* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    238     430
    1     0 S   NP   _N1_     1    28.03521    95.31592   -24.07600
    2     1 S   H    _HN1     2     1.02836    25.25120   150.77544
    3     1 S   H    _H1_     3     1.02778   104.76584  -108.51168
    4     1 S   H    _H2_     4     1.02958    84.87440    -0.87492
    5     1 S   CT   _CA1     5     1.50125   131.75568   112.01433
    6     5 S   HC   _HA1     6     1.09576   105.21716    75.76935
    7     5 S   CO3  _C1_     7     1.53788   112.38716   -44.42015
    8     7 S   O2Z  _O11     8     1.26363   114.99845   -43.58772
    9     7 S   O2Z  _O12     9     1.26238   114.93683   135.54315
   10     5 S   CT   _CB1    10     1.53101   107.42001  -166.32191
   11    10 S   HC   HB11    11     1.09826   109.32834   -50.60982
   12    10 S   HC   HB12    12     1.09817   110.42892    65.95027
   13    10 S   CT   _CG1    13     1.53006   112.66242  -171.69038
   14    13 S   HC   HG11    14     1.09599   110.47709   -64.38952
   15    13 S   HC   HG12    15     1.09657   109.92737    54.79899
   16    13 S   C    _CD1    16     1.51839   112.35287   175.16608
   17    16 S   O    _OE1    17     1.22742   123.30815    -0.29342
   18    16 S   N    _N2_    18     1.38524   111.64789   179.71607
   19    18 S   H    _HN2    19     1.01566   119.03905     4.48655
   20    18 S   CT1  _CA2    20     1.45903   123.01856   178.11550
   21    20 S   HC   _HA2    21     1.09720   108.99750    23.28392
   22    20 S   C    _C2_    22     1.52892   106.82703   -93.84389
   23    22 S   O    _O2_    23     1.22998   122.98100   -28.18474
   24    20 S   CT   _CB2    32     1.53202   111.95912   146.49659
   25    24 S   HC   HB21    33     1.09468   109.66754    54.55015
   26    24 S   HC   HB22    34     1.09458   110.08821   173.19770
   27    22 S   N    _N3_    24     1.38489   112.66373   154.39096
   28    27 S   H    _HN3    25     1.01663   120.37635    -1.29377
   29    24 S   S    _SG2    35     1.82919   110.64888   -66.90207
   30    27 S   CT   _CA3    26     1.45357   122.37757   178.74711
   31    30 S   HC   HA31    27     1.09568   107.58527   -60.60743
   32    30 S   HC   HA32    28     1.09570   107.79937    55.67853
   33    29 S   CT   _C19    36     1.90232   101.01942   164.14453
   34    30 S   CO3  _C3_    29     1.52872   114.44995   177.61755
   35    34 S   O2Z  _O31    30     1.26319   116.11046    -0.66529
   36    34 S   O2Z  _O32    31     1.26457   114.38651   179.37976
   37    33 S   CO4  _C20    37     1.55608   108.19720   176.31029
   38    37 S   O    _O34    38     1.23638   121.07282    11.80220
   39    33 S   CT   _C18    71     1.55806   111.21533    53.72490
   40    39 S   OM   _O38    72     1.32455   112.71957    56.98920
   41    39 S   HC   _H4_    73     1.10042   107.03582   -76.00178
   42    33 S   C    _C23    74     1.55473   104.65571   -66.61034
   43    42 S   O    _O37    75     1.22992   123.65237   119.70522
   44    37 S   CT   _C21    39     1.55343   116.45879  -174.44649
   45    44 S   OM   _O36    40     1.32505   107.90399   166.29753
   46    42 S   N    _N4_    76     1.37815   114.83961   -60.63484
   47    46 S   H    _H13    77     1.01523   122.01781    -0.04423
   48    46 S   H    _H14    78     1.01349   120.65808  -179.33119
   49    44 S   CO4  _C22    41     1.53560   110.66020   -80.46802
   50    49 S   O    _O35    42     1.23342   121.27194   -44.91774
   51    49 S   CA   _C13    43     1.50051   120.25389   134.65023
   52    51 S   CA   _C14    44     1.40110   119.74798    16.79991
   53    51 S   CA   _C12    55     1.40972   120.66297  -164.28274
   54    52 S   CA   _C5_    45     1.41993   119.41190   174.15977
   55    53 S   OH   _O39    56     1.37726   120.49153     2.33439
   56    55 S   HO   _H15    57     0.97256   109.63283    -5.16179
   57    52 S   CT   _C15    64     1.51230   119.70331    -4.38383
   58    57 S   HC   _H11    65     1.09719   108.28357    91.70781
   59    57 S   HC   _H12    66     1.09581   110.71402  -151.49748
   60    54 S   CA   _C6_    46     1.43055   120.62914     7.45180
   61    54 S   CT   _C4_    60     1.51698   119.51470  -174.21494
   62    61 S   HC   _H5_    61     1.09404   110.10308   -94.31386
   63    61 S   HC   _H6_    62     1.09390   112.21618    27.51648
