* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    146    214     419
    1     0 S   NP   _N1_     1    29.56473    96.57926   -22.73526
    2     1 S   H    _HN1     2     1.02851    75.08875    25.28799
    3     1 S   H    _H1_     3     1.02958    41.17874   165.88251
    4     1 S   H    _H2_     4     1.02787    94.76465   -82.37037
    5     1 S   CT   _CA1     5     1.50536   147.39192   131.59542
    6     5 S   HC   _HA1     6     1.09699   104.61024    86.74844
    7     5 S   CO3  _C1_     7     1.54475   110.81846   -28.98517
    8     7 S   O2Z  _O11     8     1.26017   116.77870  -119.64265
    9     7 S   O2Z  _O12     9     1.26590   113.73805    59.10269
   10     5 S   CT   _CB1    10     1.53152   106.96414  -157.20614
   11    10 S   HC   HB11    11     1.09826   110.03707   -41.94292
   12    10 S   HC   HB12    12     1.09772   110.27543    74.86015
   13    10 S   CT   _CG1    13     1.52913   112.11000  -162.49572
   14    13 S   HC   HG11    14     1.09455   110.62664   -56.23428
   15    13 S   HC   HG12    15     1.09568   109.69039    62.83377
   16    13 S   C    _CD1    16     1.51689   112.51549  -177.32760
   17    16 S   O    _OE1    17     1.22732   123.25036   -10.70278
   18    16 S   N    _N2_    18     1.38585   111.57182   169.79251
   19    18 S   H    _HN2    19     1.01546   118.95307     2.02168
   20    18 S   CT1  _CA2    20     1.46029   123.62402  -177.75921
   21    20 S   HC   _HA2    21     1.09695   109.13433   -15.55649
   22    20 S   C    _C2_    22     1.53499   109.02004  -131.83267
   23    22 S   O    _O2_    23     1.23101   121.99117  -154.90918
   24    20 S   CT   _CB2    32     1.53641   111.70510   106.49876
   25    24 S   HC   HB21    33     1.09548   109.64399    60.62545
   26    24 S   HC   HB22    34     1.09528   110.19283   179.23664
   27    22 S   N    _N3_    24     1.38310   114.09767    31.93965
   28    27 S   H    _HN3    25     1.01645   119.55073    -3.53590
   29    24 S   S    _SG2    35     1.82380   112.47990   -60.13839
   30    27 S   CT   _CA3    26     1.45306   122.81325   177.91569
   31    30 S   HC   HA31    27     1.09560   107.42960   -64.71653
   32    30 S   HC   HA32    28     1.09571   107.94282    51.58884
   33    29 S   CT   _C19    36     1.83193    99.23078   178.78003
   34    33 S   F    F1__    37     1.36498   109.35723   -42.47149
   35    33 S   F    F2__    38     1.36655   107.83482    70.66674
   36    30 S   CO3  _C3_    29     1.52850   114.46930   173.48889
   37    36 S   O2Z  _O31    30     1.26350   116.16621    -4.47063
   38    36 S   O2Z  _O32    31     1.26432   114.42144   175.71682
   39    33 S   CA   _C18    39     1.51606   109.92640  -166.56818
   40    39 S   CA   _C17    40     1.40540   118.98313   -94.48324
   41    40 S   HA   _H20    41     1.08763   119.64021    -1.20171
   42    40 S   CA   _C16    42     1.39444   120.12314   178.01920
   43    42 S   CA   _C15    43     1.39101   120.79551     0.53595
   44    43 S   HA   _H19    44     1.08617   121.50834   179.71538
   45    42 S   SY   _S1_    78     1.76700   119.28335   178.92498
   46    45 S   OY   _O35    79     1.44891   108.04278  -162.48683
   47    45 S   OY   _O36    80     1.44885   107.63426   -30.24578
   48    43 S   CA   _C14    45     1.39610   119.50138    -0.71682
   49    48 S   HA   _H18    46     1.08576   117.52640  -179.59944
   50    45 S   NS   _N8_    81     1.70025   100.56834    83.75296
   51    50 S   H    _H21    82     1.02605   116.65808  -110.31759
   52    50 S   H    _H22    83     1.02601   116.63921   110.23337
   53    39 S   CA   _C13    47     1.41195   121.75103    83.52702
   54    53 S   OS   _O34    48     1.37085   115.96766     1.87972
   55    54 S   CT   _C12    49     1.42624   118.12999  -174.88212
   56    55 S   HC   _H16    50     1.09650   110.18740    61.01483
   57    55 S   HC   _H17    51     1.09624   110.13260   -60.35587
   58    55 S   CT   _C11    52     1.52617   108.67466  -178.69104
   59    58 S   HC   _H14    53     1.09746   109.66198    60.24417
   60    58 S   HC   _H15    54     1.09656   109.77139   176.76015
