33    37    38   0.00000  1.0 1.0
   45    33   -37    41  -0.42300  1.0 1.0
   45    33   -37    41  -0.07000 -1.0 2.0
   45    33   -37    41   0.04150  1.0 3.0
   45    33    39    40   0.35600  1.0 1.0
   45    33    39    40  -0.10750 -1.0 2.0
   45    33    39    40  -0.54400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.56750  1.0 1.0
   45    43    46    49  -0.07550 -1.0 2.0
   45    43    46    49   0.20000  1.0 3.0
   46    43    45    33   0.01700  1.0 1.0
   46    43    45    33  -0.23550 -1.0 2.0
   46    43    45    33   0.21350  1.0 3.0
   46    49    50    51   3.62500 -1.0 2.0
   46    49    50    52   3.62500 -1.0 2.0
   46    49    58    55   3.62500 -1.0 2.0
   46    49    58    59   3.62500 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    58   0.00000  1.0 1.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    58   0.00000  1.0 1.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    54   3.62500 -1.0 2.0
   50    49    58    55   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    52   -54    55   3.62500 -1.0 2.0
   50    52    54    57   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54    55    58   3.62500 -1.0 2.0
   52    54    57    60   1.63200 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   54    55   -58    49   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    57    60    61   0.08050  1.0 3.0
   54    57    60    62   0.08050  1.0 3.0
   54    57    60    63  -0.32850  1.0 1.0
   54    57    60    63  -0.35800 -1.0 2.0
   54    57    60    63   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   56    55    58    49   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   58    49    50    51   3.62500 -1.0 2.0
   58    49   -50    52   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60    63    64   0.23400  1.0 3.0
   57    60    63    65   0.23400  1.0 3.0
   57    60    63    66  -0.64350  1.0 1.0
   57    60    63    66  -0.04200 -1.0 2.0
   57    60    63    66   0.19800  1.0 3.0
   60    63    66    67   0.04150 -1.0 2.0
   60    63    66    77   0.29300  1.0 1.0
   60    63    66    77  -1.19700 -1.0 2.0
   60    63    66    77   0.60900  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.43200  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.43200  1.0 3.0
   63    66    67    68   3.62500 -1.0 2.0
   63    66    67    69   3.62500 -1.0 2.0
   63    66    77    72   3.62500 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    77   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    77   0.00000  1.0 1.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    77    72   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    77   3.62500 -1.0 2.0
   69    71    74    75   0.00000  1.0 1.0
   69    71    74    76   0.00000  1.0 1.0
   69    71    74    78   0.04150 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72   -77    66   3.62500 -1.0 2.0
   71    74    78    79   0.43200  1.0 3.0
   71    74    78    80   0.43200  1.0 3.0
   71    74    78    81   0.43200  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    78   0.04150 -1.0 2.0
   73    72    77    66   3.62500 -1.0 2.0
   77    66    67    68   3.62500 -1.0 2.0
   77    66   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    77   3.62500 -1.0 2.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    81   0.15000  1.0 3.0
   76    74    78    79   0.15000  1.0 3.0
   76    74    78    80   0.15000  1.0 3.0
   76    74    78    81   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -5.15550  1.0 1.0
   39    33    37    41  -0.87850 -1.0 2.0
   39    33    45    43   0.13850  1.0 1.0
   39    33    45    43  -1.34450 -1.0 2.0
   39    33    45    43   0.57400  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
   38    41    37    33   1.00000 -1.0 2.0
   37    43    41    42  10.50000 -1.0 2.0
   50    58    49    46   4.00000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    57    54    52   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   55    59    58    49   1.10000 -1.0 2.0
   67    77    66    63   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   77    73    72    71   1.10000 -1.0 2.0
END
