* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    152    242     444
    1     0 S   NP   _N1_     1    28.01407    96.99227   -23.77071
    2     1 S   H    _HN1     2     1.02835    33.32286   155.45254
    3     1 S   H    _H1_     3     1.02776   107.94174  -109.06985
    4     1 S   H    _H2_     4     1.02957    75.75383    -4.05483
    5     1 S   CT   _CA1     5     1.50135   134.11021   100.67713
    6     5 S   HC   _HA1     6     1.09575   105.20839    87.84379
    7     5 S   CO3  _C1_     7     1.53786   112.37240   -32.33610
    8     7 S   O2Z  _O11     8     1.26367   114.99250   -43.42963
    9     7 S   O2Z  _O12     9     1.26236   114.93382   135.64998
   10     5 S   CT   _CB1    10     1.53096   107.41896  -154.24194
   11    10 S   HC   HB11    11     1.09827   109.32672   -50.39996
   12    10 S   HC   HB12    12     1.09815   110.42778    66.15794
   13    10 S   CT   _CG1    13     1.53017   112.67602  -171.46645
   14    13 S   HC   HG11    14     1.09594   110.49563   -64.63409
   15    13 S   HC   HG12    15     1.09658   109.91164    54.56663
   16    13 S   C    _CD1    16     1.51843   112.31899   174.93639
   17    16 S   O    _OE1    17     1.22752   123.29347     0.77556
   18    16 S   N    _N2_    18     1.38558   111.70660  -179.19594
   19    18 S   H    _HN2    19     1.01553   119.05597     4.17814
   20    18 S   CT1  _CA2    20     1.45846   122.87646   178.09371
   21    20 S   HC   _HA2    21     1.09723   108.90121    25.19600
   22    20 S   C    _C2_    22     1.52917   106.92743   -91.96674
   23    22 S   O    _O2_    23     1.22992   123.00165   -28.02486
   24    20 S   CT   _CB2    32     1.53185   112.21791   148.41051
   25    24 S   HC   HB21    33     1.09491   110.04474    55.19473
   26    24 S   HC   HB22    34     1.09529   110.15116   174.01440
   27    22 S   N    _N3_    24     1.38492   112.63010   154.76975
   28    27 S   H    _HN3    25     1.01662   120.37497    -2.22044
   29    24 S   S    _SG2    35     1.82523   111.16355   -66.00169
   30    27 S   CT   _CA3    26     1.45356   122.40781   178.59514
   31    30 S   HC   HA31    27     1.09571   107.72679   -56.97553
   32    30 S   HC   HA32    28     1.09564   107.66926    59.32295
   33    29 S   CT   _C19    36     1.86465    99.51922  -179.95577
   34    33 S   HC   _H5_    37     1.09956   106.59811    35.96120
   35    30 S   CO3  _C3_    29     1.52872   114.40280  -178.91070
   36    35 S   O2Z  _O31    30     1.26321   116.09123    -2.18561
   37    35 S   O2Z  _O32    31     1.26443   114.39654   177.82201
   38    33 S   CT   _C20    38     1.57471   111.06546   155.22249
   39    38 S   OM   _O36    39     1.33100   106.55912   -69.41958
   40    38 S   HC   _H6_    40     1.10211   105.10896    58.05950
   41    38 S   CT   _C12    41     1.59261   112.95183   171.44852
   42    41 S   CA   _C7_    42     1.56250   114.69103  -162.07256
   43    41 S   CT   _C13    56     1.55285   115.03084    72.71248
   44    43 S   HC   _H13    57     1.09646   112.58920    90.27570
   45    43 S   HC   _H14    58     1.09644   111.68247   -31.02396
   46    41 S   CT   _C16    59     1.55189   111.89860   -41.23848
   47    46 S   HC   _H3_    60     1.10020   111.30693   -76.77941
   48    42 S   CA   _C8_    43     1.40113   123.03203   -23.19273
   49    48 S   HA   _H10    44     1.08245   122.68292     1.47645
   50    46 S   CT   _C17    61     1.53340   115.36762    45.16533
   51    50 S   HC   _H19    62     1.09647   112.10968    66.45772
   52    50 S   HC   _H20    63     1.09777   108.51290  -176.01975
   53    48 S   CA   _C9_    45     1.38140   118.74810  -178.51734
   54    33 S   CT   _C18    64     1.53903   108.64681   -80.27112
