* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    151    252     456
    1     0 S   NP   _N1_     1    28.78728    97.40957   -23.80822
    2     1 S   H    _HN1     2     1.02797   109.97430   -93.76981
    3     1 S   H    _H1_     3     1.02947    65.22226     7.85335
    4     1 S   H    _H2_     4     1.02829    43.49565   170.98672
    5     1 S   CT   _CA1     5     1.50126   136.35281   102.04860
    6     5 S   HC   _HA1     6     1.09575   105.15911   102.69304
    7     5 S   CO3  _C1_     7     1.53769   112.43892   -17.51531
    8     7 S   O2Z  _O11     8     1.26378   115.00846   -43.27842
    9     7 S   O2Z  _O12     9     1.26235   114.93918   135.69489
   10     5 S   CT   _CB1    10     1.53054   107.40193  -139.35289
   11    10 S   HC   HB11    11     1.09843   109.33324   -49.35159
   12    10 S   HC   HB12    12     1.09811   110.48490    67.24270
   13    10 S   CT   _CG1    13     1.53024   112.63366  -170.27334
   14    13 S   HC   HG11    14     1.09569   110.74483   -67.36644
   15    13 S   HC   HG12    15     1.09669   109.68901    51.88337
   16    13 S   C    _CD1    16     1.51814   111.94308   172.38055
   17    16 S   O    _OE1    17     1.22760   123.15329    13.07906
   18    16 S   N    _N2_    18     1.38633   111.86328  -166.94922
   19    18 S   H    _HN2    19     1.01573   119.05065     0.87268
   20    18 S   CT1  _CA2    20     1.46240   123.39163   176.55872
   21    20 S   HC   _HA2    21     1.09742   109.24946     8.32150
   22    20 S   C    _C2_    22     1.53727   109.00976  -107.19335
   23    22 S   O    _O2_    23     1.23096   122.21867  -149.97409
   24    20 S   CT   _CB2    32     1.53440   111.62188   130.30909
   25    24 S   HC   HB21    33     1.09511   109.67205    56.94452
   26    24 S   HC   HB22    34     1.09364   109.57300   175.69716
   27    22 S   N    _N3_    24     1.38305   113.93433    37.55982
   28    27 S   H    _HN3    25     1.01533   119.60578    -3.21942
   29    24 S   S    _SG2    35     1.83265   111.11416   -64.58038
   30    27 S   CT   _CA3    26     1.45274   123.30934   177.22286
   31    30 S   HC   HA31    27     1.09547   107.51577   -64.88692
   32    30 S   HC   HA32    28     1.09555   107.99895    51.57660
   33    29 S   CT   _C18    36     1.87771   101.96548   174.95228
   34    33 S   OM   _O37    37     1.32596   107.77852   -64.60640
   35    30 S   CO3  _C3_    29     1.52980   114.02990   173.58610
   36    35 S   O2Z  _O31    30     1.26386   116.08529    -0.06256
   37    35 S   O2Z  _O32    31     1.26425   114.41502   179.97202
   38    33 S   CT   _C19    38     1.56041   112.01944    54.47333
   39    38 S   HC   _H5_    39     1.10255   108.84415   -73.30694
   40    33 S   CT   _C17    71     1.58009   108.21809   177.09168
   41    40 S   HC   _H4_    72     1.09666   107.55741   -57.48888
   42    38 S   CO4  _C20    40     1.53034   110.59585   171.41421
   43    42 S   O    _O33    41     1.23385   120.57058   133.45797
   44    40 S   NT   _N5_    73     1.47805   112.59141    58.46310
   45    44 S   H    _H17    74     1.02007   108.34110   -40.84573
   46    44 S   H    _H18    75     1.01824   109.62027  -156.44146
   47    38 S   C    _C23    78     1.53445   115.59356    46.53105
   48    47 S   O    _O36    79     1.22739   124.41082    31.79777
   49    42 S   CT   _C21    42     1.52845   117.62764   -51.18042
   50    47 S   N    _N4_    80     1.37736   113.14599  -150.56191
   51    50 S   H    _H15    81     1.01445   122.64752     0.37325
   52    50 S   H    _H16    82     1.01382   120.29344  -179.10365
   53    49 S   CO4  _C22    43     1.52130   112.63816   -77.95465
   54    53 S   O    _O34    44     1.23093   120.40314   -39.00431
   55    49 S   OH   _O35    76     1.43223   107.05520   168.87049
   56    55 S   HO   _H14    77     0.97413   107.58477    52.80003
   57    53 S   CA   _C13    45     1.49687   119.82670   143.66930
   58    57 S   CA   _C14    46     1.40265   119.41263    11.70722
   59    57 S   CA   _C12    57     1.40817   120.80593  -169.02399
   60    58 S   CA   _C5_    47     1.41904   119.33550   174.62280
   61    59 S   OH   _O38    58     1.37659   120.50532     2.02681
   62    61 S   HO   _H19    59     0.97225   109.94353    -1.40737
   63    58 S   CT   _C15    66     1.51259   119.58331    -3.51474
   64    63 S   HC   _H12    67     1.09776   107.83693    90.20032
   65    63 S   HC   _H13    68     1.09351   111.32986  -153.59050
   66    60 S   CA   _C6_    48     1.43102   120.57803     7.26882
   67    60 S   CT   _C4_    62     1.51693   119.52268  -174.26021
   68    67 S   HC   _H6_    63     1.09402   110.09771   -93.54762
   69    67 S   HC   _H7_    64     1.09392   112.15044    28.29170
   70    67 S   HC   _H8_    65     1.09419   111.64160   144.40940
   71    49 S   CT   _C16    69     1.52843   111.14047    50.77296
   72    71 S   HC   _H3_    70     1.10077   108.07549    68.92062
