* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    156    233     429
    1     0 S   NP   _N1_     1    29.87173    95.64193   -14.68996
    2     1 S   H    _HN1     2     1.03483    59.52156   129.86937
    3     1 S   H    _H1_     3     1.02712    48.00502   -45.81617
    4     1 S   H    _H2_     4     1.02893   122.74282    39.75486
    5     1 S   CT   _CA1     5     1.49644   126.04217  -135.16577
    6     5 S   HC   _HA1     6     1.09577   105.51073    -3.21650
    7     5 S   CO3  _C1_     7     1.53865   111.88048  -123.37789
    8     7 S   O2Z  _O11     8     1.26276   115.06777   -61.98443
    9     7 S   O2Z  _O12     9     1.26258   114.80459   117.91485
   10     5 S   CT   _CB1    10     1.53171   107.37474   114.51266
   11    10 S   HC   HB11    11     1.09815   109.62707   -53.62031
   12    10 S   HC   HB12    12     1.09826   110.29820    62.71741
   13    10 S   CT   _CG1    13     1.53089   112.52040  -174.88760
   14    13 S   HC   HG11    14     1.09518   110.34527   -50.33625
   15    13 S   HC   HG12    15     1.09573   110.44103    68.53253
   16    13 S   C    _CD1    16     1.51750   111.19819  -171.54286
   17    16 S   O    _OE1    17     1.22789   122.53356   -35.03706
   18    16 S   N    _N2_    18     1.38432   112.20896   145.68793
   19    18 S   H    _HN2    19     1.01576   119.19541     1.71018
   20    18 S   CT1  _CA2    20     1.46359   123.77413  -174.95550
   21    20 S   HC   _HA2    21     1.09735   109.34274   -18.36541
   22    20 S   C    _C2_    22     1.53454   108.41913  -134.04171
   23    22 S   O    _O2_    23     1.22991   122.40997  -148.28730
   24    20 S   CT   _CB2    32     1.53588   110.52219   103.78395
   25    24 S   HC   HB21    33     1.09353   108.97335    50.28732
   26    24 S   HC   HB22    34     1.09477   111.12956   168.79085
   27    22 S   N    _N3_    24     1.38590   113.29126    39.49804
   28    27 S   H    _HN3    25     1.01529   118.81725    -0.79942
   29    24 S   S    _SG2    35     1.82225   111.07077   -71.89614
   30    27 S   CT   _CA3    26     1.45447   123.50272   174.98417
   31    30 S   HC   HA31    27     1.09520   109.26647    23.50101
   32    30 S   HC   HA32    28     1.09496   107.09877   140.50945
   33    29 S   C4T  _C16    36     1.85737    99.87026   147.48006
   34    30 S   CO3  _C3_    29     1.52931   113.16654  -100.00579
   35    34 S   O2Z  _O31    30     1.26402   115.44713   -43.27742
   36    34 S   O2Z  _O32    31     1.26363   114.96907   137.70841
   37    33 S   S    _S3_    37     1.85843   112.89827  -171.76718
   38    33 S   S    _S4_    40     1.85471   112.95891   -75.54404
   39    33 S   CM   _C17    78     1.50218   114.50955    59.36141
   40    37 S   C4T  _C15    38     1.82454    81.86621    80.20015
   41    40 S   HC   _H4_    39     1.09518   114.32557   -81.16140
   42    39 S   CMA  _C18    79     1.36105   123.23383    61.59275
   43    42 S   OM   _O36    80     1.26002   131.21728     0.27052
   44    39 S   CO3  _C19    84     1.53956   119.19524  -117.73424
   45    44 S   O2Z  _O38    85     1.26534   115.28218   -98.07414
   46    44 S   O2Z  _O37    86     1.26479   115.25565    82.30384
   47    40 S   C    _C14    41     1.56014   111.18790   149.54452
   48    47 S   O    _O35    42     1.23397   125.87820   -75.63177
   49    42 S   NE   _N10    81     1.37037   121.87329  -179.77445
   50    49 S   H    _H16    82     1.01046   121.56674    -2.14867
   51    49 S   H    _H17    83     1.01100   117.54000  -179.14431
   52    47 S   N    _N9_    43     1.39309   111.77328   103.04880
   53    52 S   H    _H15    44     1.01686   117.70105     0.87402