   55    54 S   HC   _H4_    65     1.09551   110.73816    57.99803
   56    53 S   CA   _C10    46     1.37770   122.76645    -0.06561
   57    54 S   OH   _O37    66     1.42722   111.08847   -61.39843
   58    57 S   HO   _H21    67     0.97211   107.60610   179.22646
   59    56 S   CA   _C5_    47     1.38307   121.12742    -0.13706
   60    56 S   OS   _O34    73     1.36275   111.08119  -179.89165
   61    42 S   CA   _C6_    48     1.43169   118.47843   158.31466
   62    59 S   OS   _O33    68     1.36714   127.05359  -179.23947
   63    60 S   CO   _C11    74     1.43793   101.99068    -0.12033
   64    63 S   HC   _H11    75     1.09603   108.72167  -120.81046
   65    63 S   HC   _H12    76     1.09602   108.71694   121.06796
   66    61 S   CT   _C15    49     1.52171   119.19981    -3.72031
   67    66 S   HC   _H17    50     1.09733   110.11993   131.97016
   68    66 S   HC   _H18    51     1.09805   107.81633  -112.22668
   69    62 S   CT   _C4_    69     1.41990   118.47703    -0.58484
   70    69 S   HC   _H7_    70     1.09451   107.62305  -179.72589
   71    69 S   HC   _H8_    71     1.09454   111.20858    62.93498
   72    69 S   HC   _H9_    72     1.09456   111.22507   -62.37562
   73    53 S   OS   _O35    77     1.36353   124.36310   180.00000
   74    66 S   NT   _N4_    52     1.47652   115.12389     8.01121
   75    74 S   CT   _C14    53     1.47745   110.40079    69.73899
   76    75 S   HC   _H15    54     1.09648   109.14978   147.71200
   77    75 S   HC   _H16    55     1.09640   113.17134    29.82696
  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
  15   8   2   1   1  17   6   5  20  19  12   6   5  16   7   9
   4   9   5   4   9   4   2  10   1   1  13   6   7   5   3   2
   1   6   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    54    55    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    50    51    52    54    55    57    58  
   38    39    40    41    50    54    55    57  
   36    37  
   37  
    0  
   39    40    41    42    48    61    74    75    43    44    45    46    47    50    54    55    57  
   40    41    42    43    46    54  
   41    42    43    46    54  
   42    48    49    53    59    61    66    74    75    76    77    43    44    45    46    47    50    51    52    54  
   48    49    53    56    59    61    66    67    68    74    75    43    44    45    46    47    50    62    73  
   44    45    46    47    50    48    61    66    74    75    76    77  
   45    46    74    75    76    77  
   46    74    75    76    77  
   47    50    51    52    54    55    57    48    61    66    67    68    74    75    76    77  
   50    51    52    54    66    74    75  
   49    53    56    59    61    66    60    63    73  
   53    56    61    73  
   51    52    54    55    57    58    66    74    75  
   52    54    55    57    74  
   54    55    57    74  
   56    59    61    62    60    63    64    65    73  
   55    57    58    74  
   57    58  
   59    61    66    62    69    60    63    64    65    73  
   58  
    0  
   61    66    67    68    74    62    69    70    71    72    60    63    73  
   63    64    65    73    61    62  
   66    67    68    74    75    62    69  
   69    70    71    72    66  
   64    65    73  
   65    73  
   73  
   67    68    74    75    76    77  
   68    74    75  
   74    75  
   70    71    72  
   71    72  
   72  
    0  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   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    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    54   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    46   268.000  1.529
   42    48   469.000  1.400
   42    61   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    56   469.000  1.400
