* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    153    247     451
    1     0 S   NP   _N1_     1    29.18207    93.36031   -18.26994
    2     1 S   H    _HN1     2     1.02734    83.05860   -48.17813
    3     1 S   H    _H1_     3     1.03027   112.18922    58.89106
    4     1 S   H    _H2_     4     1.02811    25.45376   141.78115
    5     1 S   CT   _CA1     5     1.50257   126.75563  -160.91934
    6     5 S   HC   _HA1     6     1.09589   105.08682    37.74801
    7     5 S   CO3  _C1_     7     1.53885   112.47308   -81.59627
    8     7 S   O2Z  _O11     8     1.26351   115.08128   -33.12696
    9     7 S   O2Z  _O12     9     1.26292   114.92942   145.39005
   10     5 S   CT   _CB1    10     1.53026   107.04938   155.20259
   11    10 S   HC   HB11    11     1.09812   108.98253   -51.88477
   12    10 S   HC   HB12    12     1.09705   110.19842    64.10908
   13    10 S   CT   _CG1    13     1.53037   113.34196  -173.58684
   14    13 S   HC   HG11    14     1.09499   110.14083   -63.96814
   15    13 S   HC   HG12    15     1.09601   110.44300    55.07233
   16    13 S   C    _CD1    16     1.51869   111.53408   174.41977
   17    16 S   O    _OE1    17     1.22839   122.58098   -31.44377
   18    16 S   N    _N2_    18     1.38601   112.48925   150.20641
   19    18 S   H    _HN2    19     1.01580   119.15389    -0.27766
   20    18 S   CT1  _CA2    20     1.46361   123.27175  -178.79147
   21    20 S   HC   _HA2    21     1.09747   109.14102   -19.15455
   22    20 S   C    _C2_    22     1.53366   108.31125  -134.81533
   23    22 S   O    _O2_    23     1.23008   122.28725  -145.83380
   24    20 S   CT   _CB2    32     1.53618   111.69329   102.91095
   25    24 S   HC   HB21    33     1.09361   109.79203    58.09595
   26    24 S   HC   HB22    34     1.09532   110.46527   176.00144
   27    22 S   N    _N3_    24     1.38524   113.29855    41.52782
   28    27 S   H    _HN3    25     1.01541   118.90751    -0.51738
   29    24 S   S    _SG2    35     1.82690   111.34452   -65.21923
   30    27 S   CT   _CA3    26     1.45435   123.36429   175.17111
   31    30 S   HC   HA31    27     1.09531   109.11054    26.56769
   32    30 S   HC   HA32    28     1.09493   107.14756   143.54995
   33    29 S   CT   _C17    36     1.83396   101.31989   147.10672
   34    33 S   HC   _H4_    37     1.09702   105.53553    45.95660
   35    30 S   CO3  _C3_    29     1.52932   113.23167   -96.82392
   36    35 S   O2Z  _O31    30     1.26394   115.46995   -43.26942
   37    35 S   O2Z  _O32    31     1.26365   114.94296   137.69044
   38    33 S   CT   _C16    38     1.53592   110.62159   -71.28199
   39    38 S   HC   _H16    39     1.09695   110.49858   172.07675
   40    38 S   HC   _H17    40     1.09408   112.43978    53.56066
   41    38 S   CO4  _C15    41     1.51181   111.22673   -68.73121
   42    41 S   O    _O34    42     1.23049   120.75771   127.71338
   43    41 S   CT   _C14    43     1.52674   116.88401   -55.91964
   44    43 S   HC   _H3_    44     1.09658   106.61999   -87.63424
   45    43 S   CT   _C7_    45     1.53704   113.67037    35.59907
   46    43 S   OS   _O33    54     1.45764   108.68459   155.94656
   47    45 S   CR3  _C8_    46     1.48549    97.63392    93.97296
   48    45 S   CT   _C6_    71     1.54863   111.93640  -150.97933
   49    48 S   HC   _H12    72     1.09813   108.91427    65.65053
   50    48 S   HC   _H13    73     1.09795   111.10600   -51.13737
   51    47 S   CA   _C9_    47     1.38156   126.10205  -158.98920
   52    51 S   CA   _C10    48     1.39346   116.74174  -178.49676
   53    52 S   HA   _H14    49     1.08711   120.24493  -179.76427
   54    51 S   CT   _C20    60     1.50656   119.02075     5.68148
   55    54 S   HC   _H18    61     1.09672   108.23387   118.24699
   56    54 S   HC   _H19    62     1.09804   109.26107  -127.30316