   54    52 S   C4T  _C10    45     1.49121   124.04462  -178.07817
   55    54 S   C4   _C9_    46     1.58831   112.01089   -81.57143
   56    55 S   O    _O33    47     1.20855   137.16366    72.48764
   57    54 S   C4T  _C11    55     1.57189   114.83028  -174.75394
   58    57 S   HC   _H3_    56     1.09739   113.55892  -144.69338
   59    54 S   OS   _O34    73     1.45143   115.90201    48.03790
   60    55 S   N4   _N8_    48     1.35049    89.77811  -104.40602
   61    59 S   CT   _C13    74     1.42076   116.51910    62.42887
   62    61 S   HC   _H12    75     1.09303   108.40207   175.84042
   63    61 S   HC   _H13    76     1.09341   110.53735    56.73830
   64    61 S   HC   _H14    77     1.09326   110.43357   -65.21060
   65    60 S   CM   _C8_    49     1.35858   137.91897   172.26472
   66    65 S   CM   _C7_    50     1.35571   121.43359  -168.64808
   67    65 S   CO3  _C20    70     1.54034   119.05892     7.76650
   68    67 S   O2Z  _O40    71     1.26574   114.72823   -96.66598
   69    67 S   O2Z  _O39    72     1.26324   114.98482    83.64566
   70    66 S   CT   _C12    51     1.52579   123.24334     1.61979
   71    70 S   HC   _H10    52     1.09433   110.49617   142.34217
   72    70 S   HC   _H11    53     1.09548   109.44574   -99.38619
   73    66 S   CT   _C6_    57     1.51654   123.11091  -177.12969
   74    73 S   HC   _H8_    58     1.09639   109.40837   140.25210
   75    73 S   HC   _H9_    59     1.09454   111.83382    22.69083
   76    70 S   S    _S2_    54     1.82542   113.82932    23.15482
   77    73 S   S    _S1_    60     1.81918   110.38491   -99.00340
   78    77 S   CRA  _C5_    61     1.72532   101.13823   179.69481
   79    78 S   N5B  _N7_    62     1.31390   127.91581     7.10824
   80    79 S   N5B  _N6_    63     1.37563   105.75199   179.73681
   81    80 S   N5A  _N5_    64     1.32721   111.12035    -0.03956
   82    78 S   NA   _N4_    65     1.36434   123.51067  -173.22584
   83    82 S   CT   _C4_    66     1.43738   130.09271     0.42290
   84    83 S   HC   _H5_    67     1.09274   108.69535    59.58814
   85    83 S   HC   _H6_    68     1.09331   109.58625   179.28045
   86    83 S   HC   _H7_    69     1.09270   108.66264   -61.01175
  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   7   5   4   3
  12   2   1   1   9   8   9   6   3   7   4   3   1   1   7   3
   2   1   1  10   4  13  10   4  11   5   6   8   3   2   1   1
  12  12   4   1   1   7   3   2   7   3   2   1   6   8   4   3
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    38    39    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    38    47    39    42    43    49    44    45    46  
   35    36  
   36  
    0  
   40    41    38    47    48    52    39    42    44  
   47    48    52    39    42    44    40    41  
   42    43    49    50    51    44    45    46    40  
   41    47    48    52    53    54  
   47    48    52  
   43    49    50    51    44    45    46  
   49    50    51    44  
   45    46    49  
   46  
    0  
   48    52    53    54    55    57    59  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    60    76    57    58    59    61  
   54    55    57    59  
   55    56    60    65    70    76    57    58    59    61    62    63    64  
   56    60    65    66    76    57    58    67    59    61  
   60    65    57    59  
   58    67    59    61    60    65    66    70    71    72    76  
   59    60    65    70    76  
   61    62    63    64    60    76  
   65    66    70    76    73    67    68    69  
   62    63    64  
   63    64  
   64  
    0  
   66    70    71    72    76    73    74    75    77    67    68    69  
