* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    148    245     439
    1     0 S   NP   _N1_     1    28.61744    93.80932   -23.98788
    2     1 S   H    _HN1     2     1.02961    86.81302    30.47774
    3     1 S   H    _H1_     3     1.02838    22.05254  -172.65666
    4     1 S   H    _H2_     4     1.02779   107.35245   -77.72580
    5     1 S   CT   _CA1     5     1.50109   127.93539   144.00170
    6     5 S   HC   _HA1     6     1.09575   105.24603    75.14237
    7     5 S   CO3  _C1_     7     1.53784   112.38457   -45.07912
    8     7 S   O2Z  _O11     8     1.26354   115.00885   -44.49218
    9     7 S   O2Z  _O12     9     1.26239   114.91501   134.74434
   10     5 S   CT   _CB1    10     1.53101   107.43189  -166.96807
   11    10 S   HC   HB11    11     1.09824   109.32225   -51.21310
   12    10 S   HC   HB12    12     1.09820   110.41767    65.32577
   13    10 S   CT   _CG1    13     1.53008   112.67443  -172.34311
   14    13 S   HC   HG11    14     1.09599   110.41386   -63.54333
   15    13 S   HC   HG12    15     1.09650   110.01076    55.67000
   16    13 S   C    _CD1    16     1.51814   112.33452   176.00433
   17    16 S   O    _OE1    17     1.22716   123.27242    -3.46012
   18    16 S   N    _N2_    18     1.38639   111.62814   176.80022
   19    18 S   H    _HN2    19     1.01588   119.00290     1.26702
   20    18 S   CT1  _CA2    20     1.46170   123.37362   179.95154
   21    20 S   HC   _HA2    21     1.09737   109.39340    -9.11977
   22    20 S   C    _C2_    22     1.53444   108.34703  -124.69371
   23    22 S   O    _O2_    23     1.23020   122.19710  -145.39545
   24    20 S   CT   _CB2    32     1.53399   111.60902   112.92753
   25    24 S   HC   HB21    33     1.09607   110.04120    54.93434
   26    24 S   HC   HB22    34     1.09441   110.21317   173.78142
   27    22 S   N    _N3_    24     1.38493   113.41880    41.95269
   28    27 S   H    _HN3    25     1.01518   118.95472    -0.59380
   29    24 S   S    _SG2    35     1.82856   111.84151   -65.66600
   30    27 S   CT   _CA3    26     1.45452   123.44581   174.99246
   31    30 S   HC   HA31    27     1.09522   109.26177    24.27509
   32    30 S   HC   HA32    28     1.09496   107.12915   141.29354
   33    29 S   CT   _C12    36     1.84336    99.52712  -177.23303
   34    33 S   HC   _H3_    37     1.09621   105.04085   -27.76758
   35    30 S   CO3  _C3_    29     1.52923   113.04402   -99.20433
   36    35 S   O2Z  _O31    30     1.26406   115.36976   -45.21745
   37    35 S   O2Z  _O32    31     1.26349   115.00214   135.67683
   38    33 S   CT   _C11    38     1.54954   114.76172    91.33877
   39    38 S   HC   _H31    39     1.09554   109.51904  -124.86827
   40    38 S   C3T  _C15    40     1.51217   106.02562   116.91259
   41    38 S   OH   _O20    75     1.42101   114.20901    -4.61677
   42    41 S   HO   _H40    76     0.97081   107.77940   -53.90861
   43    40 S   C3T  _C7_    41     1.52414   118.37676   150.98371
   44    43 S   HC   _H26    42     1.07907   121.28817  -150.35954
   45    43 S   HC   _H27    43     1.08418   118.38494    -2.57230
   46    40 S   CT   _C14    45     1.53435   111.21538   -10.45197
   47    40 S   O3T  _O18    44     1.44142   115.61385  -143.97550
   48    46 S   CT   _C10    46     1.55934   117.24995   146.16003
   49    48 S   HC   _H30    47     1.09766   107.69275   163.51511
   50    46 S   CT   _C18    71     1.55187   108.47607   -91.89731
   51    50 S   HC   _H36    72     1.09382   112.19523    50.29198
   52    50 S   HC   _H37    73     1.09626   111.00212   -68.93775
   53    50 S   HC   _H38    74     1.09528   111.68360   171.63675
   54    48 S   CT   _C9_    48     1.54730   115.08456   -77.59932
   55    54 S   HC   _H29    49     1.09383   109.87304   171.80628
   56    48 S   OH   _O19    69     1.42461   111.57756    49.92821