   57    52 S   CA   _C11    50     1.41339   120.50535    -0.99308
   58    57 S   HA   _H15    51     1.08648   117.20669  -179.74359
   59    54 S   CT   _C19    63     1.57154   114.74440    -2.76768
   60    59 S   HC   _H6_    64     1.09782   106.70794   151.09664
   61    57 S   CA   _C12    52     1.40508   121.36932    -1.39816
   62    33 S   CT   _C18    65     1.55583   116.94285   164.57503
   63    62 S   HC   _H5_    66     1.10026   101.62010  -169.90973
   64    59 S   NT   _N4_    67     1.49090   107.53590   -93.51371
   65    47 S   CA   _C13    53     1.38093   110.64842    18.68113
   66    61 S   OS   _O35    55     1.36519   126.20524  -178.05207
   67    64 S   CT   _C5_    68     1.47148   113.58032    71.00638
   68    67 S   HC   _H10    69     1.09693   108.17829   -78.15106
   69    67 S   HC   _H11    70     1.09779   110.55410   168.53478
   70    64 S   CT   _C4_    74     1.46136   113.09261  -160.30593
   71    70 S   HC   _H7_    75     1.09552   110.84359    51.48205
   72    70 S   HC   _H8_    76     1.09412   113.36900   -70.71783
   73    70 S   HC   _H9_    77     1.09601   110.03405   168.65670
   74    66 S   CT   _C21    56     1.42267   116.43626    -5.29964
   75    74 S   HC   _H20    57     1.09421   107.77377  -176.45177
   76    74 S   HC   _H21    58     1.09496   110.95910    65.87798
   77    74 S   HC   _H22    59     1.09513   111.32959   -58.68295
  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  10   5   4   3
  16   8   2   1   1  11   5   4   9   4  14   6  18   8  17  12
   6   5  13  10   4  11   5   4   5   3  11   5   6   5   1   7
   2   4   6   2   1   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    62    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    59    62    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    47    54    59    60    62    63    64    48  
   38    39    40    41    45    59    62    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    59    62    63  
   40    41    42    43    62  
   41    42    43    62  
   42    43    44    45    47    65    46    62    48  
   43    44    45    46  
   44    45    47    51    61    65    46    59    62    63    67    48    49    50  
   45    47    65    46    62    48  
   47    51    52    61    65    46    54    59    60    62    63    64    67    68    69    48    49    50  
   66    62    48    47    51    57    61    65  
   51    52    53    57    61    65    66    54    55    56    59    62    63    67    48    49    50  
   49    50    70    51    59    62    63    64    65    67    68    69  
   50    62    64    67    68    69  
   62    64    67    68    69  
   52    53    57    58    61    65    54    55    56    59    60    62    64  
   53    57    58    61    65    66    54    55    56    59  
   57    58    61    54  
   55    56    59    60    62    63    64    67    70    57    65  
   56    59    60    62    64  
   59    60    62    64  
   58    61    65    66    74  
   61    65    66  
   60    62    63    64    67    68    69    70    71    72    73  
   62    63    64    67    70  
   65    66    74    75    76    77  
   63    64    67    70    65  
   64  
   67    68    69    70    71    72    73  
   66    74  
   74    75    76    77  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    62   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    46   320.000  1.410
   45    47   317.000  1.510
   45    62   268.000  1.529
   45    48   268.000  1.529
   47    51   490.000  1.398
   47    65   490.000  1.398
   51    52   469.000  1.400
   51    54   317.000  1.510
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    65   469.000  1.400
   61    66   450.000  1.364
   65    46   450.000  1.364
   66    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   382.000  1.448
   62    63   340.000  1.090
   64    67   382.000  1.448
   64    70   382.000  1.448