   64    61 S   HC   _H7_    63     1.09431   111.54416   143.68640
   65    44 S   CT   _C16    67     1.53448   112.34210    46.83281
   66    65 S   HC   _H3_    68     1.10248   110.26276    73.96601
   67    60 S   CA   _C7_    47     1.41861   122.14717   174.21650
   68    67 S   HA   _H8_    48     1.08760   121.06108    -1.46514
   69    65 S   CO4  _C17    69     1.54154   112.81626   -41.85208
   70    69 S   O    _O33    70     1.23580   121.55000  -136.03945
   71    67 S   CA   _C8_    49     1.39358   122.73465   179.47848
   72    71 S   HA   _H9_    50     1.08597   120.08345   180.00000
   73    71 S   CA   _C9_    51     1.38083   119.59283     0.18452
   74    73 S   HA   _H10    52     1.08596   119.45629  -179.94405
   75    73 S   CA   _C10    53     1.39556   119.30677     0.41590
   76    60 S   CA   _C11    54     1.42022   119.85531    -5.31006
   77    75 S   OH   _O40    58     1.37463   117.26835   179.61845
   78    77 S   HO   _H16    59     0.97157   109.39034     0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  16   2   1   1  16   6  11   5   4   6   3  13   7   2   1   1
  11   4  13  16  10  14   4   1   8   4   3  12   5   2   1   1
   3   2   7   4   1   1   6   3   5   3   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    69    39    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    49    65    69    70    39    40    41    42    43    46    47    48  
   35    36  
   36  
    0  
   38    44    45    49    50    51    57    65    66    69    39    40    41    42    43    46  
   44    45    49    65    39    42  
   40    41    42    43    46    44    57    65    66    69    70  
   41    42    65    69    70  
   42    65    69    70  
   43    46    47    48    44    69  
   46    47    48  
   45    49    50    51    52    53    57    58    59    65    66    69    70  
   49    50    51    57    65    66    69  
   47    48  
   48  
    0  
   50    51    52    54    76    53    55    57    65    66    69  
   51    52    53    65  
   52    54    60    75    76    53    55    56    61    57    58    59    65  
   54    60    67    76    53    55    61    62    63    64    57    58    59    65    66    69  
   55    56    77    57    54    60    67    73    75    76  
   60    67    68    71    75    76    61    62    63    64    57    58    59    65  
   56    60    75    76  
   76  
   58    59    65    66    69    70    60    61  
   59    65    66    69  
   65    66    69  
   67    68    71    72    73    75    76    77    61    62    63    64  
   62    63    64    67    76  
   63    64  
   64  
    0  
   66    69    70  
   69    70  
   68    71    72    73    74    75    76  
   71    72    73    76  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    45   570.000  1.307
   44    49   317.000  1.522
   44    65   268.000  1.529
   49    50   570.000  1.229
   49    51   310.000  1.470
   51    52   469.000  1.400
   51    53   469.000  1.400
   52    54   469.000  1.400
   52    57   317.000  1.510
   54    60   469.000  1.400
   54    61   317.000  1.510
   60    67   469.000  1.400
   60    76   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    53   469.000  1.400
   53    55   450.000  1.364
   55    56   553.000  0.945
   77    78   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    69   317.000  1.522
   69    70   570.000  1.229
   69    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    69    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    46    70.00000  116.60000
   37    44    45    90.00000  108.74100
   37    44    49    75.00000  107.99600
   37    44    65    63.00000  111.10000
   44    37    38    80.00000  120.40000
   44    49    50    80.00000  120.40000
   44    49    51    65.00000  115.47100
   44    65    57    58.35000  112.70000
   44    65    66    37.50000  110.70000
   44    65    69    63.00000  111.10000
   49    44    45    90.00000  108.74100
   49    51    52    60.00000  119.52600
   49    51    53    60.00000  119.52600
   51    49    50    75.00000  123.78400
   51    52    54    63.00000  120.00000
   51    52    57    70.00000  120.00000
   51    53    76    63.00000  120.00000
   51    53    55    70.00000  120.00000
   52    54    60    63.00000  120.00000
   52    54    61    70.00000  120.00000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    65    70.00000  112.17500