   61    58 S   CT   _C10    55     1.52724   112.90014   -60.67339
   62    61 S   HC   _H12    56     1.09631   110.09673    61.20329
   63    61 S   HC   _H13    57     1.09615   109.74580   -58.66992
   64    61 S   OS   _O33    58     1.43655   107.51836  -178.57179
   65    64 S   CA   _C7_    59     1.36593   110.61835   179.08016
   66    65 S   CA   _C6_    60     1.38671   121.08287   -97.48107
   67    66 S   NB   _N5_    61     1.35232   121.69194  -179.21217
   68    66 S   CT   _C5_    71     1.50579   122.25189    -0.88713
   69    68 S   HC   _H6_    72     1.09515   110.49935    42.42363
   70    68 S   HC   _H7_    73     1.09670   109.05718   158.77763
   71    67 S   CQ   _C9_    62     1.34821   117.64353    -0.07402
   72    68 S   CT   _C4_    74     1.52103   111.80373   -80.74795
   73    72 S   HC   _H3_    75     1.09537   111.15159   -58.54476
   74    72 S   HC   _H4_    76     1.09459   110.19729  -178.34495
   75    72 S   HC   _H5_    77     1.09503   111.47781    61.79258
   76    71 S   NB   _N4_    63     1.34937   123.76745     1.76547
   77    71 S   NE   _N6_    68     1.38077   118.07274  -177.17603
   78    77 S   H    _H8_    69     1.00881   119.76578     0.50202
   79    77 S   H    _H9_    70     1.01377   119.42034   174.22542
   80    65 S   CA   _C8_    64     1.38794   121.39745    86.72619
   81    80 S   NE   _N7_    65     1.39043   120.78777    -2.63463
   82    81 S   H    _H10    66     1.01215   118.47676    28.62441
   83    81 S   H    _H11    67     1.01228   117.09051  -179.81655
  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   6   5   4   3
   9   4   3   2   1   1  10  11   4  11   9   4   6   4   3   4
   2   2   1   1   5   7   9   5   4   7   5   4   6   3   2   7
  12  13  10   8   5   4   6   3   2   1   1   7   3   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    53  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    48    53    54  
   35    39    40    53  
   39    40    53  
   37    38  
   38  
    0  
   40    41    42    43    48    49    53    54    55    45  
   41    42    43    44    48    53    54    45    46    47    50  
   42    43    53    45  
   43    44    48    49    53    45    46    47    50    51    52  
   44    48    49    53    54    45    46    47    50  
   48    49    53    45  
   46    47    50    51    52    48  
   47    50    51    52  
   50    51    52  
   49    53    54    55  
   53    54  
   51    52  
   52  
    0  
   54    55    56    57    58  
   55    56    57    58    59    60    61  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    80  
   63    64    65  
   64    65  
   65    66    67    76    80    81    68  
   66    67    71    76    80    81    82    83    68    69    70    72  
   67    71    76    80    81    77    68    69    70    72    73    74    75  
   71    76    80    77    78    79    68    69    70    72  
   69    70    72    73    74    75    71    80  
   70    72    73    74    75  
   72    73    74    75  
   76    80    81    77    78    79  
   73    74    75  
   74    75  
   75  
    0  
   80    81    82    83    77    78    79  
   78    79    80  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   46   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.2500   0.1700  -0.767800   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.140000   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   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.392000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.549000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   1.042000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   77   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   82   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    53   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    45   225.000  1.779
   43    44   367.000  1.080
   43    48   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   450.000  1.364
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   320.000  1.410
   64    65   450.000  1.364
   65    66   469.000  1.400