   73    66 S   CA   _C7_    49     1.41856   122.14585   174.26568
   74    73 S   HA   _H9_    50     1.08759   121.09669    -1.54662
   75    73 S   CA   _C8_    51     1.39365   122.74365   179.37255
   76    75 S   HA   _H10    52     1.08602   120.08098  -179.97202
   77    75 S   CA   _C9_    53     1.38082   119.60714     0.18345
   78    77 S   HA   _H11    54     1.08599   119.45889  -179.90721
   79    77 S   CA   _C10    55     1.39543   119.30326     0.45241
   80    66 S   CA   _C11    56     1.42093   119.89734    -5.30677
   81    79 S   OH   _O39    60     1.37455   117.28262   179.63470
   82    81 S   HO   _H20    61     0.97164   109.40858    -0.01978
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  15   7  15   7  13   5   6   2   1   5   3
  12   2   1   1  12   5   5   1  13  15  10  14   4   1   6   3
   2  12   5   2   1   1   1   1   7   4   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    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    42    71    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    63    71    72    40    41    44    45    46    47    48    50  
   38    39    42    71    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    53    71    40    41    44    55    47    48    50    51    52  
   42    43    49    40    47    48    50  
   41    44    45    46    55    47    42    49    53    58    63    64    65    71    72  
   44    45    46    49    63    71    72  
   43    49    53    54    57    63    71    72    55    56    47    48    50  
   49    53    71    55    47  
   45    46    49    63    71    72  
   46    71  
   71  
   48    50    51    52    49  
   50    51    52  
   53    54    57    58    59    63    64    65    71    72    55    56  
   51    52  
   52  
    0  
   54    57    58    60    80    59    61    63    71    72    55    56  
   57    58    59    71    55  
   56    57    63    71    72  
   71  
   58    60    66    79    80    59    61    62    67    63    64    65    71  
   60    66    73    80    59    61    67    68    69    70    63    64    65    71    72  
   61    62    81    63    60    66    73    77    79    80  
   66    73    74    75    79    80    67    68    69    70    63    64    65    71  
   62    66    79    80  
   80  
   64    65    71    72    66    67  
   65    71    72  
   71    72  
   73    74    75    76    77    79    80    81    67    68    69    70  
   68    69    70    73    80  
   69    70  
   70  
    0  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    80  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82  
   81    82  
   82  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   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    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    47   317.000  1.522
   42    43   570.000  1.229
   42    49   317.000  1.522
   49    53   317.000  1.522
   49    71   268.000  1.529
   49    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    59   469.000  1.400
   58    60   469.000  1.400
   58    63   317.000  1.510
   60    66   469.000  1.400
   60    67   317.000  1.510
   66    73   469.000  1.400
   66    80   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    59   469.000  1.400
   59    61   450.000  1.364
   61    62   553.000  0.945
   81    82   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    44   382.000  1.448
   44    45   434.000  1.010
   44    46   434.000  1.010
   55    56   553.000  0.945
   47    48   570.000  1.229
   47    50   490.000  1.335
   50    51   434.000  1.010
   50    52   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    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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    47    63.00000  111.10000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    56.20000  109.47000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    49    70.00000  116.00000
   38    47    48    80.00000  120.40000
   38    47    50    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    49    53    75.00000  107.99600
   42    49    71    63.00000  111.10000
   42    49    55    90.00000  109.61100
   49    42    43    80.00000  120.40000
   49    53    54    80.00000  120.40000
   49    53    57    65.00000  115.47100
   49    71    63    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    40    58.35000  112.70000
   49    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    59    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    60    63.00000  120.00000
   57    58    63    70.00000  120.00000
   57    59    80    63.00000  120.00000
   57    59    61    70.00000  120.00000
   58    60    66    63.00000  120.00000
   58    60    67    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    71    70.00000  112.17500
   60    66    73    63.00000  120.00000