   70    71    72    76    73    74    75    77    78    67    68    69  
   68    69    70    73  
   69  
    0  
   71    72    76    73    74    75    77  
   72    76    73  
   76    73  
   74    75    77    78    79    82    76  
   75    77    78  
   77    78  
    0  
   78    79    80    81    82    83  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.324000   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   0.469500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.6000   0.3550  -0.313000   2.0300   1.8000   0.025682759  -1.666211680
   38   3.6000   0.3550  -0.313000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.5500   0.0760  -0.911500   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660   0.253000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660   0.047500   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   77   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   78   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   80   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   81   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   82   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   83   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   200.000  1.824
   33    37   200.000  1.824
   33    38   200.000  1.824
   33    39   317.000  1.510
   37    40   200.000  1.824
   40    41   340.000  1.090
   40    38   200.000  1.824
   40    47   317.000  1.522
   47    48   570.000  1.229
   47    52   490.000  1.335
   52    53   434.000  1.010
   52    54   337.000  1.449
   54    55   250.000  1.540
   54    57   268.000  1.529
   54    59   320.000  1.410
   55    56   930.000  1.212
   55    60   440.000  1.369
   60    65   400.000  1.384
   60    57   305.000  1.456
   65    66   549.000  1.340
   65    67   230.000  1.545
   66    70   317.000  1.510
   66    73   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   222.000  1.810
   76    57   200.000  1.824
   57    58   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   222.000  1.810
   77    78   245.000  1.755
   78    79   488.000  1.335
   78    82   477.000  1.343
   79    80   290.000  1.379
   80    81   420.000  1.291
   81    82   400.000  1.349
   82    83   320.000  1.443
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   67    68   656.000  1.250
   67    69   656.000  1.250
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    42   465.000  1.376
   39    44   230.000  1.545
   42    43   745.000  1.250
   42    49   415.000  1.382
   49    50   434.000  1.010
   49    51   434.000  1.010
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000   99.86700
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  118.28000
   29    33    38    75.00000  118.28000
   29    33    39    75.00000  112.20000
   33    37    40    60.00000   90.00000
   33    38    40    60.00000   90.00000
   33    39    42    70.00000  124.00000
   33    39    44    65.00000  117.04000
   37    40    41    45.00000  109.41400
   37    40    38    65.00000   91.00000
   37    40    47    70.00000  112.33000
   40    47    48    80.00000  120.40000
   40    47    52    70.00000  116.60000
   38    33    37    65.00000   91.00000
   38    40    41    45.00000  109.41400
   47    40    41    35.00000  109.50000
   47    40    38    70.00000  112.33000
   47    52    53    35.00000  119.80000
   47    52    54    50.00000  121.90000
   52    47    48    80.00000  122.90000
   52    54    55    75.00000  110.24000
   52    54    57    80.00000  110.05700
   52    54    59    95.00000  111.00000
   54    52    53    38.00000  118.40000
   54    55    56    60.00000  136.58000