   57    56 S   HO   _H39    70     0.97235   107.90588   174.78534
   58    54 S   CT   _C13    50     1.53508   110.92992   -61.47998
   59    58 S   CT   _C8_    51     1.54653    96.44353    71.85401
   60    59 S   HC   _H28    52     1.09407   111.02907   163.85873
   61    58 S   CM   _C6_    59     1.53677   112.64211  -164.89750
   62    58 S   OH   _O21    67     1.42224   110.77434   -46.22718
   63    62 S   HO   _H41    68     0.97309   108.25309   135.24951
   64    59 S   CO4  _C4_    53     1.51255    98.67552    46.01743
   65    64 S   O    _O16    54     1.21941   126.49707   149.45319
   66    33 S   CT   _C16    56     1.56930   114.29674  -146.03624
   67    61 S   CM   _C5_    60     1.34496   124.95385  -117.67802
   68    67 S   HC   _H24    61     1.08617   121.07898  -179.20771
   69    67 S   HC   _H25    62     1.08290   123.20880     0.77582
   70    61 S   CT   _C17    63     1.51181   116.49461    64.12712
   71    70 S   HC   _H33    64     1.09361   110.90515   -66.91959
   72    70 S   HC   _H34    65     1.09444   110.87215    53.93983
   73    70 S   HC   _H35    66     1.09578   112.11282   173.42353
   74    54 S   OS   _O17    55     1.43922   110.60901    52.07007
   75    66 S   OH   _O22    57     1.43053   110.94227    18.92673
   76    75 S   HO   _H42    58     0.97335   107.94787    32.15298
  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
  18   8   2   1   1  14   7  18   5   1   7   3   2  19   3  17
   8   8   3   2   1  15   7   4   1  17  12   7  12   6   1   4
   2   3   6   2   1   3   2   1   1   1   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    66    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    59    66    75    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    46    48    58    59    60    64    66    75    76    50    41    42  
   38    39    40    46    59    66    75    41  
   36    37  
   37  
    0  
   39    40    43    44    45    47    46    48    59    66    75    50    41    42  
   40    43    47    46    66    41    42  
   43    44    45    47    46    48    49    54    59    66    75    56    50    51    52    53    41    42  
   42    43    46    47    66  
    0  
   44    45    47    46    48    66    50  
   45    47    46  
   47    46  
   48    49    54    55    58    59    60    64    74    66    75    76    56    57    50    51    52    53    47  
   48    66    50  
   49    54    55    58    59    64    74    66    75    61    62    56    57    50    51    52    53  
   54    55    58    74    66    56    57    50  
   51    52    53    54    56    59    66    75  
   52    53    66  
   53    66  
   66  
   55    58    59    60    64    65    74    66    61    67    70    62    63    56    57  
   58    59    64    74    61    62    56  
   57    58    66    74  
    0  
   59    60    64    65    74    66    75    61    67    68    69    70    71    72    73    62    63  
   60    64    65    74    66    75    76    61    67    70    62    63  
   64    65    74    66    75    61    62  
   67    68    69    70    71    72    73    62    63    64    66    74  
   63    64    66    67    70    74  
    0  
   65    74    66    75  
   74    66  
   75    76    74  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
    0  
   76  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.056200   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    66   268.000  1.529
   38    39   340.000  1.090
   38    40   275.000  1.510
   38    41   320.000  1.410
   40    43   260.000  1.509
   40    47   335.000  1.432
   40    46   275.000  1.510
   43    44   340.000  1.088
   43    45   340.000  1.088
   43    47   335.000  1.432
   46    48   268.000  1.529
   46    66   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    74   320.000  1.410
   58    59   268.000  1.529
   58    61   317.000  1.510
   58    62   320.000  1.410
   59    60   340.000  1.090