   65    80   469.000  1.400
   66    67   483.000  1.339
   66    68   317.000  1.510
   67    71   502.000  1.324
   71    76   502.000  1.324
   71    77   410.000  1.375
   76    80   483.000  1.339
   80    81   481.000  1.340
   81    82   434.000  1.010
   81    83   434.000  1.010
   77    78   434.000  1.010
   77    79   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   45    46   735.000  1.471
   45    47   735.000  1.471
   45    50   245.000  1.722
   50    51   500.000  1.020
   50    52   500.000  1.020
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    53    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    53    48    63.00000  120.00000
   39    53    54    70.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    45    65.00000  117.06700
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    48    63.00000  120.00000
   42    45    46   100.00000  107.67100
   42    45    47   100.00000  107.67100
   42    45    50    95.00000  101.59200
   43    48    49    35.00000  120.00000
   43    48    53    63.00000  120.00000
   48    43    44    35.00000  120.00000
   48    53    54    70.00000  120.00000
   53    39    40    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    54    55    75.00000  111.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    50.00000  109.50000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    75.00000  111.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    70.00000  120.00000
   64    65    80    70.00000  120.00000
   65    66    67    70.00000  124.00000
   65    66    68    70.00000  120.00000
   65    80    76    70.00000  124.00000
   65    80    81    70.00000  120.10000
   66    67    71    70.00000  118.60000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    72    70.00000  112.17500
   67    71    76    70.00000  129.10000
   67    71    77    85.00000  116.09700
   71    76    80    70.00000  118.60000
   71    77    78    50.00000  113.31100
   71    77    79    50.00000  113.31100
   76    80    81    80.00000  117.25000
   80    65    66    63.00000  120.00000
   80    81    82    35.00000  113.50000
   80    81    83    35.00000  113.50000
   83    81    82    35.00000  109.00000
   77    71    76    85.00000  116.09700
   79    77    78    35.00000  109.00000
   68    66    67    75.00000  115.74700
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    37.50000  110.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   45    42    43    65.00000  117.06700
   45    50    51    50.00000  110.93800
   45    50    52    50.00000  110.93800
   47    45    46   115.00000  120.17200
   50    45    46   115.00000  107.22500
   50    45    47   115.00000  107.22500
   52    50    51    35.00000  109.80100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    53  -0.16000  1.0 1.0
   29    33    39    53  -0.03200 -1.0 2.0
   29    33    39    53   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    53    48   3.62500 -1.0 2.0
   33    39    53    54   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    53   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    53   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    45   3.62500 -1.0 2.0
   39    53    54    55   1.63200 -1.0 2.0
   40    39    53    48   3.62500 -1.0 2.0
   40    39    53    54   3.62500 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42   -43    48   3.62500 -1.0 2.0
   40    42    45    46   0.19500  1.0 1.0
   40    42    45    46   0.12000 -1.0 2.0
   40    42    45    47   0.19500  1.0 1.0
   40    42    45    47   0.12000 -1.0 2.0
   40    42    45    50  -0.49050  1.0 1.0
   40    42    45    50   0.22250 -1.0 2.0
   40    42    45    50  -0.39350  1.0 3.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   42    43    48    49   3.62500 -1.0 2.0
   42    43    48    53   3.62500 -1.0 2.0
   42    45    50    51   1.01100  1.0 1.0
   42    45    50    51  -0.22250 -1.0 2.0
   42    45    50    51   1.33750  1.0 3.0
   42    45    50    52   1.01100  1.0 1.0
   42    45    50    52  -0.22250 -1.0 2.0
   42    45    50    52   1.33750  1.0 3.0
   43    42    45    46   0.19500  1.0 1.0