   54    55    60    95.00000   92.72400
   54    57    60   105.00000   87.49700
   54    57    76    65.00000  119.05700
   54    57    58    37.50000  110.70000
   54    59    61    60.00000  109.50000
   55    60    65    50.00000  132.10000
   55    60    57   100.00000   93.00000
   60    55    56    75.00000  131.60000
   60    65    66    75.00000  120.83300
   60    65    67    80.00000  114.48000
   60    57    76    80.00000  108.62000
   60    57    58    50.00000  112.01000
   65    66    70    70.00000  124.00000
   65    66    73    70.00000  124.00000
   65    67    68    85.00000  113.83300
   65    67    69    85.00000  113.83300
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    76    75.00000  112.20000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    77    75.00000  112.20000
   70    76    57    85.00000   99.86700
   72    70    71    33.00000  107.80000
   76    70    71    35.00000  109.50000
   76    70    72    35.00000  109.50000
   76    57    58    45.00000  109.41400
   57    54    55   100.00000   86.36000
   57    60    65    50.00000  132.70000
   73    66    70    65.00000  117.92700
   73    77    78    85.00000   97.05500
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    78    79    70.00000  126.12900
   77    78    82    70.00000  123.45500
   78    79    80   100.00000  108.10500
   78    82    81    95.00000  110.06400
   78    82    83    60.00000  127.66100
   79    80    81   100.00000  111.97400
   80    81    82   110.00000  106.81600
   81    82    83    75.00000  118.68000
   82    78    79    70.00000  120.00000
   82    83    84    50.00000  108.61900
   82    83    85    50.00000  108.61900
   82    83    86    50.00000  108.61900
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   67    65    66    55.00000  124.75400
   69    67    68    80.00000  126.00000
   59    54    55    90.00000  108.55600
   59    54    57    50.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    75.00000  112.20000
   39    33    38    75.00000  112.20000
   39    42    43    65.00000  137.10300
   39    42    49    75.00000  114.40000
   39    44    45    85.00000  113.83300
   39    44    46    85.00000  113.83300
   42    49    50    50.00000  121.48000
   42    49    51    50.00000  121.48000
   49    42    43   105.00000  113.92000
   51    49    50    35.00000  109.00000
   44    39    42    55.00000  124.75400
   46    44    45    80.00000  126.00000
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  -0.25000 -1.0 2.0
   20    24    29    33  -0.01800  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.08500  1.0 1.0
   24    29    33    37  -0.53150 -1.0 2.0
   24    29    33    37   0.48050  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.08500  1.0 1.0
   29    33    37    40  -0.53150 -1.0 2.0
   29    33    37    40   0.48050  1.0 3.0
   29    33   -38    40   0.08500  1.0 1.0
   29    33   -38    40  -0.53150 -1.0 2.0
   29    33   -38    40   0.48050  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    37    40    41   0.00000  1.0 1.0
   33    37   -40    38   0.00000  1.0 1.0
   33    37    40    47   0.01700  1.0 1.0
   33    37    40    47  -0.23550 -1.0 2.0
   33    37    40    47   0.21350  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    49   7.00000 -1.0 2.0
   33    39    44    45   1.68800 -1.0 2.0
   33    39    44    46   1.68800 -1.0 2.0
   37    33   -38    40   0.00000  1.0 1.0
   37    33    39    42   0.42700  1.0 1.0
   37    33    39    42  -0.70350 -1.0 2.0
   37    33    39    42  -0.43150  1.0 3.0
   37    33    39    44   0.09700  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44  -0.50800  1.0 3.0