   53    73   450.000  1.364
   56    59   469.000  1.400
   56    60   450.000  1.364
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   382.000  1.448
   74    75   382.000  1.448
   74    46   382.000  1.448
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    57   320.000  1.410
   57    58   553.000  0.945
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   60    63   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   320.000  1.380
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    54    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    54    50    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.17500
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    48    70.00000  120.00000
   41    42    61    70.00000  120.00000
   41    43    75    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    46    74    56.20000  109.47000
   41    46    47    37.50000  110.70000
   41    46    50    58.35000  112.70000
   42    48    49    35.00000  120.00000
   42    48    53    63.00000  120.00000
   42    61    59    63.00000  120.00000
   42    61    66    70.00000  120.00000
   48    53    56    63.00000  120.00000
   48    53    73    70.00000  120.00000
   53    48    49    35.00000  120.00000
   53    56    59    63.00000  120.00000
   53    56    60    70.00000  120.00000
   53    73    63   100.00000  112.36700
   56    59    61    63.00000  120.00000
   56    59    62    70.00000  120.00000
   56    60    63   100.00000  112.36700
   59    61    66    70.00000  120.00000
   59    62    69    75.00000  111.00000
   61    42    48    63.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    74    75.00000  112.33000
   66    74    75    51.80000  107.20000
   66    74    46    51.80000  107.20000
   68    66    67    33.00000  107.80000
   74    66    67    35.00000  109.50000
   74    66    68    35.00000  109.50000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    43    56.20000  109.47000
   74    46    47    35.00000  109.50000
   74    46    50    56.20000  109.47000
   75    43    44    37.50000  110.70000
   75    43    45    37.50000  110.70000
   77    75    76    33.00000  107.80000
   43    41    42    70.00000  112.17500
   43    75    76    37.50000  110.70000
   43    75    77    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    41    42    70.00000  112.17500
   46    41    43    58.35000  112.70000
   46    74    75    51.80000  107.20000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    57    50.00000  109.50000
   52    50    51    33.00000  107.80000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    57    58    55.00000  108.50000
   57    54    55    35.00000  109.50000
   62    59    61    70.00000  120.00000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    56    59    70.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    73    92.60000  111.55000
   65    63    64    33.00000  109.50000
   73    53    56    70.00000  120.00000
   73    63    64    35.00000  109.50000
   73    63    65    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   33    38    41    42  -0.03700  1.0 1.0
   33    38    41    42   0.37200 -1.0 2.0
   33    38    41    42  -0.47300  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    54    57    58  -0.11600  1.0 1.0
   33    54    57    58  -0.09450 -1.0 2.0
   33    54    57    58   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    57   0.23400  1.0 3.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    57   0.86500  1.0 1.0
   38    33    54    57  -0.17500 -1.0 2.0
   38    33    54    57   0.20800  1.0 3.0
   38    41    42    48   0.04150 -1.0 2.0
   38    41    42    61   0.04150 -1.0 2.0
   38    41    43    75   0.56750  1.0 1.0