   59    64   317.000  1.522
   59    66   268.000  1.529
   64    65   570.000  1.229
   64    74   214.000  1.327
   66    75   320.000  1.410
   75    76   553.000  0.945
   61    67   549.000  1.340
   61    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    63   553.000  0.945
   56    57   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    66    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.37300
   33    38    41    50.00000  109.50000
   33    66    46    58.35000  112.70000
   33    66    59    58.35000  112.70000
   33    66    75    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    60.00000  120.94000
   38    40    47    80.00000  116.47100
   38    40    46    58.35000  112.70000
   38    41    42    55.00000  108.50000
   40    38    39    45.00000  109.38400
   40    43    44    37.50000  117.20000
   40    43    45    37.50000  117.20000
   40    43    47    15.00000   60.43100
   40    47    43    15.00000   59.14900
   40    46    48    70.00000  112.37300
   40    46    66    70.00000  112.37300
   40    46    50    70.00000  112.37300
   45    43    44    35.00000  114.30000
   47    40    43    15.00000   60.43100
   47    43    44    50.00000  114.27700
   47    43    45    50.00000  114.27700
   46    40    43    60.00000  120.94000
   46    40    47    80.00000  116.47100
   46    48    49    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    48    56    50.00000  109.50000
   46    66    59    58.35000  112.70000
   46    66    75    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    54    74    50.00000  109.50000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    58    59    58.35000  112.70000
   54    58    61    70.00000  112.02700
   54    58    62    50.00000  109.50000
   54    74    64    83.00000  116.90000
   58    54    55    37.50000  110.70000
   58    59    60    37.50000  110.70000
   58    59    64    63.00000  111.10000
   58    59    66    58.35000  112.70000
   58    61    67    70.00000  124.00000
   58    61    70    65.00000  117.92700
   58    62    63    55.00000  108.50000
   59    64    65    80.00000  120.40000
   59    64    74    81.00000  111.40000
   59    66    75    50.00000  109.50000
   64    59    60    35.00000  109.50000
   74    54    55    35.00000  109.50000
   74    54    58    50.00000  109.50000
   74    64    65    83.00000  123.40000
   66    33    34    37.50000  110.70000
   66    33    38    58.35000  112.70000
   66    46    48    58.35000  112.70000
   66    59    60    37.50000  110.70000
   66    59    64    63.00000  111.10000
   66    75    76    55.00000  108.50000
   61    58    59    70.00000  112.02700
   61    67    68    35.00000  120.00000
   61    67    69    35.00000  120.00000
   61    70    71    35.00000  109.50000
   61    70    72    35.00000  109.50000
   61    70    73    35.00000  109.50000
   69    67    68    35.00000  117.00000
   70    61    67    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    58    59    50.00000  109.50000
   62    58    61    90.00000  110.39200
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   50    46    48    58.35000  112.70000
   50    46    66    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    66    46   0.44750  1.0 1.0
   29    33    66    46  -0.17800 -1.0 2.0
   29    33    66    46   0.20200  1.0 3.0
   29    33    66    59   0.44750  1.0 1.0
   29    33    66    59  -0.17800 -1.0 2.0
   29    33    66    59   0.20200  1.0 3.0
   29    33    66    75   0.56750  1.0 1.0
   29    33    66    75  -0.07550 -1.0 2.0
   29    33    66    75   0.20000  1.0 3.0
   33    38    40    43   0.07850  1.0 1.0
   33    38    40    43  -0.03950 -1.0 2.0
   33    38    40    43   0.67350  1.0 3.0
   33    38    40    47   0.02550  1.0 1.0
   33    38    40    47  -0.02600 -1.0 2.0
   33    38    40    47   1.20400  1.0 3.0
   33    38   -40    46   0.56750  1.0 1.0