   54    60    67    63.00000  120.00000
   54    60    76    63.00000  120.00000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   60    67    68    35.00000  120.00000
   60    67    71    63.00000  120.00000
   60    76    75    63.00000  120.00000
   60    76    53    63.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    53    63.00000  120.00000
   75    77    78    35.00000  113.00000
   76    60    67    63.00000  120.00000
   76    53    55    70.00000  120.00000
   53    51    52    63.00000  120.00000
   53    55    56    35.00000  113.00000
   77    75    76    70.00000  120.00000
   61    54    60    70.00000  120.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    52    54    70.00000  120.00000
   57    65    66    37.50000  110.70000
   57    65    69    63.00000  111.10000
   59    57    58    33.00000  107.80000
   65    44    45    50.00000  109.50000
   65    44    49    63.00000  111.10000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    69    70    80.00000  120.40000
   65    69    39    70.00000  116.00000
   69    65    66    35.00000  109.50000
   69    39    40    90.00000  108.74100
   69    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    69    70    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    46    47    35.00000  119.80000
   42    46    48    35.00000  119.80000
   46    42    43    80.00000  122.90000
   48    46    47    35.00000  120.00000
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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    46   0.00000  1.0 1.0
   33    37    44    45   0.55300  1.0 1.0
   33    37    44    45   1.25850 -1.0 2.0
   33    37    44    45  -0.23600  1.0 3.0
   33    37    44    49   0.65300  1.0 1.0
   33    37    44    49  -0.03850 -1.0 2.0
   33    37    44    49   0.33900  1.0 3.0
   33    37    44    65   0.60050  1.0 1.0
   33    37    44    65   0.05600 -1.0 2.0
   33    37    44    65   0.26150  1.0 3.0
   33    42    46    47   2.45000 -1.0 2.0
   33    42    46    48   2.45000 -1.0 2.0
   37    33    39    69   0.11950  1.0 1.0
   37    33    39    69   0.20300 -1.0 2.0
   37    33    39    69  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    46   0.00000  1.0 1.0
   37    44    49    50   0.30150 -1.0 2.0
   37    44    49    51   0.65300  1.0 1.0
   37    44    49    51  -0.03850 -1.0 2.0
   37    44    49    51   0.33900  1.0 3.0
   37    44    65    57  -0.95700  1.0 1.0
   37    44    65    57  -0.18200 -1.0 2.0
   37    44    65    57   0.29450  1.0 3.0
   37    44    65    66  -0.11250  1.0 3.0
   37    44   -65    69   0.11950  1.0 1.0
   37    44   -65    69   0.20300 -1.0 2.0
   37    44   -65    69  -0.70800  1.0 3.0
   38    37    44    45   0.30150 -1.0 2.0
   38    37    44    49   0.30150 -1.0 2.0
   38    37    44    65   0.30150 -1.0 2.0
   44    49    51    52   2.26350  1.0 1.0
   44    49    51    52   0.76750 -1.0 2.0
   44    49    51    52   0.22500  1.0 3.0
   44    49    51    53   2.26350  1.0 1.0
   44    49    51    53   0.76750 -1.0 2.0
   44    49    51    53   0.22500  1.0 3.0
   44    65    69    70   0.30150 -1.0 2.0
   44    65    69    39   0.60050  1.0 1.0
   44    65    69    39   0.05600 -1.0 2.0
   44    65    69    39   0.26150  1.0 3.0
   45    44    49    50   0.30150 -1.0 2.0
   45    44    49    51   0.65300  1.0 1.0
   45    44    49    51  -0.03850 -1.0 2.0
   45    44    49    51   0.33900  1.0 3.0
   45    44    65    57   0.62750  1.0 1.0
   45    44    65    57  -0.30950 -1.0 2.0
   45    44    65    57   0.27300  1.0 3.0
   45    44    65    66   0.23400  1.0 3.0
   45    44    65    69  -0.09450  1.0 1.0
   45    44    65    69  -1.12950 -1.0 2.0
   45    44    65    69   0.54000  1.0 3.0
   49    44    65    57  -0.95700  1.0 1.0
   49    44    65    57  -0.18200 -1.0 2.0
   49    44    65    57   0.29450  1.0 3.0
   49    44    65    66  -0.11250  1.0 3.0
   49    44    65    69   0.11950  1.0 1.0
   49    44    65    69   0.20300 -1.0 2.0
   49    44    65    69  -0.70800  1.0 3.0
   49    51    52    54   3.62500 -1.0 2.0
   49    51   -52    57   3.62500 -1.0 2.0
   49    51    53    76   3.62500 -1.0 2.0
   49    51    53    55   3.62500 -1.0 2.0
   50    49    51    52   1.05000 -1.0 2.0
   50    49    51    53   1.05000 -1.0 2.0