   37    40   -38    33   0.00000  1.0 1.0
   37    40    47    48   0.30150 -1.0 2.0
   37    40    47    52   0.00000  1.0 1.0
   40    47    52    53   2.45000 -1.0 2.0
   40    47    52    54   1.49850  1.0 1.0
   40    47    52    54   1.53950 -1.0 2.0
   41    40   -38    33   0.00000  1.0 1.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    52   0.00000  1.0 1.0
   38    33   -37    40   0.00000  1.0 1.0
   38    33    39    42   0.42700  1.0 1.0
   38    33    39    42  -0.70350 -1.0 2.0
   38    33    39    42  -0.43150  1.0 3.0
   38    33    39    44   0.09700  1.0 1.0
   38    33    39    44   0.15600 -1.0 2.0
   38    33    39    44  -0.50800  1.0 3.0
   38    40    47    48   0.30150 -1.0 2.0
   38    40    47    52   0.00000  1.0 1.0
   47    40   -38    33   0.01700  1.0 1.0
   47    40   -38    33  -0.23550 -1.0 2.0
   47    40   -38    33   0.21350  1.0 3.0
   47    52    54    55  -0.42300  1.0 1.0
   47    52    54    55  -0.07000 -1.0 2.0
   47    52    54    55   0.04150  1.0 3.0
   47    52    54    57  -0.43950  1.0 1.0
   47    52    54    57  -0.08100 -1.0 2.0
   47    52    54    57   0.03350  1.0 3.0
   47    52    54    59  -2.75650  1.0 1.0
   47    52    54    59  -1.18150 -1.0 2.0
   47    52    54    59   0.81900  1.0 3.0
   48    47    52    53   2.45000 -1.0 2.0
   48    47    52    54   3.04450 -1.0 2.0
   52    54    55    56   0.30150 -1.0 2.0
   52    54    55    60   0.00000  1.0 1.0
   52    54   -57    60   2.20050  1.0 1.0
   52    54   -57    60   0.63450 -1.0 2.0
   52    54   -57    60  -0.91300  1.0 3.0
   52    54    57    76   0.00000  1.0 1.0
   52    54    57    58   0.15000  1.0 3.0
   52    54    59    61  -2.37750  1.0 1.0
   52    54    59    61  -0.08150 -1.0 2.0
   52    54    59    61   0.59000  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    57   0.00000  1.0 1.0
   53    52    54    59   0.00000  1.0 1.0
   54    55    60    65   3.00000 -1.0 2.0
   54    55   -60    57   3.00000 -1.0 2.0
   54    59    61    62   0.37050  1.0 3.0
   54    59    61    63   0.37050  1.0 3.0
   54    59    61    64   0.37050  1.0 3.0
   55    54   -57    60   3.00000 -1.0 2.0
   55    54    57    76   0.00000  1.0 1.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    59    61  -1.11000  1.0 1.0
   55    54    59    61   0.50250 -1.0 2.0
   55    54    59    61   0.47450  1.0 3.0
   55    60    65    66   0.00000  1.0 1.0
   55    60    65    67   0.00000  1.0 1.0
   55    60   -57    54   0.00000  1.0 1.0
   55    60   -57    76   0.00000  1.0 1.0
   55    60   -57    58   0.00000  1.0 1.0
   56    55    60    65   3.00000 -1.0 2.0
   56    55    60    57   3.00000 -1.0 2.0
   60    65    66    70   7.00000 -1.0 2.0
   60    65    66    73   7.00000 -1.0 2.0
   60    65    67    68   1.91650 -1.0 2.0
   60    65    67    69   1.91650 -1.0 2.0
   65    60   -57    54   0.00000  1.0 1.0
   65    60    57    76   0.00000  1.0 1.0
   65    60    57    58   0.00000  1.0 1.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66   -70    76   0.42700  1.0 1.0
   65    66   -70    76  -0.70350 -1.0 2.0
   65    66   -70    76  -0.43150  1.0 3.0
   65    66    73    74   0.00000  1.0 1.0
   65    66    73    75   0.00000  1.0 1.0
   65    66    73    77   0.42700  1.0 1.0
   65    66    73    77  -0.70350 -1.0 2.0
   65    66    73    77  -0.43150  1.0 3.0
   66    65    67    68  -0.04000 -1.0 2.0
   66    65    67    68  -0.29050  1.0 3.0
   66    65    67    69  -0.04000 -1.0 2.0
   66    65    67    69  -0.29050  1.0 3.0
   66    70    76    57  -0.70200  1.0 1.0
   66    70    76    57  -0.14350 -1.0 2.0
   66    70    76    57   0.55200  1.0 3.0
   66    73    77    78   0.00000  1.0 1.0