   38    41    43    75  -0.07550 -1.0 2.0
   38    41    43    75   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41    46    74   1.53400  1.0 1.0
   38    41    46    74  -0.09950 -1.0 2.0
   38    41    46    74   0.05700  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41   -46    50   0.56750  1.0 1.0
   38    41   -46    50  -0.07550 -1.0 2.0
   38    41   -46    50   0.20000  1.0 3.0
   39    38    41    42  -0.64350  1.0 1.0
   39    38    41    42  -0.04200 -1.0 2.0
   39    38    41    42   0.19800  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   0.62750  1.0 1.0
   39    38    41    46  -0.30950 -1.0 2.0
   39    38    41    46   0.27300  1.0 3.0
   40    38    41    42   0.43200  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    42    48    49   3.62500 -1.0 2.0
   41    42    48    53   3.62500 -1.0 2.0
   41    42    61    59   3.62500 -1.0 2.0
   41    42    61    66   3.62500 -1.0 2.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    54   0.56750  1.0 1.0
   41    46    50    54  -0.07550 -1.0 2.0
   41    46    50    54   0.20000  1.0 3.0
   42    41    43    75  -0.03700  1.0 1.0
   42    41    43    75   0.37200 -1.0 2.0
   42    41    43    75  -0.47300  1.0 3.0
   42    41    43    44   0.43200  1.0 3.0
   42    41    43    45   0.43200  1.0 3.0
   42    41    46    74   0.83750  1.0 1.0
   42    41    46    74   0.32200 -1.0 2.0
   42    41    46    74   0.70600  1.0 3.0
   42    41    46    47   0.43200  1.0 3.0
   42    41    46    50  -0.03700  1.0 1.0
   42    41    46    50   0.37200 -1.0 2.0
   42    41    46    50  -0.47300  1.0 3.0
   42    48    53    56   3.62500 -1.0 2.0
   42    48    53    73   3.62500 -1.0 2.0
   42    61    66    67   0.00000  1.0 1.0
   42    61    66    68   0.00000  1.0 1.0
   42    61   -66    74   0.18550 -1.0 2.0
   42    61   -66    74   0.14000  1.0 3.0
   48    42    61    59   3.62500 -1.0 2.0
   48    42    61    66   3.62500 -1.0 2.0
   48    53   -56    59   3.62500 -1.0 2.0
   48    53    56    60   3.62500 -1.0 2.0
   48    53    73    63   1.63200 -1.0 2.0
   49    48    53    56   3.62500 -1.0 2.0
   49    48    53    73   3.62500 -1.0 2.0
   53    56    59    61   3.62500 -1.0 2.0
   53    56    59    62   3.62500 -1.0 2.0
   53    56   -60    63   1.63200 -1.0 2.0
   56    53   -73    63   1.63200 -1.0 2.0
   56    59   -61    42   3.62500 -1.0 2.0
   56    59    61    66   3.62500 -1.0 2.0
   56    59    62    69   1.63200 -1.0 2.0
   56    60    63    64   0.08050  1.0 3.0
   56    60    63    65   0.08050  1.0 3.0
   56    60   -63    73  -0.25600  1.0 1.0
   56    60   -63    73  -0.40050 -1.0 2.0
   56    60   -63    73   0.34700  1.0 3.0
   59    56    60    63   1.63200 -1.0 2.0
   59    61    66    67   0.00000  1.0 1.0
   59    61    66    68   0.00000  1.0 1.0
   59    61    66    74   0.18550 -1.0 2.0
   59    61    66    74   0.14000  1.0 3.0
   59    62    69    70   0.08050  1.0 3.0
   59    62    69    71   0.08050  1.0 3.0
   59    62    69    72   0.08050  1.0 3.0
   61    42    48    49   3.62500 -1.0 2.0
   61    42   -48    53   3.62500 -1.0 2.0
   61    59    62    69   1.63200 -1.0 2.0
   61    66    74    75   0.82600  1.0 1.0
   61    66    74    75  -0.32100 -1.0 2.0
   61    66    74    75   1.02000  1.0 3.0
   61    66    74    46   0.82600  1.0 1.0
   61    66    74    46  -0.32100 -1.0 2.0
   61    66    74    46   1.02000  1.0 3.0
   66    74    75    76   0.28000  1.0 3.0
   66    74    75    77   0.28000  1.0 3.0
   66    74    75    43   0.23450  1.0 1.0
   66    74    75    43   0.02050 -1.0 2.0
   66    74    75    43   0.25250  1.0 3.0
   66    74   -46    41   0.23450  1.0 1.0
   66    74   -46    41   0.02050 -1.0 2.0
   66    74   -46    41   0.25250  1.0 3.0