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    62    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    62    45    58.35000  112.70000
   33    62    59    58.35000  112.70000
   33    62    63    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    63.00000  111.10000
   41    43    46    90.00000  108.74100
   43    41    42    80.00000  120.40000
   43    45    47    70.00000  112.17500
   43    45    62    58.35000  112.70000
   43    45    48    58.35000  112.70000
   43    46    65    75.00000  111.00000
   45    43    44    37.50000  110.70000
   45    47    51    70.00000  120.00000
   45    47    65    70.00000  120.00000
   45    62    59    58.35000  112.70000
   45    62    63    37.50000  110.70000
   45    48    67    58.35000  112.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   47    51    52    70.00000  112.88000
   47    51    54    80.00000  105.07000
   47    65    61    70.00000  112.88000
   47    65    46    70.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    57    63.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    70.00000  112.17500
   52    57    58    35.00000  120.00000
   52    57    61    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    61    65    63.00000  120.00000
   57    61    66    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    65    46    70.00000  120.00000
   61    66    74    75.00000  111.00000
   65    47    51    60.00000  130.80000
   46    43    44    35.00000  109.50000
   46    43    45    50.00000  109.50000
   66    61    65    70.00000  120.00000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   54    51    52    70.00000  120.00000
   54    59    60    37.50000  110.70000
   54    59    62    58.35000  112.70000
   54    59    64    56.20000  109.47000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    64    67    51.80000  107.20000
   59    64    70    51.80000  107.20000
   62    33    34    37.50000  110.70000
   62    33    38    58.35000  112.70000
   62    45    47    70.00000  112.17500
   62    59    60    37.50000  110.70000
   64    59    60    35.00000  109.50000
   64    59    62    56.20000  109.47000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    48    56.20000  109.47000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   67    48    49    37.50000  110.70000
   67    48    50    37.50000  110.70000
   69    67    68    33.00000  107.80000
   48    45    47    70.00000  112.17500
   48    45    62    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    67    69    37.50000  110.70000
   50    48    49    33.00000  107.80000
   70    64    67    51.80000  107.20000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    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
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    62    45   0.44750  1.0 1.0
   29    33    62    45  -0.17800 -1.0 2.0
   29    33    62    45   0.20200  1.0 3.0
   29    33    62    59   0.44750  1.0 1.0
   29    33    62    59  -0.17800 -1.0 2.0
   29    33    62    59   0.20200  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    62    45   0.15000  1.0 3.0
   34    33    62    59   0.15000  1.0 3.0
   34    33    62    63   0.15000  1.0 3.0
   38    33    62    45   0.56750  1.0 1.0
   38    33    62    45  -0.07550 -1.0 2.0
   38    33    62    45   0.20000  1.0 3.0
   38    33    62    59   0.56750  1.0 1.0
   38    33    62    59  -0.07550 -1.0 2.0
   38    33    62    59   0.20000  1.0 3.0
   38    33    62    63   0.15000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41   -43    45   0.60050  1.0 1.0
   38    41   -43    45   0.05600 -1.0 2.0
   38    41   -43    45   0.26150  1.0 3.0
   38    41    43    46   0.55300  1.0 1.0
   38    41    43    46   1.25850 -1.0 2.0
   38    41    43    46  -0.23600  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    47   0.56750  1.0 1.0
   41    43    45    47  -0.07550 -1.0 2.0