   70    66    73    74   0.34800  1.0 3.0
   70    66    73    75   0.34800  1.0 3.0
   70    66    73    77   0.30250  1.0 1.0
   70    66    73    77  -0.14950 -1.0 2.0
   70    66    73    77   0.36900  1.0 3.0
   70    76    57    54   0.25150  1.0 1.0
   70    76    57    54  -1.17200 -1.0 2.0
   70    76    57    54   0.53050  1.0 3.0
   70    76   -57    60   0.01700  1.0 1.0
   70    76   -57    60  -0.23550 -1.0 2.0
   70    76   -57    60   0.21350  1.0 3.0
   70    76    57    58   0.00000  1.0 1.0
   71    70    76    57   0.32350  1.0 3.0
   72    70    76    57   0.32350  1.0 3.0
   57    54   -55    56  -0.11250  1.0 1.0
   57    54   -55    56   0.11400 -1.0 2.0
   57    54   -55    56  -0.28950  1.0 3.0
   57    54   -55    60   3.00000 -1.0 2.0
   57    54    59    61   0.06250  1.0 1.0
   57    54    59    61  -0.01100 -1.0 2.0
   57    54    59    61   0.28050  1.0 3.0
   57    60   -65    66   0.00000  1.0 1.0
   57    60    65    67   0.00000  1.0 1.0
   73    66    70    71   0.34800  1.0 3.0
   73    66    70    72   0.34800  1.0 3.0
   73    66    70    76   0.30250  1.0 1.0
   73    66    70    76  -0.14950 -1.0 2.0
   73    66    70    76   0.36900  1.0 3.0
   73    77    78    79   0.63150 -1.0 2.0
   73    77    78    82   0.63150 -1.0 2.0
   74    73    77    78   0.24000  1.0 3.0
   75    73    77    78   0.24000  1.0 3.0
   77    78    79    80   3.62500 -1.0 2.0
   77    78    82    81   3.62500 -1.0 2.0
   77    78    82    83   3.62500 -1.0 2.0
   78    79   -80    81   3.62500 -1.0 2.0
   78    82    83    84   0.00000  1.0 1.0
   78    82    83    85   0.00000  1.0 1.0
   78    82    83    86   0.00000  1.0 1.0
   79    78   -82    81   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    80   -81    82   3.62500 -1.0 2.0
   80    81   -82    78   3.62500 -1.0 2.0
   80    81    82    83   3.62500 -1.0 2.0
   81    82    83    84   0.00000  1.0 1.0
   81    82    83    85   0.00000  1.0 1.0
   81    82    83    86   0.00000  1.0 1.0
   82    78   -79    80   3.62500 -1.0 2.0
   67    65    66    70   7.00000 -1.0 2.0
   67    65    66    73   7.00000 -1.0 2.0
   59    54    55    56   0.30150 -1.0 2.0
   59    54    55    60   0.00000  1.0 1.0
   59    54   -57    60   1.12100  1.0 1.0
   59    54   -57    60  -0.16500 -1.0 2.0
   59    54    57    76   0.00000  1.0 1.0
   59    54    57    58   0.15000  1.0 3.0
   39    33    37    40  -0.70200  1.0 1.0
   39    33    37    40  -0.14350 -1.0 2.0
   39    33    37    40   0.55200  1.0 3.0
   39    33   -38    40  -0.70200  1.0 1.0
   39    33   -38    40  -0.14350 -1.0 2.0
   39    33   -38    40   0.55200  1.0 3.0
   39    42    49    50   1.00000 -1.0 2.0
   39    42    49    51   1.00000 -1.0 2.0
   42    39    44    45  -0.04000 -1.0 2.0
   42    39    44    45  -0.29050  1.0 3.0
   42    39    44    46  -0.04000 -1.0 2.0
   42    39    44    46  -0.29050  1.0 3.0
   43    42    49    50   1.00000 -1.0 2.0
   43    42    49    51   1.00000 -1.0 2.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39    42    49   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    52    47    48  10.50000 -1.0 2.0
   53    47    52    54   1.00000 -1.0 2.0
   54    60    55    56  10.50000 -1.0 2.0
   57    55    60    65   1.00000 -1.0 2.0
   60    67    65    66   1.10000 -1.0 2.0
   70    73    66    65   1.10000 -1.0 2.0
   79    82    78    77   4.00000 -1.0 2.0
   81    83    82    78   4.00000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
   33    44    39    42  15.00000 -1.0 2.0
   49    43    42    39  15.00000 -1.0 2.0
   51    42    49    50   1.00000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
