* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    163    241     477
    1     0 S   NP   _N1_     1    30.96760    93.21969   -13.53234
    2     1 S   H    _HN1     2     1.02781   118.53563    -6.10897
    3     1 S   H    _H1_     3     1.03170   128.69552   145.39966
    4     1 S   H    _H2_     4     1.03145    39.93883    77.55402
    5     1 S   CT   _CA1     5     1.50238    71.45580  -111.91319
    6     5 S   HC   _HA1     6     1.09634   105.11543    51.26957
    7     5 S   CO3  _C1_     7     1.53772   112.10720   -67.76854
    8     7 S   O2Z  _O11     8     1.26226   115.47673   -64.92243
    9     7 S   O2Z  _O12     9     1.26311   114.88459   113.57807
   10     5 S   CT   _CB1    10     1.52993   107.05915   167.64382
   11    10 S   HC   HB11    11     1.09842   108.93020   -60.49100
   12    10 S   HC   HB12    12     1.09438   109.89265    55.18716
   13    10 S   CT   _CG1    13     1.53064   113.48819   177.48643
   14    13 S   HC   HG11    14     1.09577   110.91660   -76.79586
   15    13 S   HC   HG12    15     1.09642   110.12901    42.32811
   16    13 S   C    _CD1    16     1.51698   111.99277   161.97444
   17    16 S   O    _OE1    17     1.22935   121.35364  -122.16320
   18    16 S   N    _N2_    18     1.38323   113.65136    58.31455
   19    18 S   H    _HN2    19     1.01597   119.30651     2.67745
   20    18 S   CT1  _CA2    20     1.46140   122.69454  -176.94719
   21    20 S   HC   _HA2    21     1.09727   108.62016    20.30997
   22    20 S   C    _C2_    22     1.53007   110.08157   -96.45015
   23    22 S   O    _O2_    23     1.23165   120.74334   152.83625
   24    20 S   CT   _CB2    32     1.53419   111.72454   142.32546
   25    24 S   HC   HB21    33     1.09027   109.33816    61.45366
   26    24 S   HC   HB22    34     1.09495   109.96728   179.51342
   27    22 S   N    _N3_    24     1.38370   114.64343   -35.09203
   28    27 S   H    _HN3    25     1.01483   119.37528     8.94415
   29    24 S   S    _SG2    35     1.82801   110.78514   -60.25298
   30    27 S   CT   _CA3    26     1.45408   123.14409  -176.91879
   31    30 S   HC   HA31    27     1.09536   108.94508    30.73056
   32    30 S   HC   HA32    28     1.09472   107.19884   147.64265
   33    29 S   CT   _C21    36     1.86876   101.73396   163.69679
   34    33 S   OM   _O39    37     1.32340   107.85845  -179.85735
   35    30 S   CO3  _C3_    29     1.52921   113.54745   -92.55321
   36    35 S   O2Z  _O31    30     1.26358   115.66948   -40.31366
   37    35 S   O2Z  _O32    31     1.26411   114.82864   140.73585
   38    33 S   CM   _C22    38     1.53704   106.08036    67.40241
   39    38 S   HC   _H21    39     1.09634   112.02265    59.92325
   40    33 S   CT   _C20    47     1.55436   112.59396   -61.25099
   41    40 S   HC   _H19    48     1.10106   109.60666  -174.63265
   42    40 S   HC   _H20    49     1.09224   109.97700    68.75199
   43    38 S   CMA  _C23    40     1.36337   131.20828  -118.93466
   44    43 S   OM   _O38    41     1.26442   129.68917    -1.02965
   45    40 S   CO4  _C19    50     1.53636   118.98143   -53.06364
   46    45 S   O    _O37    51     1.23129   123.99195     3.04787
   47    43 S   S    _S1_    42     1.81217   111.21039   179.22217
   48    45 S   CT   _C18    52     1.52572   116.46373  -177.20096
   49    48 S   HC   _H17    53     1.09677   104.34830   138.18824
   50    48 S   HC   _H18    54     1.09646   109.39509    25.10216
   51    47 S   CT   _C24    43     1.81118    98.75405   -91.47931
   52    51 S   HC   _H22    44     1.09325   109.13593  -179.67016
   53    51 S   HC   _H23    45     1.09346   110.61561    61.06359
   54    51 S   HC   _H24    46     1.09344   110.71153   -60.32002
   55    48 S   CT   _C17    55     1.54925   114.23648  -100.15858