   41    43    45    47   0.20000  1.0 3.0
   41    43    45    62  -0.95700  1.0 1.0
   41    43    45    62  -0.18200 -1.0 2.0
   41    43    45    62   0.29450  1.0 3.0
   41    43    45    48  -0.95700  1.0 1.0
   41    43    45    48  -0.18200 -1.0 2.0
   41    43    45    48   0.29450  1.0 3.0
   41    43    46    65  -0.25600  1.0 1.0
   41    43    46    65  -0.40050 -1.0 2.0
   41    43    46    65   0.34700  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    45    47    51   0.04150 -1.0 2.0
   43    45   -47    65   0.04150 -1.0 2.0
   43    45   -62    33   0.56750  1.0 1.0
   43    45   -62    33  -0.07550 -1.0 2.0
   43    45   -62    33   0.20000  1.0 3.0
   43    45    62    59   0.56750  1.0 1.0
   43    45    62    59  -0.07550 -1.0 2.0
   43    45    62    59   0.20000  1.0 3.0
   43    45    62    63   0.15000  1.0 3.0
   43    45    48    67   0.56750  1.0 1.0
   43    45    48    67  -0.07550 -1.0 2.0
   43    45    48    67   0.20000  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   44    43    45    47   0.43200  1.0 3.0
   44    43    45    62   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    46    65   0.08050  1.0 3.0
   45    43   -46    65  -0.32850  1.0 1.0
   45    43   -46    65  -0.35800 -1.0 2.0
   45    43   -46    65   0.33950  1.0 3.0
   45    47    51    52   3.62500 -1.0 2.0
   45    47    51    54   3.62500 -1.0 2.0
   45    47    65    61   3.62500 -1.0 2.0
   45    47   -65    46   3.62500 -1.0 2.0
   47    45    62    33  -0.03700  1.0 1.0
   47    45    62    33   0.37200 -1.0 2.0
   47    45    62    33  -0.47300  1.0 3.0
   47    45    62    59  -0.03700  1.0 1.0
   47    45    62    59   0.37200 -1.0 2.0
   47    45    62    59  -0.47300  1.0 3.0
   47    45    62    63   0.43200  1.0 3.0
   47    45    48    67  -0.03700  1.0 1.0
   47    45    48    67   0.37200 -1.0 2.0
   47    45    48    67  -0.47300  1.0 3.0
   47    45    48    49   0.43200  1.0 3.0
   47    45    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    57   3.62500 -1.0 2.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    56   0.00000  1.0 1.0
   47    51   -54    59   0.04150 -1.0 2.0
   47    65   -46    43   1.63200 -1.0 2.0
   51    47    65    61   3.62500 -1.0 2.0
   51    47    65    46   3.62500 -1.0 2.0
   51    52    57    58   3.62500 -1.0 2.0
   51    52   -57    61   3.62500 -1.0 2.0
   51    54    59    60   0.43200  1.0 3.0
   51    54    59    62  -0.03700  1.0 1.0
   51    54    59    62   0.37200 -1.0 2.0
   51    54    59    62  -0.47300  1.0 3.0
   51    54    59    64   0.83750  1.0 1.0
   51    54    59    64   0.32200 -1.0 2.0
   51    54    59    64   0.70600  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    59   0.04150 -1.0 2.0
   52    57    61    65   3.62500 -1.0 2.0
   52    57    61    66   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    61   3.62500 -1.0 2.0
   57    61   -65    47   3.62500 -1.0 2.0
   57    61    65    46   3.62500 -1.0 2.0
   57    61    66    74   1.63200 -1.0 2.0
   58    57    61    65   3.62500 -1.0 2.0
   58    57    61    66   3.62500 -1.0 2.0
   61    65    46    43   1.63200 -1.0 2.0
   61    66    74    75   0.08050  1.0 3.0
   61    66    74    76   0.08050  1.0 3.0
   61    66    74    77   0.08050  1.0 3.0
   65    47   -51    52   3.62500 -1.0 2.0
   65    47    51    54   3.62500 -1.0 2.0
   65    61    66    74   1.63200 -1.0 2.0
   46    43   -45    47  -0.64350  1.0 1.0
   46    43   -45    47  -0.04200 -1.0 2.0
   46    43   -45    47   0.19800  1.0 3.0
   46    43    45    62   0.62750  1.0 1.0
   46    43    45    62  -0.30950 -1.0 2.0
   46    43    45    62   0.27300  1.0 3.0
   46    43    45    48   0.62750  1.0 1.0
   46    43    45    48  -0.30950 -1.0 2.0
   46    43    45    48   0.27300  1.0 3.0
   66    61    65    47   3.62500 -1.0 2.0