   33    38   -40    46  -0.07550 -1.0 2.0
   33    38   -40    46   0.20000  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    66    75    76  -0.11600  1.0 1.0
   33    66    75    76  -0.09450 -1.0 2.0
   33    66    75    76   0.21250  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   0.23400  1.0 3.0
   34    33    66    46   0.15000  1.0 3.0
   34    33    66    59   0.15000  1.0 3.0
   34    33    66    75   0.23400  1.0 3.0
   38    33   -66    46   0.56750  1.0 1.0
   38    33   -66    46  -0.07550 -1.0 2.0
   38    33   -66    46   0.20000  1.0 3.0
   38    33    66    59   0.56750  1.0 1.0
   38    33    66    59  -0.07550 -1.0 2.0
   38    33    66    59   0.20000  1.0 3.0
   38    33    66    75   0.86500  1.0 1.0
   38    33    66    75  -0.17500 -1.0 2.0
   38    33    66    75   0.20800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40   -43    47   0.02550  1.0 1.0
   38    40   -43    47  -0.02600 -1.0 2.0
   38    40   -43    47   1.20400  1.0 3.0
   38    40   -47    43   0.06250  1.0 1.0
   38    40   -47    43  -0.01100 -1.0 2.0
   38    40   -47    43   0.28050  1.0 3.0
   38    40    46    48   0.56750  1.0 1.0
   38    40    46    48  -0.07550 -1.0 2.0
   38    40    46    48   0.20000  1.0 3.0
   38    40   -46    66   0.56750  1.0 1.0
   38    40   -46    66  -0.07550 -1.0 2.0
   38    40   -46    66   0.20000  1.0 3.0
   38    40    46    50   0.56750  1.0 1.0
   38    40    46    50  -0.07550 -1.0 2.0
   38    40    46    50   0.20000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    54   0.47050  1.0 1.0
   40    46    48    54   0.03900 -1.0 2.0
   40    46    48    54   0.20100  1.0 3.0
   40    46    48    56   0.86500  1.0 1.0
   40    46    48    56  -0.17500 -1.0 2.0
   40    46    48    56   0.20800  1.0 3.0
   40    46   -66    33   0.47050  1.0 1.0
   40    46   -66    33   0.03900 -1.0 2.0
   40    46   -66    33   0.20100  1.0 3.0
   40    46    66    59   0.47050  1.0 1.0
   40    46    66    59   0.03900 -1.0 2.0
   40    46    66    59   0.20100  1.0 3.0
   40    46    66    75   0.86500  1.0 1.0
   40    46    66    75  -0.17500 -1.0 2.0
   40    46    66    75   0.20800  1.0 3.0
   40    46    50    51   0.15000  1.0 3.0
   40    46    50    52   0.15000  1.0 3.0
   40    46    50    53   0.15000  1.0 3.0
   43    40    46    48   0.07850  1.0 1.0
   43    40    46    48  -0.03950 -1.0 2.0
   43    40    46    48   0.67350  1.0 3.0
   43    40    46    66   0.07850  1.0 1.0
   43    40    46    66  -0.03950 -1.0 2.0
   43    40    46    66   0.67350  1.0 3.0
   43    40    46    50   0.07850  1.0 1.0
   43    40    46    50  -0.03950 -1.0 2.0
   43    40    46    50   0.67350  1.0 3.0
   44    43   -47    40   0.36800  1.0 3.0
   45    43   -47    40   0.36800  1.0 3.0
   47    40   -43    44   0.23400  1.0 3.0
   47    40   -43    45   0.23400  1.0 3.0
   47    40    46    48   0.02550  1.0 1.0
   47    40    46    48  -0.02600 -1.0 2.0
   47    40    46    48   1.20400  1.0 3.0
   47    40    46    66   0.02550  1.0 1.0
   47    40    46    66  -0.02600 -1.0 2.0
   47    40    46    66   1.20400  1.0 3.0
   47    40    46    50   0.02550  1.0 1.0
   47    40    46    50  -0.02600 -1.0 2.0
   47    40    46    50   1.20400  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40   -43    47   0.02550  1.0 1.0
   46    40   -43    47  -0.02600 -1.0 2.0
   46    40   -43    47   1.20400  1.0 3.0
   46    40   -47    43   0.06250  1.0 1.0
   46    40   -47    43  -0.01100 -1.0 2.0
   46    40   -47    43   0.28050  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    58   0.56750  1.0 1.0
   46    48    54    58  -0.07550 -1.0 2.0
   46    48    54    58   0.20000  1.0 3.0
   46    48    54    74   0.62750  1.0 1.0
   46    48    54    74  -0.30950 -1.0 2.0
   46    48    54    74   0.27300  1.0 3.0
   46    48    56    57  -0.11600  1.0 1.0
   46    48    56    57  -0.09450 -1.0 2.0