   56    55 S   CM   _C12    56     1.52186   112.04525  -170.17203
   57    55 S   OH   _O40    90     1.43213   108.99067   -51.75631
   58    57 S   HO   _H25    91     0.97287   108.46415   -43.96182
   59    56 S   CMA  _C13    57     1.35586   126.87549  -131.19069
   60    59 S   OM   _O42    58     1.26459   131.13434   179.13952
   61    56 S   CO4  _C11    69     1.49894   117.25501    50.81290
   62    61 S   O    _O36    70     1.22981   120.75667   -86.19357
   63    59 S   CT   _C14    59     1.52951   118.58818    -2.49897
   64    63 S   HC   _H13    60     1.09988   108.17645   103.76940
   65    63 S   HC   _H14    61     1.10035   110.43794  -139.17369
   66    61 S   CT   _C10    71     1.51173   117.14671    91.74645
   67    66 S   HC   _H11    72     1.09519   110.34401    12.61360
   68    66 S   HC   _H12    73     1.09552   107.17302   129.62404
   69    63 S   CT   _C15    62     1.53168   114.68528   -17.40995
   70    69 S   HC   _H3_    63     1.09609   109.23042   166.75937
   71    66 S   CO4  _C9_    74     1.51316   114.26407  -109.14373
   72    71 S   O    _O35    75     1.23092   121.62743    19.97075
   73    55 S   CT   _C16    64     1.54297   109.77717    65.27206
   74    73 S   HC   _H15    65     1.09749   110.13441    41.33561
   75    73 S   HC   _H16    66     1.09493   109.15896   -77.44378
   76    69 S   OH   _O41    67     1.42487   110.96916   -75.89235
   77    76 S   HO   _H26    68     0.97198   107.79348   -54.40814
   78    71 S   CT   _C8_    76     1.51559   115.76397  -163.28262
   79    78 S   HC   _H9_    77     1.09487   106.93589   -57.36487
   80    78 S   HC   _H10    78     1.09458   109.01044    60.03220
   81    78 S   CO4  _C7_    79     1.51536   115.52921  -178.73561
   82    81 S   O    _O34    80     1.23118   121.55377   -38.56403
   83    81 S   CT   _C6_    81     1.51527   116.58368   145.92702
   84    83 S   HC   _H7_    82     1.09466   109.07331   -35.46621
   85    83 S   HC   _H8_    83     1.09479   107.21581    82.46141
   86    83 S   CO4  _C5_    84     1.51471   115.71756  -155.77783
   87    86 S   O    _O33    85     1.23060   122.96480    14.03621
   88    86 S   CT   _C4_    86     1.50652   116.14541  -168.24693
   89    88 S   HC   _H4_    87     1.09276   109.62783    59.54156
   90    88 S   HC   _H5_    88     1.09273   109.52789   -61.53991
   91    88 S   HC   _H6_    89     1.09354   109.72532   178.88408
  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   9   5   4   3
  12   7   2   1   1   9   4   9   4   3   6   2   8   4   4  12
   5   4   3   2   1   1  15  17   7   1  11   5   9   4   9   5
   4   8   4   3   6   5   7   4   4   2   1   1   1   8   4   3
   7   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    49    50    55    43  
   42    45    46    48  
   45    46    48  
   44    47    51    52    53    54  
   47    51  
   46    48    49    50    55    56    73    57  
   48    49    50    55  
   51    52    53    54  
   49    50    55    56    59    69    73    74    75    61    57    58  
   50    55    56    73    57  
   55    56    73    57  
   52    53    54  
   53    54  
   54  
    0  
   56    59    60    63    69    70    73    74    75    76    61    62    66    57    58  
   59    60    63    64    65    69    73    74    75    61    62    66    67    68    71    57    58  
   58    59    61    69    73    74    75  
   73  
   60    63    64    65    69    70    73    76    61    62    66  
   63    64    65    69    61  
   62    66    67    68    71    72    78    63    73  
   66    67    68    71  
   64    65    69    70    73    74    75    76    77  
   65    69    70    73    76  
   69    70    73    76  
   67    68    71    72    78    79    80    81  
   68    71    72    78  
   71    72    78  
   70    73    74    75    76    77  
   73    74    75    76    77  
