* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    245     437
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02066    40.17534  -147.46667
    3     1 S   H    _H1_     3     1.02120   102.24895   -42.91672
    4     1 S   H    _H2_     4     1.02098    73.86622    63.25549
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C10    36     1.85333    97.52590  -158.16443
   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   CT1  _C9_    37     1.54551   111.73944   179.97202
   38    37 S   HC   _H6_    38     1.14505   109.81610   159.57974
   39    33 S   S    _S1_    63     1.83226   107.33883   -58.52785
   40    37 S   N4   _N4_    39     1.45585   102.29690   -86.90570
   41    37 S   CO3  _C16    60     1.51544   118.56316    37.49855
   42    41 S   O2Z  _O35    61     1.26225   115.25293   -56.02499
   43    41 S   O2Z  _O34    62     1.26234   114.82131   123.97571
   44    39 S   CT   _C11    64     1.81037    97.21560   -62.14262
   45    44 S   HC   _H7_    65     1.13534   105.93271   -39.59986
   46    40 S   C4   _C8_    40     1.36187   126.36036  -130.65511
   47    46 S   O    _O33    41     1.21029   132.63421   -40.74668
   48    40 S   C4T  _C6_    44     1.48086   115.52565   -11.26282
   49    48 S   HC   _H4_    45     1.10070   111.08940   106.41614
   50    44 S   CT   _C12    66     1.55743   112.48617    79.99843
   51    50 S   HC   _H12    67     1.09303   111.13537  -100.52824
   52    50 S   HC   _H13    68     1.09040   115.78008    27.53465
   53    44 S   CT   _C15    76     1.56203   112.47168  -159.15895
   54    53 S   HC   _H16    77     1.09104   114.86362   -25.87950
   55    53 S   HC   _H17    78     1.09412   110.53226    99.39282
   56    46 S   C4T  _C7_    42     1.53948    91.28438   133.76965
   57    56 S   HC   _H5_    43     1.09687   110.90649  -117.82227
   58    33 S   CT   _C5_    46     1.57675   108.44428    66.49579
   59    58 S   HC   _H3_    47     1.03837   109.99925   -34.16585
   60    50 S   N5P  _N5_    69     1.44436   101.20551   146.50064
   61    58 S   CT   _C4_    48     1.53151   115.59219  -157.88144
   62    61 S   HC   _H9_    49     1.09093   110.16559   -55.67877
   63    61 S   HC   _H10    50     1.09057   110.14096  -175.72085
   64    61 S   HC   _H11    51     1.09141   110.08031    64.36759
   65    56 S   CT   _C17    52     1.50473   115.02231   117.19299
   66    65 S   HC   _H8_    53     1.10012   110.11694   -39.98768
   67    60 S   C5X  _C13    70     1.35441   138.73334   164.02141
   68    67 S   HA   _H14    71     1.08017   124.69531     1.42615
   69    65 S   CT   _C18    54     1.52665   112.39879    81.54289
   70    69 S   HC   _H18    55     1.09390   111.04336    57.78141
   71    69 S   HC   _H19    56     1.09484   110.90697   -63.12548
   72    69 S   HC   _H20    57     1.09614   110.86288   178.59236
   73    65 S   OH   _O36    58     1.42818   109.78807  -157.34965
   74    73 S   HO   _H21    59     0.96887   106.39931  -179.96574
   75    67 S   N5B  _N6_    72     1.34942   109.07889  -178.83332
   76    75 S   C5X  _C14    73     1.41799   106.24614     0.31090
   77    76 S   HA   _H15    74     1.07724   123.49514  -179.58693
   78    60 S   N5P  _N7_    75     1.39964   111.57302   -14.49910
  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
  21   2   1   1  15   8  16  13   5   1   1  12   8  10   4  13
   6  11   5   4   8   4   3  12   5   6   4   6   3   2   1   1
   7   6   5   3   5   3   2   1   1   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    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    58    59    61    41    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    46    56    48    49    58    59    61    62    63    64    41    42    43    39    44    45    50    53  
   35    36  
   36  