   51    52    54    60   3.62500 -1.0 2.0
   51    52    54    61   3.62500 -1.0 2.0
   51    52    57    58   0.00000  1.0 1.0
   51    52    57    59   0.00000  1.0 1.0
   51    52    57    65   0.04150 -1.0 2.0
   51    53    55    56   0.84100 -1.0 2.0
   52    51    53    76   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   52    54    60    67   3.62500 -1.0 2.0
   52    54   -60    76   3.62500 -1.0 2.0
   52    54    61    62   0.00000  1.0 1.0
   52    54    61    63   0.00000  1.0 1.0
   52    54    61    64   0.00000  1.0 1.0
   52    57   -65    44  -0.03700  1.0 1.0
   52    57   -65    44   0.37200 -1.0 2.0
   52    57   -65    44  -0.47300  1.0 3.0
   52    57    65    66   0.43200  1.0 3.0
   52    57    65    69   0.56750  1.0 1.0
   52    57    65    69  -0.07550 -1.0 2.0
   52    57    65    69   0.20000  1.0 3.0
   54    52    57    58   0.00000  1.0 1.0
   54    52    57    59   0.00000  1.0 1.0
   54    52    57    65   0.04150 -1.0 2.0
   54    60    67    68   3.62500 -1.0 2.0
   54    60    67    71   3.62500 -1.0 2.0
   54    60    76    75   3.62500 -1.0 2.0
   54    60    76    53   3.62500 -1.0 2.0
   60    54    61    62   0.00000  1.0 1.0
   60    54    61    63   0.00000  1.0 1.0
   60    54    61    64   0.00000  1.0 1.0
   60    67    71    72   3.62500 -1.0 2.0
   60    67    71    73   3.62500 -1.0 2.0
   60    76   -53    51   3.62500 -1.0 2.0
   60    76    53    55   3.62500 -1.0 2.0
   67    60    76    75   3.62500 -1.0 2.0
   67    60    76    53   3.62500 -1.0 2.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71   -73    75   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -76    60   3.62500 -1.0 2.0
   73    75    76    53   3.62500 -1.0 2.0
   73    75    77    78   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76    53    51   3.62500 -1.0 2.0
   75    76    53    55   3.62500 -1.0 2.0
   76    60    67    68   3.62500 -1.0 2.0
   76    60   -67    71   3.62500 -1.0 2.0
   76    75    77    78   0.84100 -1.0 2.0
   76    53    55    56   0.84100 -1.0 2.0
   53    51   -52    54   3.62500 -1.0 2.0
   53    51    52    57   3.62500 -1.0 2.0
   77    75    76    60   3.62500 -1.0 2.0
   77    75    76    53   3.62500 -1.0 2.0
   61    54    60    67   3.62500 -1.0 2.0
   61    54    60    76   3.62500 -1.0 2.0
   57    52    54    60   3.62500 -1.0 2.0
   57    52    54    61   3.62500 -1.0 2.0
   57    65    69    70   0.30150 -1.0 2.0
   57    65    69    39   0.60050  1.0 1.0
   57    65    69    39   0.05600 -1.0 2.0
   57    65    69    39   0.26150  1.0 3.0
   58    57    65    44   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    69  -0.11250  1.0 3.0
   59    57    65    44   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    69  -0.11250  1.0 3.0
   65    44    49    50   0.30150 -1.0 2.0
   65    44   -49    51   0.05850 -1.0 2.0
   65    44   -49    51   0.17250  1.0 3.0
   65    69   -39    33   0.60050  1.0 1.0
   65    69   -39    33   0.05600 -1.0 2.0
   65    69   -39    33   0.26150  1.0 3.0
   65    69    39    40   0.55300  1.0 1.0
   65    69    39    40   1.25850 -1.0 2.0
   65    69    39    40  -0.23600  1.0 3.0
   65    69    39    41   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    39   0.00000  1.0 1.0
   70    69    39    33   0.30150 -1.0 2.0
   70    69    39    40   0.30150 -1.0 2.0
   70    69    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    46   1.39750  1.0 1.0
   39    33    42    46  -0.07950 -1.0 2.0
   39    33    42    46  -0.18750  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    69   0.11950  1.0 1.0
   42    33    39    69   0.20300 -1.0 2.0
   42    33    39    69  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    48   2.45000 -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
   33    44    37    38  10.50000 -1.0 2.0
   44    51    49    50  10.50000 -1.0 2.0
   52    53    51    49   4.00000 -1.0 2.0
   54    57    52    51   4.00000 -1.0 2.0
   60    61    54    52   4.00000 -1.0 2.0
   67    76    60    54   4.00000 -1.0 2.0
   71    68    67    60   1.10000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   75    53    76    60   4.00000 -1.0 2.0
   76    55    53    51   4.00000 -1.0 2.0
   65    39    69    70  10.50000 -1.0 2.0
   33    46    42    43  10.50000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