   72    78    79    80    81    82    83  
   78    79    80    81  
   74    75    76    77  
   75    76  
   76  
   77  
    0  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86    87    88  
   83    84    85    86  
   84    85    86    87    88    89    90    91  
   85    86    87    88  
   86    87    88  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.6000   0.3550  -0.575000   2.0300   1.8000   0.025682759  -1.666211680
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   240.000  1.763
   47    51   222.000  1.810
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   317.000  1.510
   55    73   268.000  1.529
   55    57   320.000  1.410
   56    59   465.000  1.376
   56    61   320.000  1.462
   59    60   745.000  1.250
   59    63   270.000  1.512
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   76    77   553.000  0.945
   61    62   570.000  1.229
   61    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   317.000  1.522
   71    72   570.000  1.229
   71    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.522
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   317.000  1.522
   86    87   570.000  1.229
   86    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   57    58   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    65.00000  137.10300
   38    43    47    65.00000  122.11800
   43    38    39    40.00000  120.50800
   43    47    51    85.00000  102.41200
   47    43    44    95.00000  113.88000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    55    63.00000  111.10000
   48    45    46    80.00000  120.40000
   48    55    56    70.00000  112.02700
   48    55    73    58.35000  112.70000
   48    55    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    56    59    70.00000  124.00000
   55    56    61    65.00000  116.34900
   55    73    69    58.35000  112.70000
   55    73    74    37.50000  110.70000
   55    73    75    37.50000  110.70000
   55    57    58    55.00000  108.50000
   56    59    60    65.00000  137.10300
   56    59    63    65.00000  122.18000
   56    61    62    80.00000  123.72100
   56    61    66    65.00000  118.62400
   59    63    64    45.00000  110.52000
   59    63    65    45.00000  110.52000
   59    63    69    70.00000  112.02700
   63    59    60    85.00000  112.85300
   63    69    70    37.50000  110.70000
   63    69    73    58.35000  112.70000
   63    69    76    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    76    77    55.00000  108.50000
   73    55    56    70.00000  112.02700
   73    69    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    69    70    35.00000  109.50000
   76    69    73    50.00000  109.50000
   61    56    59    60.00000  125.92000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    71    75.00000  107.99600
   66    61    62    80.00000  120.40000
   66    71    72    80.00000  120.40000
   66    71    78    70.00000  116.00000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    75.00000  107.99600
   78    71    72    80.00000  120.40000
   78    81    82    80.00000  120.40000
   78    81    83    70.00000  116.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    75.00000  107.99600
   83    81    82    80.00000  120.40000
   83    86    87    80.00000  120.40000
   83    86    88    70.00000  116.00000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   86    88    89    35.00000  109.50000
   86    88    90    35.00000  109.50000
   86    88    91    35.00000  109.50000
   88    86    87    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   57    55    56    90.00000  110.39200
   57    55    73    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.60050  1.0 1.0
   33    40    45    48   0.05600 -1.0 2.0