   46    48    56    57   0.21250  1.0 3.0
   46    66    75    76  -0.11600  1.0 1.0
   46    66    75    76  -0.09450 -1.0 2.0
   46    66    75    76   0.21250  1.0 3.0
   48    46    66    33   0.56750  1.0 1.0
   48    46    66    33  -0.07550 -1.0 2.0
   48    46    66    33   0.20000  1.0 3.0
   48    46    66    59   0.56750  1.0 1.0
   48    46    66    59  -0.07550 -1.0 2.0
   48    46    66    59   0.20000  1.0 3.0
   48    46    66    75   0.86500  1.0 1.0
   48    46    66    75  -0.17500 -1.0 2.0
   48    46    66    75   0.20800  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    54   -58    59   0.56750  1.0 1.0
   48    54   -58    59  -0.07550 -1.0 2.0
   48    54   -58    59   0.20000  1.0 3.0
   48    54    58    61   0.34400  1.0 1.0
   48    54    58    61   0.09450 -1.0 2.0
   48    54    58    61   0.11100  1.0 3.0
   48    54    58    62   0.86500  1.0 1.0
   48    54    58    62  -0.17500 -1.0 2.0
   48    54    58    62   0.20800  1.0 3.0
   48    54    74    64  -0.25900  1.0 1.0
   48    54    74    64  -0.47000 -1.0 2.0
   48    54    74    64   0.11750  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    58   0.15000  1.0 3.0
   49    48    54    74   0.23400  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   54    58    59    60   0.15000  1.0 3.0
   54    58   -59    64  -0.95700  1.0 1.0
   54    58   -59    64  -0.18200 -1.0 2.0
   54    58   -59    64   0.29450  1.0 3.0
   54    58    59    66   0.56750  1.0 1.0
   54    58    59    66  -0.07550 -1.0 2.0
   54    58    59    66   0.20000  1.0 3.0
   54    58    61    67   0.09850  1.0 1.0
   54    58    61    67   0.15250 -1.0 2.0
   54    58    61    67  -0.50650  1.0 3.0
   54    58    61    70   0.46850  1.0 1.0
   54    58    61    70   0.08550 -1.0 2.0
   54    58    61    70   0.09800  1.0 3.0
   54    58    62    63  -0.11600  1.0 1.0
   54    58    62    63  -0.09450 -1.0 2.0
   54    58    62    63   0.21250  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    58    62   0.23400  1.0 3.0
   55    54    74    64   0.08050  1.0 3.0
   58    54   -74    64  -0.25900  1.0 1.0
   58    54   -74    64  -0.47000 -1.0 2.0
   58    54   -74    64   0.11750  1.0 3.0
   58    59    64    65   0.30150 -1.0 2.0
   58    59   -64    74   0.36750  1.0 3.0
   58    59    66    33   0.56750  1.0 1.0
   58    59    66    33  -0.07550 -1.0 2.0
   58    59    66    33   0.20000  1.0 3.0
   58    59   -66    46   0.56750  1.0 1.0
   58    59   -66    46  -0.07550 -1.0 2.0
   58    59   -66    46   0.20000  1.0 3.0
   58    59    66    75   0.86500  1.0 1.0
   58    59    66    75  -0.17500 -1.0 2.0
   58    59    66    75   0.20800  1.0 3.0
   58    61    67    68   7.00000 -1.0 2.0
   58    61    67    69   7.00000 -1.0 2.0
   58    61    70    71   0.34800  1.0 3.0
   58    61    70    72   0.34800  1.0 3.0
   58    61    70    73   0.34800  1.0 3.0
   59    58    61    67   0.09850  1.0 1.0
   59    58    61    67   0.15250 -1.0 2.0
   59    58    61    67  -0.50650  1.0 3.0
   59    58    61    70   0.46850  1.0 1.0
   59    58    61    70   0.08550 -1.0 2.0
   59    58    61    70   0.09800  1.0 3.0
   59    58    62    63  -0.11600  1.0 1.0
   59    58    62    63  -0.09450 -1.0 2.0
   59    58    62    63   0.21250  1.0 3.0
   59    64   -74    54   1.63150  1.0 1.0
   59    64   -74    54   2.92000 -1.0 2.0
   59    66    75    76  -0.11600  1.0 1.0
   59    66    75    76  -0.09450 -1.0 2.0
   59    66    75    76   0.21250  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    74   0.00000  1.0 1.0
   60    59    66    33   0.15000  1.0 3.0
   60    59    66    46   0.15000  1.0 3.0
   60    59    66    75   0.23400  1.0 3.0
   64    59    66    33  -0.95700  1.0 1.0
   64    59    66    33  -0.18200 -1.0 2.0
   64    59    66    33   0.29450  1.0 3.0
   64    59    66    46  -0.95700  1.0 1.0
   64    59    66    46  -0.18200 -1.0 2.0