   43    42    45    46   0.12000 -1.0 2.0
   43    42    45    47   0.19500  1.0 1.0
   43    42    45    47   0.12000 -1.0 2.0
   43    42    45    50  -0.49050  1.0 1.0
   43    42    45    50   0.22250 -1.0 2.0
   43    42    45    50  -0.39350  1.0 3.0
   43    48   -53    39   3.62500 -1.0 2.0
   43    48    53    54   3.62500 -1.0 2.0
   44    43    48    49   3.62500 -1.0 2.0
   44    43    48    53   3.62500 -1.0 2.0
   48    53    54    55   1.63200 -1.0 2.0
   49    48    53    39   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   53    39    40    41   3.62500 -1.0 2.0
   53    39   -40    42   3.62500 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57   0.08050  1.0 3.0
   53    54    55    58  -0.32850  1.0 1.0
   53    54    55    58  -0.35800 -1.0 2.0
   53    54    55    58   0.33950  1.0 3.0
   54    55    58    59   0.23400  1.0 3.0
   54    55    58    60   0.23400  1.0 3.0
   54    55    58    61   0.62750  1.0 1.0
   54    55    58    61  -0.30950 -1.0 2.0
   54    55    58    61   0.27300  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    64   0.62750  1.0 1.0
   55    58    61    64  -0.30950 -1.0 2.0
   55    58    61    64   0.27300  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    64    65  -0.32850  1.0 1.0
   58    61    64    65  -0.35800 -1.0 2.0
   58    61    64    65   0.33950  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.23400  1.0 3.0
   61    64    65    66   1.63200 -1.0 2.0
   61    64    65    80   1.63200 -1.0 2.0
   62    61    64    65   0.08050  1.0 3.0
   63    61    64    65   0.08050  1.0 3.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    68   3.62500 -1.0 2.0
   64    65    80    76   3.62500 -1.0 2.0
   64    65    80    81   3.62500 -1.0 2.0
   65    66    67    71   3.62500 -1.0 2.0
   65    66    68    69   0.00000  1.0 1.0
   65    66    68    70   0.00000  1.0 1.0
   65    66    68    72   0.04150 -1.0 2.0
   65    80    81    82   1.00000 -1.0 2.0
   65    80    81    83   1.00000 -1.0 2.0
   66    65    80    76   3.62500 -1.0 2.0
   66    65    80    81   3.62500 -1.0 2.0
   66    67   -71    76   3.62500 -1.0 2.0
   66    67    71    77   3.62500 -1.0 2.0
   66    68    72    73   0.43200  1.0 3.0
   66    68    72    74   0.43200  1.0 3.0
   66    68    72    75   0.43200  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    72   0.29300  1.0 1.0
   67    66    68    72  -1.19700 -1.0 2.0
   67    66    68    72   0.60900  1.0 3.0
   67    71    76    80   3.62500 -1.0 2.0
   67    71    77    78   1.75000 -1.0 2.0
   67    71    77    79   1.75000 -1.0 2.0
   71    76   -80    65   3.62500 -1.0 2.0
   71    76    80    81   3.62500 -1.0 2.0
   76    71    77    78   1.75000 -1.0 2.0
   76    71    77    79   1.75000 -1.0 2.0
   76    80    81    82   1.75000 -1.0 2.0
   76    80    81    83   1.75000 -1.0 2.0
   80    65   -66    67   3.62500 -1.0 2.0
   80    65    66    68   3.62500 -1.0 2.0
   77    71    76    80   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    75   0.15000  1.0 3.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    48   3.62500 -1.0 2.0
   46    45    50    51   1.12100  1.0 1.0
   46    45    50    51   0.54800 -1.0 2.0
   46    45    50    51  -0.29400  1.0 3.0
   46    45    50    52   1.12100  1.0 1.0
   46    45    50    52   0.54800 -1.0 2.0
   46    45    50    52  -0.29400  1.0 3.0
   47    45    50    51   1.12100  1.0 1.0
   47    45    50    51   0.54800 -1.0 2.0
   47    45    50    51  -0.29400  1.0 3.0
   47    45    50    52   1.12100  1.0 1.0
   47    45    50    52   0.54800 -1.0 2.0
   47    45    50    52  -0.29400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    53    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   53    49    48    43   1.10000 -1.0 2.0
   48    54    53    39   4.00000 -1.0 2.0
   66    80    65    64   4.00000 -1.0 2.0
   68    67    66    65   4.00000 -1.0 2.0
   76    77    71    67   4.00000 -1.0 2.0
   76    81    80    65   4.00000 -1.0 2.0
   83    80    81    82   1.00000 -1.0 2.0
   79    71    77    78   1.00000 -1.0 2.0
   52    45    50    51   1.00000 -1.0 2.0
END