   33    40    45    48   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    51   1.00000 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.24000  1.0 3.0
   43    47    51    53   0.24000  1.0 3.0
   43    47    51    54   0.24000  1.0 3.0
   44    43    47    51   1.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    55   0.60050  1.0 1.0
   40    45    48    55   0.05600 -1.0 2.0
   40    45    48    55   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    55    56  -0.98800  1.0 1.0
   45    48    55    56   0.48800 -1.0 2.0
   45    48    55    56   0.76800  1.0 3.0
   45    48    55    73  -0.95700  1.0 1.0
   45    48    55    73  -0.18200 -1.0 2.0
   45    48    55    73   0.29450  1.0 3.0
   45    48    55    57  -0.09450  1.0 1.0
   45    48    55    57  -1.12950 -1.0 2.0
   45    48    55    57   0.54000  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    55   0.30150 -1.0 2.0
   48    55    56    59   0.09850  1.0 1.0
   48    55    56    59   0.15250 -1.0 2.0
   48    55    56    59  -0.50650  1.0 3.0
   48    55    56    61   0.09700  1.0 1.0
   48    55    56    61   0.15600 -1.0 2.0
   48    55    56    61  -0.50800  1.0 3.0
   48    55    73    69   0.56750  1.0 1.0
   48    55    73    69  -0.07550 -1.0 2.0
   48    55    73    69   0.20000  1.0 3.0
   48    55    73    74   0.15000  1.0 3.0
   48    55    73    75   0.15000  1.0 3.0
   48    55    57    58  -0.11600  1.0 1.0
   48    55    57    58  -0.09450 -1.0 2.0
   48    55    57    58   0.21250  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    73   0.15000  1.0 3.0
   49    48    55    57   0.23400  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    73   0.15000  1.0 3.0
   50    48    55    57   0.23400  1.0 3.0
   55    56    59    60   7.00000 -1.0 2.0
   55    56    59    63   7.00000 -1.0 2.0
   55    56    61    62  -0.64400  1.0 1.0
   55    56    61    62   0.26850 -1.0 2.0
   55    56    61    66   0.25700  1.0 1.0
   55    56    61    66   0.66200 -1.0 2.0
   55    56    61    66   0.04450  1.0 3.0
   56    55    73    69   0.34400  1.0 1.0
   56    55    73    69   0.09450 -1.0 2.0
   56    55    73    69   0.11100  1.0 3.0
   56    55    73    74   0.15000  1.0 3.0
   56    55    73    75   0.15000  1.0 3.0
   56    55    57    58  -0.07800  1.0 1.0
   56    55    57    58  -0.21500 -1.0 2.0
   56    55    57    58  -0.03150  1.0 3.0
   56    59    63    64   0.00000  1.0 1.0
   56    59    63    65   0.00000  1.0 1.0
   56    59   -63    69   0.09850  1.0 1.0
   56    59   -63    69   0.15250 -1.0 2.0
   56    59   -63    69  -0.50650  1.0 3.0
   56    61    66    67   0.00000  1.0 1.0
   56    61    66    68   0.00000  1.0 1.0
   56    61    66    71   0.65300  1.0 1.0
   56    61    66    71  -0.03850 -1.0 2.0
   56    61    66    71   0.33900  1.0 3.0
   59    56    61    62   1.00000 -1.0 2.0
   59    56    61    66  -0.33500  1.0 1.0
   59    56    61    66   1.06600 -1.0 2.0
   59    56    61    66  -0.14000  1.0 3.0
   59    63    69    70   0.15000  1.0 3.0
   59    63    69    73   0.34400  1.0 1.0
   59    63    69    73   0.09450 -1.0 2.0
   59    63    69    73   0.11100  1.0 3.0
   59    63    69    76   1.05650  1.0 1.0
   59    63    69    76   0.15600 -1.0 2.0
   59    63    69    76   0.53150  1.0 3.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    65   0.00000  1.0 1.0
   60    59    63    69   0.09700  1.0 1.0
   60    59    63    69   0.15600 -1.0 2.0
   60    59    63    69  -0.50800  1.0 3.0
   63    69   -73    55   0.56750  1.0 1.0
   63    69   -73    55  -0.07550 -1.0 2.0
   63    69   -73    55   0.20000  1.0 3.0
   63    69    73    74   0.15000  1.0 3.0
   63    69    73    75   0.15000  1.0 3.0
   63    69    76    77  -0.11600  1.0 1.0
   63    69    76    77  -0.09450 -1.0 2.0
   63    69    76    77   0.21250  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    73   0.15000  1.0 3.0