    0  
   38    40    46    47    56    48    49    58    59    61    41    42    43    39    44  
   40    46    48    58    41    42    43    39  
   44    45    50    51    52    60    78    53    54    55    40    41    48    58    59    61  
   46    47    56    57    48    49    58    59    61    65    41    42    43  
   42    43    46    48    58  
   43  
    0  
   45    50    51    52    60    67    76    78    53    54    55    58  
   50    51    52    60    78    53    54    55  
   47    56    57    48    49    58    65    66    69    73  
   56    57    48    65  
   49    58    59    61    62    63    64    65    66    69    73    56    57  
   58    59    61    65    56    57  
   51    52    60    67    68    75    76    78    53    54    55  
   52    60    67    78    53  
   60    67    78    53  
   54    55    60    67    75    76    77    78  
   55    60    76    78  
   60    76    78  
   57    58    59    61    65    66    69    70    71    72    73    74  
   58    65    66    69    73  
   59    61    62    63    64    65  
   61    62    63    64  
   67    68    75    76    77    78  
   62    63    64  
   63    64  
   64  
    0  
   66    69    70    71    72    73    74  
   69    70    71    72    73    74  
   68    75    76    77    78  
   75    76    78  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    0  
   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   0.335000   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   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700   0.000900   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.470000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.164900   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2800   0.1700  -0.516500   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5500   0.0700   0.470200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.165000   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700   0.000500   1.9750   1.7500   0.001000000  -0.511443539
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   268.000  1.529
   33    58   268.000  1.529
   33    39   222.000  1.810
   37    38   340.000  1.090
   37    40   337.000  1.449
   37    41   317.000  1.522
   40    46   440.000  1.369
   40    48   305.000  1.456
   46    47   930.000  1.212
   46    56   250.000  1.540
   56    57   340.000  1.090
   56    48   268.000  1.529
   56    65   260.000  1.519
   48    49   340.000  1.090
   48    58   260.000  1.519
   58    59   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
   39    44   222.000  1.810
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   300.000  1.456
   60    67   455.000  1.369
   60    78   275.000  1.382
   67    68   367.000  1.080
   67    75   580.000  1.314
   75    76   580.000  1.314
   76    77   367.000  1.080
   76    78   455.000  1.369
   78    53   300.000  1.456
   53    54   340.000  1.090
   53    55   340.000  1.090
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  108.68000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    40    80.00000  109.70000
   33    37    41    63.00000  111.10000
   33    58    48    70.00000  112.98000
   33    58    59    37.50000  110.70000
   33    58    61    58.35000  112.70000
   33    39    44    62.00000   98.90000
   37    40    46    50.00000  132.10000
   37    40    48    50.00000  132.70000
   37    41    42    70.00000  117.00000
   37    41    43    70.00000  117.00000
   40    37    38    35.00000  109.50000
   40    46    47    75.00000  131.60000
   40    46    56    95.00000   92.72400
   40    48    56   105.00000   87.49700
   40    48    49    50.00000  112.01000
   40    48    58    80.00000  110.05700
   46    56    57    40.00000  113.37500
   46    56    48   100.00000   86.36000
   46    56    65    63.00000  111.10000