   64    59    66    46   0.29450  1.0 3.0
   64    59    66    75  -0.09450  1.0 1.0
   64    59    66    75  -1.12950 -1.0 2.0
   64    59    66    75   0.54000  1.0 3.0
   65    64    74    54   3.00000 -1.0 2.0
   74    54   -58    59   0.62750  1.0 1.0
   74    54   -58    59  -0.30950 -1.0 2.0
   74    54   -58    59   0.27300  1.0 3.0
   74    54    58    61   0.61850  1.0 1.0
   74    54    58    61  -0.22750 -1.0 2.0
   74    54    58    61   0.15300  1.0 3.0
   74    54    58    62   3.69350  1.0 1.0
   74    54    58    62  -1.82950 -1.0 2.0
   66    33    38    39   0.15000  1.0 3.0
   66    33   -38    40   0.47050  1.0 1.0
   66    33   -38    40   0.03900 -1.0 2.0
   66    33   -38    40   0.20100  1.0 3.0
   66    33    38    41   0.86500  1.0 1.0
   66    33    38    41  -0.17500 -1.0 2.0
   66    33    38    41   0.20800  1.0 3.0
   66    46    48    49   0.15000  1.0 3.0
   66    46   -48    54   0.56750  1.0 1.0
   66    46   -48    54  -0.07550 -1.0 2.0
   66    46   -48    54   0.20000  1.0 3.0
   66    46    48    56   0.86500  1.0 1.0
   66    46    48    56  -0.17500 -1.0 2.0
   66    46    48    56   0.20800  1.0 3.0
   66    46    50    51   0.15000  1.0 3.0
   66    46    50    52   0.15000  1.0 3.0
   66    46    50    53   0.15000  1.0 3.0
   66    59    64    65   0.30150 -1.0 2.0
   66    59    64    74   0.36750  1.0 3.0
   61    58    59    60   0.15000  1.0 3.0
   61    58    59    64  -0.98800  1.0 1.0
   61    58    59    64   0.48800 -1.0 2.0
   61    58    59    64   0.76800  1.0 3.0
   61    58    59    66   0.34400  1.0 1.0
   61    58    59    66   0.09450 -1.0 2.0
   61    58    59    66   0.11100  1.0 3.0
   61    58    62    63  -0.07800  1.0 1.0
   61    58    62    63  -0.21500 -1.0 2.0
   61    58    62    63  -0.03150  1.0 3.0
   67    61    70    71   0.00000  1.0 1.0
   67    61    70    72   0.00000  1.0 1.0
   67    61    70    73   0.00000  1.0 1.0
   70    61    67    68   7.00000 -1.0 2.0
   70    61    67    69   7.00000 -1.0 2.0
   62    58    59    60   0.23400  1.0 3.0
   62    58    59    64  -0.09450  1.0 1.0
   62    58    59    64  -1.12950 -1.0 2.0
   62    58    59    64   0.54000  1.0 3.0
   62    58    59    66   0.86500  1.0 1.0
   62    58    59    66  -0.17500 -1.0 2.0
   62    58    59    66   0.20800  1.0 3.0
   62    58    61    67   0.67800  1.0 1.0
   62    58    61    67   0.47050 -1.0 2.0
   62    58    61    67  -0.62500  1.0 3.0
   62    58    61    70   0.18000  1.0 1.0
   62    58    61    70   0.16450 -1.0 2.0
   62    58    61    70   0.04450  1.0 3.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    58   0.86500  1.0 1.0
   56    48    54    58  -0.17500 -1.0 2.0
   56    48    54    58   0.20800  1.0 3.0
   56    48    54    74   3.69350  1.0 1.0
   56    48    54    74  -1.82950 -1.0 2.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    54   0.56750  1.0 1.0
   50    46    48    54  -0.07550 -1.0 2.0
   50    46    48    54   0.20000  1.0 3.0
   50    46    48    56   0.86500  1.0 1.0
   50    46    48    56  -0.17500 -1.0 2.0
   50    46    48    56   0.20800  1.0 3.0
   50    46    66    33   0.56750  1.0 1.0
   50    46    66    33  -0.07550 -1.0 2.0
   50    46    66    33   0.20000  1.0 3.0
   50    46    66    59   0.56750  1.0 1.0
   50    46    66    59  -0.07550 -1.0 2.0
   50    46    66    59   0.20000  1.0 3.0
   50    46    66    75   0.86500  1.0 1.0
   50    46    66    75  -0.17500 -1.0 2.0
   50    46    66    75   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    47   3.69350  1.0 1.0
   41    38    40    47  -1.82950 -1.0 2.0
   41    38    40    46   0.86500  1.0 1.0
   41    38    40    46  -0.17500 -1.0 2.0
   41    38    40    46   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   59    74    64    65  10.50000 -1.0 2.0
   58    70    61    67  15.00000 -1.0 2.0
   68    69    67    61  15.00000 -1.0 2.0
END