   64    63    69    76   0.23400  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    73   0.15000  1.0 3.0
   65    63    69    76   0.23400  1.0 3.0
   70    69    73    55   0.15000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    76    77   0.19450  1.0 3.0
   73    55   -56    59   0.09850  1.0 1.0
   73    55   -56    59   0.15250 -1.0 2.0
   73    55   -56    59  -0.50650  1.0 3.0
   73    55    56    61   0.09700  1.0 1.0
   73    55    56    61   0.15600 -1.0 2.0
   73    55    56    61  -0.50800  1.0 3.0
   73    55    57    58  -0.11600  1.0 1.0
   73    55    57    58  -0.09450 -1.0 2.0
   73    55    57    58   0.21250  1.0 3.0
   73    69    76    77  -0.11600  1.0 1.0
   73    69    76    77  -0.09450 -1.0 2.0
   73    69    76    77   0.21250  1.0 3.0
   76    69    73    55   0.86500  1.0 1.0
   76    69    73    55  -0.17500 -1.0 2.0
   76    69    73    55   0.20800  1.0 3.0
   76    69    73    74   0.23400  1.0 3.0
   76    69    73    75   0.23400  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    63   7.00000 -1.0 2.0
   61    66    71    72   0.30150 -1.0 2.0
   61    66    71    78   0.65300  1.0 1.0
   61    66    71    78  -0.03850 -1.0 2.0
   61    66    71    78   0.33900  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   62    61    66    71   0.30150 -1.0 2.0
   66    71    78    79   0.00000  1.0 1.0
   66    71    78    80   0.00000  1.0 1.0
   66    71    78    81   0.65300  1.0 1.0
   66    71    78    81  -0.03850 -1.0 2.0
   66    71    78    81   0.33900  1.0 3.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    78   0.00000  1.0 1.0
   68    66    71    72   0.00000  1.0 1.0
   68    66    71    78   0.00000  1.0 1.0
   71    78    81    82   0.30150 -1.0 2.0
   71    78    81    83   0.65300  1.0 1.0
   71    78    81    83  -0.03850 -1.0 2.0
   71    78    81    83   0.33900  1.0 3.0
   72    71    78    79   0.00000  1.0 1.0
   72    71    78    80   0.00000  1.0 1.0
   72    71    78    81   0.30150 -1.0 2.0
   78    81    83    84   0.00000  1.0 1.0
   78    81    83    85   0.00000  1.0 1.0
   78    81    83    86   0.65300  1.0 1.0
   78    81    83    86  -0.03850 -1.0 2.0
   78    81    83    86   0.33900  1.0 3.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   80    78    81    83   0.00000  1.0 1.0
   81    83    86    87   0.30150 -1.0 2.0
   81    83    86    88   0.65300  1.0 1.0
   81    83    86    88  -0.03850 -1.0 2.0
   81    83    86    88   0.33900  1.0 3.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   0.00000  1.0 1.0
   82    81    83    86   0.30150 -1.0 2.0
   83    86    88    89   0.00000  1.0 1.0
   83    86    88    90   0.00000  1.0 1.0
   83    86    88    91   0.00000  1.0 1.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   85    83    86    87   0.00000  1.0 1.0
   85    83    86    88   0.00000  1.0 1.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   0.00000  1.0 1.0
   87    86    88    91   0.00000  1.0 1.0
   57    55    56    59   0.67800  1.0 1.0
   57    55    56    59   0.47050 -1.0 2.0
   57    55    56    59  -0.62500  1.0 3.0
   57    55    56    61   0.09700  1.0 1.0
   57    55    56    61   0.15600 -1.0 2.0
   57    55    56    61  -0.50800  1.0 3.0
   57    55    73    69   0.86500  1.0 1.0
   57    55    73    69  -0.17500 -1.0 2.0
   57    55    73    69   0.20800  1.0 3.0
   57    55    73    74   0.23400  1.0 3.0
   57    55    73    75   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   44    47    43    38  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   55    61    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   56    66    61    62  10.50000 -1.0 2.0
   66    78    71    72  10.50000 -1.0 2.0
   78    83    81    82  10.50000 -1.0 2.0
   83    88    86    87  10.50000 -1.0 2.0
END