   56    46    47    60.00000  136.58000
   56    48    49    37.50000  110.70000
   56    48    58    65.00000  119.52000
   56    65    66    45.00000  111.22300
   56    65    69    70.00000  112.98000
   56    65    73    50.00000  109.50000
   48    40    46   100.00000   93.00000
   48    56    57    37.50000  110.70000
   48    58    59    45.00000  111.22300
   48    58    61    70.00000  112.98000
   58    33    37    58.35000  112.70000
   58    48    49    45.00000  112.72800
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   61    58    59    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    56    57    45.00000  112.72800
   65    56    48    65.00000  119.52000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   65    73    74    55.00000  108.50000
   69    65    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    65    66    35.00000  109.50000
   73    65    69    50.00000  109.50000
   41    37    38    35.00000  109.50000
   41    37    40    63.00000  110.10000
   43    41    42    80.00000  126.00000
   39    33    37    75.00000  108.68000
   39    33    58    75.00000  111.63000
   39    44    45    35.00000  109.50000
   39    44    50    75.00000  111.63000
   39    44    53    75.00000  111.63000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    60    75.00000  111.19500
   44    53    78    75.00000  111.19500
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   50    44    45    37.50000  110.70000
   50    60    67    60.00000  126.76000
   50    60    78    75.00000  116.00000
   52    50    51    33.00000  107.80000
   60    50    51    50.00000  107.70000
   60    50    52    50.00000  107.70000
   60    67    68    40.00000  122.05800
   60    67    75    95.00000  110.94000
   60    78    76    80.00000  120.70000
   60    78    53    75.00000  116.00000
   67    75    76    90.00000  108.12000
   75    67    68    40.00000  126.34000
   75    76    77    40.00000  126.34000
   75    76    78    95.00000  110.94000
   76    78    53    60.00000  126.76000
   78    60    67    80.00000  120.70000
   78    76    77    40.00000  122.05800
   78    53    54    50.00000  107.70000
   78    53    55    50.00000  107.70000
   53    44    45    37.50000  110.70000
   53    44    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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   0.15000  1.0 3.0
   29    33    37    40   0.71400  1.0 1.0
   29    33    37    40   0.04300 -1.0 2.0
   29    33    37    40   0.01450  1.0 3.0
   29    33    37    41  -2.17200  1.0 1.0
   29    33    37    41  -0.85700 -1.0 2.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    61   0.44750  1.0 1.0
   29    33    58    61  -0.17800 -1.0 2.0
   29    33    58    61   0.20200  1.0 3.0
   29    33    39    44   0.08500  1.0 1.0
   29    33    39    44  -0.53150 -1.0 2.0
   29    33    39    44   0.48050  1.0 3.0
   33    37    40    46   0.00000  1.0 1.0
   33    37   -40    48   0.00000  1.0 1.0
   33    37    41    42   0.00000  1.0 1.0
   33    37    41    43   0.00000  1.0 1.0
   33    58    61    62   0.15000  1.0 3.0
   33    58    61    63   0.15000  1.0 3.0
   33    58    61    64   0.15000  1.0 3.0
   33    39    44    45   0.32350  1.0 3.0
   33    39    44    50   0.01700  1.0 1.0
   33    39    44    50  -0.23550 -1.0 2.0
   33    39    44    50   0.21350  1.0 3.0
   33    39    44    53   0.01700  1.0 1.0
   33    39    44    53  -0.23550 -1.0 2.0
   33    39    44    53   0.21350  1.0 3.0
   37    33   -58    48   0.31550 -1.0 2.0
   37    33   -58    48   0.11250  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    61   0.56750  1.0 1.0
   37    33    58    61  -0.07550 -1.0 2.0
   37    33    58    61   0.20000  1.0 3.0
   37    33    39    44   0.01700  1.0 1.0
   37    33    39    44  -0.23550 -1.0 2.0