   66    74    46    47   0.28000  1.0 3.0
   66    74    46    50   0.23450  1.0 1.0
   66    74    46    50   0.02050 -1.0 2.0
   66    74    46    50   0.25250  1.0 3.0
   67    66    74    75   0.28000  1.0 3.0
   67    66    74    46   0.28000  1.0 3.0
   68    66    74    75   0.28000  1.0 3.0
   68    66    74    46   0.28000  1.0 3.0
   74    75   -43    41   1.53400  1.0 1.0
   74    75   -43    41  -0.09950 -1.0 2.0
   74    75   -43    41   0.05700  1.0 3.0
   74    75    43    44   0.15000  1.0 3.0
   74    75    43    45   0.15000  1.0 3.0
   74    46    50    51   0.15000  1.0 3.0
   74    46    50    52   0.15000  1.0 3.0
   74    46    50    54   1.53400  1.0 1.0
   74    46    50    54  -0.09950 -1.0 2.0
   74    46    50    54   0.05700  1.0 3.0
   75    74   -46    41   0.23450  1.0 1.0
   75    74   -46    41   0.02050 -1.0 2.0
   75    74   -46    41   0.25250  1.0 3.0
   75    74    46    47   0.28000  1.0 3.0
   75    74    46    50   0.23450  1.0 1.0
   75    74    46    50   0.02050 -1.0 2.0
   75    74    46    50   0.25250  1.0 3.0
   76    75    43    41   0.15000  1.0 3.0
   76    75    43    44   0.15000  1.0 3.0
   76    75    43    45   0.15000  1.0 3.0
   77    75    43    41   0.15000  1.0 3.0
   77    75    43    44   0.15000  1.0 3.0
   77    75    43    45   0.15000  1.0 3.0
   43    41    42    48   0.04150 -1.0 2.0
   43    41    42    61   0.04150 -1.0 2.0
   43    41   -46    74   1.53400  1.0 1.0
   43    41   -46    74  -0.09950 -1.0 2.0
   43    41   -46    74   0.05700  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   46    41    42    48   0.04150 -1.0 2.0
   46    41   -42    61   0.04150 -1.0 2.0
   46    41   -43    75   0.56750  1.0 1.0
   46    41   -43    75  -0.07550 -1.0 2.0
   46    41   -43    75   0.20000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    74    75    76   0.28000  1.0 3.0
   46    74    75    77   0.28000  1.0 3.0
   46    74   -75    43   0.23450  1.0 1.0
   46    74   -75    43   0.02050 -1.0 2.0
   46    74   -75    43   0.25250  1.0 3.0
   46    50   -54    33   0.56750  1.0 1.0
   46    50   -54    33  -0.07550 -1.0 2.0
   46    50   -54    33   0.20000  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    57   0.86500  1.0 1.0
   46    50    54    57  -0.17500 -1.0 2.0
   46    50    54    57   0.20800  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   50    54    57    58  -0.11600  1.0 1.0
   50    54    57    58  -0.09450 -1.0 2.0
   50    54    57    58   0.21250  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.23400  1.0 3.0
   52    50    54    33   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.23400  1.0 3.0
   54    33    38    39   0.62750  1.0 1.0
   54    33    38    39  -0.30950 -1.0 2.0
   54    33    38    39   0.27300  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41   0.56750  1.0 1.0
   54    33   -38    41  -0.07550 -1.0 2.0
   54    33   -38    41   0.20000  1.0 3.0
   55    54    57    58   0.19450  1.0 3.0
   62    59    61    42   3.62500 -1.0 2.0
   62    59    61    66   3.62500 -1.0 2.0
   60    56    59    61   3.62500 -1.0 2.0
   60    56    59    62   3.62500 -1.0 2.0
   60    63   -73    53  -0.25600  1.0 1.0
   60    63   -73    53  -0.40050 -1.0 2.0
   60    63   -73    53   0.34700  1.0 3.0
   64    63    73    53   0.08050  1.0 3.0
   65    63    73    53   0.08050  1.0 3.0
   73    53    56    59   3.62500 -1.0 2.0
   73    53   -56    60   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   48    61    42    41   4.00000 -1.0 2.0
   53    49    48    42   1.10000 -1.0 2.0
   56    73    53    48   4.00000 -1.0 2.0
   59    60    56    53   4.00000 -1.0 2.0
   61    62    59    56   4.00000 -1.0 2.0
   59    66    61    42   4.00000 -1.0 2.0
END