   66    61    65    46   3.62500 -1.0 2.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    57   3.62500 -1.0 2.0
   54    59    62    33   0.56750  1.0 1.0
   54    59    62    33  -0.07550 -1.0 2.0
   54    59    62    33   0.20000  1.0 3.0
   54    59   -62    45   0.56750  1.0 1.0
   54    59   -62    45  -0.07550 -1.0 2.0
   54    59   -62    45   0.20000  1.0 3.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    64    67   0.23450  1.0 1.0
   54    59    64    67   0.02050 -1.0 2.0
   54    59    64    67   0.25250  1.0 3.0
   54    59    64    70   0.58650  1.0 1.0
   54    59    64    70   0.12600 -1.0 2.0
   54    59    64    70   0.33350  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   55    54    59    64   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   56    54    59    64   0.15000  1.0 3.0
   59    64    67    68   0.28000  1.0 3.0
   59    64    67    69   0.28000  1.0 3.0
   59    64    67    48   0.23450  1.0 1.0
   59    64    67    48   0.02050 -1.0 2.0
   59    64    67    48   0.25250  1.0 3.0
   59    64    70    71   0.28000  1.0 3.0
   59    64    70    72   0.28000  1.0 3.0
   59    64    70    73   0.28000  1.0 3.0
   60    59    62    33   0.15000  1.0 3.0
   60    59    62    45   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    64    67   0.28000  1.0 3.0
   60    59    64    70   0.28000  1.0 3.0
   62    33    38    39   0.15000  1.0 3.0
   62    33    38    40   0.15000  1.0 3.0
   62    33   -38    41  -0.95700  1.0 1.0
   62    33   -38    41  -0.18200 -1.0 2.0
   62    33   -38    41   0.29450  1.0 3.0
   62    45   -47    51   0.04150 -1.0 2.0
   62    45    47    65   0.04150 -1.0 2.0
   62    45    48    67   0.56750  1.0 1.0
   62    45    48    67  -0.07550 -1.0 2.0
   62    45    48    67   0.20000  1.0 3.0
   62    45    48    49   0.15000  1.0 3.0
   62    45    48    50   0.15000  1.0 3.0
   62    59   -64    67   0.23450  1.0 1.0
   62    59   -64    67   0.02050 -1.0 2.0
   62    59   -64    67   0.25250  1.0 3.0
   62    59    64    70   0.58650  1.0 1.0
   62    59    64    70   0.12600 -1.0 2.0
   62    59    64    70   0.33350  1.0 3.0
   64    59    62    33   1.53400  1.0 1.0
   64    59    62    33  -0.09950 -1.0 2.0
   64    59    62    33   0.05700  1.0 3.0
   64    59    62    45   1.53400  1.0 1.0
   64    59    62    45  -0.09950 -1.0 2.0
   64    59    62    45   0.05700  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    67   -48    45   1.53400  1.0 1.0
   64    67   -48    45  -0.09950 -1.0 2.0
   64    67   -48    45   0.05700  1.0 3.0
   64    67    48    49   0.15000  1.0 3.0
   64    67    48    50   0.15000  1.0 3.0
   67    64    70    71   0.28000  1.0 3.0
   67    64    70    72   0.28000  1.0 3.0
   67    64    70    73   0.28000  1.0 3.0
   68    67    48    45   0.15000  1.0 3.0
   68    67    48    49   0.15000  1.0 3.0
   68    67    48    50   0.15000  1.0 3.0
   69    67    48    45   0.15000  1.0 3.0
   69    67    48    49   0.15000  1.0 3.0
   69    67    48    50   0.15000  1.0 3.0
   48    45    47    51   0.04150 -1.0 2.0
   48    45    47    65   0.04150 -1.0 2.0
   48    45    62    33   0.56750  1.0 1.0
   48    45    62    33  -0.07550 -1.0 2.0
   48    45    62    33   0.20000  1.0 3.0
   48    45   -62    59   0.56750  1.0 1.0
   48    45   -62    59  -0.07550 -1.0 2.0
   48    45   -62    59   0.20000  1.0 3.0
   48    45    62    63   0.15000  1.0 3.0
   70    64    67    68   0.28000  1.0 3.0
   70    64    67    69   0.28000  1.0 3.0
   70    64    67    48   0.58650  1.0 1.0
   70    64    67    48   0.12600 -1.0 2.0
   70    64    67    48   0.33350  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   51    65    47    45   4.00000 -1.0 2.0
   52    54    51    47   4.00000 -1.0 2.0
   57    53    52    51   1.10000 -1.0 2.0
   61    58    57    52   1.10000 -1.0 2.0
   65    66    61    57   4.00000 -1.0 2.0
   61    46    65    47   4.00000 -1.0 2.0
END