   37    33    39    44   0.21350  1.0 3.0
   37    40    46    47   3.00000 -1.0 2.0
   37    40    46    56   3.00000 -1.0 2.0
   37    40   -48    56   0.00000  1.0 1.0
   37    40    48    49   0.00000  1.0 1.0
   37    40   -48    58   0.00000  1.0 1.0
   38    37    40    46   0.00000  1.0 1.0
   38    37    40    48   0.00000  1.0 1.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    46    56    57   0.00000  1.0 1.0
   40    46   -56    48   3.00000 -1.0 2.0
   40    46    56    65   1.39750  1.0 1.0
   40    46    56    65  -0.07950 -1.0 2.0
   40    46    56    65  -0.18750  1.0 3.0
   40    48   -58    33   0.43900  1.0 1.0
   40    48   -58    33   0.49100 -1.0 2.0
   40    48   -58    33   0.28400  1.0 3.0
   40    48    58    59   0.15000  1.0 3.0
   40    48    58    61   0.43900  1.0 1.0
   40    48    58    61   0.49100 -1.0 2.0
   40    48    58    61   0.28400  1.0 3.0
   46    40   -48    56   0.00000  1.0 1.0
   46    40    48    49   0.00000  1.0 1.0
   46    40    48    58   0.00000  1.0 1.0
   46    56   -48    40   3.00000 -1.0 2.0
   46    56   -48    49   0.15000  1.0 3.0
   46    56   -48    58  -0.95700  1.0 1.0
   46    56   -48    58  -0.18200 -1.0 2.0
   46    56   -48    58   0.29450  1.0 3.0
   46    56    65    66  -0.11250  1.0 3.0
   46    56    65    69  -0.95700  1.0 1.0
   46    56    65    69  -0.18200 -1.0 2.0
   46    56    65    69   0.29450  1.0 3.0
   46    56    65    73  -0.09450  1.0 1.0
   46    56    65    73  -1.12950 -1.0 2.0
   46    56    65    73   0.54000  1.0 3.0
   47    46    56    57   0.00000  1.0 1.0
   47    46    56    48  -0.11250  1.0 1.0
   47    46    56    48   0.11400 -1.0 2.0
   47    46    56    48  -0.28950  1.0 3.0
   47    46    56    65   0.30150 -1.0 2.0
   56    48    58    33   0.04050  1.0 1.0
   56    48    58    33   0.63700 -1.0 2.0
   56    48    58    33   0.17650  1.0 3.0
   56    48    58    59   0.00000  1.0 1.0
   56    48    58    61   0.04050  1.0 1.0
   56    48    58    61   0.63700 -1.0 2.0
   56    48    58    61   0.17650  1.0 3.0
   56    65    69    70   0.15000  1.0 3.0
   56    65    69    71   0.15000  1.0 3.0
   56    65    69    72   0.15000  1.0 3.0
   56    65    73    74  -0.11600  1.0 1.0
   56    65    73    74  -0.09450 -1.0 2.0
   56    65    73    74   0.21250  1.0 3.0
   57    56   -48    40   0.15000  1.0 3.0
   57    56    48    49   0.15000  1.0 3.0
   57    56    48    58   0.15000  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    69   0.15000  1.0 3.0
   57    56    65    73   0.23400  1.0 3.0
   48    40   -46    47   3.00000 -1.0 2.0
   48    40   -46    56   3.00000 -1.0 2.0
   48    56    65    66   0.00000  1.0 1.0
   48    56    65    69   0.04050  1.0 1.0
   48    56    65    69   0.63700 -1.0 2.0
   48    56    65    69   0.17650  1.0 3.0
   48    56    65    73   0.86500  1.0 1.0
   48    56    65    73  -0.17500 -1.0 2.0
   48    56    65    73   0.20800  1.0 3.0
   48    58    61    62   0.15000  1.0 3.0
   48    58    61    63   0.15000  1.0 3.0
   48    58    61    64   0.15000  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    61   0.15000  1.0 3.0
   58    33    37    38   0.15000  1.0 3.0
   58    33   -37    40   0.42250  1.0 1.0
   58    33   -37    40  -0.48100 -1.0 2.0
   58    33   -37    40   0.35650  1.0 3.0
   58    33    37    41  -0.84850  1.0 1.0
   58    33    37    41  -0.22800 -1.0 2.0
   58    33    37    41   0.29250  1.0 3.0
   58    33    39    44   0.01700  1.0 1.0
   58    33    39    44  -0.23550 -1.0 2.0
   58    33    39    44   0.21350  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
   65    56   -48    40   0.43900  1.0 1.0
   65    56   -48    40   0.49100 -1.0 2.0
   65    56   -48    40   0.28400  1.0 3.0
   65    56    48    49   0.15000  1.0 3.0
   65    56    48    58   0.56750  1.0 1.0
   65    56    48    58  -0.07550 -1.0 2.0
   65    56    48    58   0.20000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   69    65    73    74  -0.11600  1.0 1.0
   69    65    73    74  -0.09450 -1.0 2.0
   69    65    73    74   0.21250  1.0 3.0
   73    65    69    70   0.23400  1.0 3.0
   73    65    69    71   0.23400  1.0 3.0
   73    65    69    72   0.23400  1.0 3.0
   41    37    40    46   0.00000  1.0 1.0
   41    37    40    48   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.71400  1.0 1.0
   39    33    37    40   0.04300 -1.0 2.0
   39    33    37    40   0.01450  1.0 3.0
   39    33    37    41  -2.17200  1.0 1.0
   39    33    37    41  -0.85700 -1.0 2.0
   39    33    58    48   0.44750  1.0 1.0
   39    33    58    48  -0.17800 -1.0 2.0
   39    33    58    48   0.20200  1.0 3.0
   39    33    58    59   0.15000  1.0 3.0
   39    33    58    61   0.44750  1.0 1.0
   39    33    58    61  -0.17800 -1.0 2.0
   39    33    58    61   0.20200  1.0 3.0
   39    44    50    51   0.15000  1.0 3.0
   39    44    50    52   0.15000  1.0 3.0
   39    44    50    60   0.56750  1.0 1.0
   39    44    50    60  -0.07550 -1.0 2.0
   39    44    50    60   0.20000  1.0 3.0
   39    44    53    78   0.56750  1.0 1.0
   39    44    53    78  -0.07550 -1.0 2.0
   39    44    53    78   0.20000  1.0 3.0
   39    44    53    54   0.15000  1.0 3.0
   39    44    53    55   0.15000  1.0 3.0
   44    50    60    67   1.10250  1.0 1.0
   44    50    60    67   0.01650 -1.0 2.0
   44    50    60    67   0.39100  1.0 3.0
   44    50   -60    78   0.68100  1.0 1.0
   44    50   -60    78   0.03350 -1.0 2.0
   44    50   -60    78   0.36200  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    60   0.15000  1.0 3.0
   45    44    53    78   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   50    44   -53    78  -0.64600  1.0 1.0
   50    44   -53    78   0.58400 -1.0 2.0
   50    44    53    54   0.15000  1.0 3.0
   50    44    53    55   0.15000  1.0 3.0
   50    60    67    68   3.62500 -1.0 2.0
   50    60    67    75   3.62500 -1.0 2.0
   50    60    78    76   3.62500 -1.0 2.0
   50    60   -78    53   3.62500 -1.0 2.0
   51    50    60    67   0.00000  1.0 1.0
   51    50    60    78   0.00000  1.0 1.0
   52    50    60    67   0.00000  1.0 1.0
   52    50    60    78   0.00000  1.0 1.0
   60    67   -75    76   3.62500 -1.0 2.0
   60    78   -53    44   0.68100  1.0 1.0
   60    78   -53    44   0.03350 -1.0 2.0
   60    78   -53    44   0.36200  1.0 3.0
   60    78    53    54   0.00000  1.0 1.0
   60    78    53    55   0.00000  1.0 1.0
   67    60   -78    76   3.62500 -1.0 2.0
   67    60    78    53   3.62500 -1.0 2.0
   67    75    76    77   3.62500 -1.0 2.0
   67    75   -76    78   3.62500 -1.0 2.0
   68    67    75    76   3.62500 -1.0 2.0
   75    76   -78    60   3.62500 -1.0 2.0
   75    76    78    53   3.62500 -1.0 2.0
   76    78    53    44   1.10250  1.0 1.0
   76    78    53    44   0.01650 -1.0 2.0
   76    78    53    44   0.39100  1.0 3.0
   76    78    53    54   0.00000  1.0 1.0
   76    78    53    55   0.00000  1.0 1.0
   77    76    78    60   3.62500 -1.0 2.0
   77    76    78    53   3.62500 -1.0 2.0
   78    60    67    68   3.62500 -1.0 2.0
   78    60   -67    75   3.62500 -1.0 2.0
   53    44    50    51   0.15000  1.0 3.0
   53    44    50    52   0.15000  1.0 3.0
   53    44   -50    60  -0.64600  1.0 1.0
   53    44   -50    60   0.58400 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    46    40    37   1.00000 -1.0 2.0
   40    56    46    47  10.50000 -1.0 2.0
   42    37    41    43  10.50000 -1.0 2.0
   67    78    60    50   4.00000 -1.0 2.0
   75    68    67    60   1.10000 -1.0 2.0
   78    77    76    75   1.10000 -1.0 2.0
   76    53    78    60   4.00000 -1.0 2.0
END