   60    66    80    63.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   66    80    79    63.00000  120.00000
   66    80    59    63.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    81    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    59    63.00000  120.00000
   79    81    82    35.00000  113.00000
   80    66    73    63.00000  120.00000
   80    59    61    70.00000  120.00000
   59    57    58    63.00000  120.00000
   59    61    62    35.00000  113.00000
   81    79    80    70.00000  120.00000
   67    60    66    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    58    60    70.00000  120.00000
   63    71    72    37.50000  110.70000
   63    71    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    49    53    63.00000  111.10000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    44    56.20000  109.47000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   44    40    41    35.00000  109.50000
   46    44    45    43.60000  106.40000
   55    49    53    90.00000  109.61100
   55    49    71    50.00000  109.50000
   47    38    39    35.00000  109.50000
   47    38    42    70.00000  107.85200
   47    50    51    35.00000  119.80000
   47    50    52    35.00000  119.80000
   50    47    48    80.00000  122.90000
   52    50    51    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.60050  1.0 1.0
   33    38    42    49   0.05600 -1.0 2.0
   33    38    42    49   0.26150  1.0 3.0
   33    38    47    48   0.30150 -1.0 2.0
   33    38    47    50   1.39750  1.0 1.0
   33    38    47    50  -0.07950 -1.0 2.0
   33    38    47    50  -0.18750  1.0 3.0
   33    40    44    45  -0.05950  1.0 1.0
   33    40    44    45   0.08850 -1.0 2.0
   33    40    44    45   0.11750  1.0 3.0
   33    40    44    46  -0.05950  1.0 1.0
   33    40    44    46   0.08850 -1.0 2.0
   33    40    44    46   0.11750  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    47  -0.09450  1.0 1.0
   34    33    38    47  -1.12950 -1.0 2.0
   34    33    38    47   0.54000  1.0 3.0
   34    33    40    71   0.62750  1.0 1.0
   34    33    40    71  -0.30950 -1.0 2.0
   34    33    40    71   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.74050  1.0 1.0
   38    33    40    71   0.56750  1.0 1.0
   38    33    40    71  -0.07550 -1.0 2.0
   38    33    40    71   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.85550  1.0 1.0
   38    33    40    44  -0.84100 -1.0 2.0
   38    42    49    53   0.65300  1.0 1.0
   38    42    49    53  -0.03850 -1.0 2.0
   38    42    49    53   0.33900  1.0 3.0
   38    42   -49    71   0.60050  1.0 1.0
   38    42   -49    71   0.05600 -1.0 2.0
   38    42   -49    71   0.26150  1.0 3.0
   38    42    49    55   0.55300  1.0 1.0
   38    42    49    55   1.25850 -1.0 2.0
   38    42    49    55  -0.23600  1.0 3.0
   38    47    50    51   2.45000 -1.0 2.0
   38    47    50    52   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   39    38    47    48   0.00000  1.0 1.0
   39    38    47    50   0.00000  1.0 1.0
   42    38    47    48   0.30150 -1.0 2.0
   42    38    47    50   0.00000  1.0 1.0
   42    49    53    54   0.30150 -1.0 2.0
   42    49    53    57   0.65300  1.0 1.0
   42    49    53    57  -0.03850 -1.0 2.0
   42    49    53    57   0.33900  1.0 3.0
   42    49    71    63  -0.95700  1.0 1.0
   42    49    71    63  -0.18200 -1.0 2.0
   42    49    71    63   0.29450  1.0 3.0
   42    49    71    72  -0.11250  1.0 3.0
   42    49    71    40  -0.95700  1.0 1.0
   42    49    71    40  -0.18200 -1.0 2.0
   42    49    71    40   0.29450  1.0 3.0
   42    49    55    56   0.91850  1.0 1.0
   42    49    55    56   0.57950  1.0 3.0
   43    42    49    53   0.30150 -1.0 2.0
   43    42    49    71   0.30150 -1.0 2.0
   43    42    49    55   0.30150 -1.0 2.0
   49    53    57    58   2.26350  1.0 1.0
   49    53    57    58   0.76750 -1.0 2.0
   49    53    57    58   0.22500  1.0 3.0
   49    53    57    59   2.26350  1.0 1.0
   49    53    57    59   0.76750 -1.0 2.0
   49    53    57    59   0.22500  1.0 3.0
   49    71   -40    33   0.56750  1.0 1.0
   49    71   -40    33  -0.07550 -1.0 2.0
   49    71   -40    33   0.20000  1.0 3.0
   49    71    40    41   0.15000  1.0 3.0
   49    71    40    44   1.85550  1.0 1.0
   49    71    40    44  -0.84100 -1.0 2.0
   53    49    71    63  -0.95700  1.0 1.0
   53    49    71    63  -0.18200 -1.0 2.0
   53    49    71    63   0.29450  1.0 3.0
   53    49    71    72  -0.11250  1.0 3.0
   53    49    71    40  -0.95700  1.0 1.0
   53    49    71    40  -0.18200 -1.0 2.0
   53    49    71    40   0.29450  1.0 3.0
   53    49    55    56   0.91850  1.0 1.0
   53    49    55    56   0.57950  1.0 3.0
   53    57    58    60   3.62500 -1.0 2.0
   53    57   -58    63   3.62500 -1.0 2.0
   53    57    59    80   3.62500 -1.0 2.0
   53    57    59    61   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    59   1.05000 -1.0 2.0
   57    58    60    66   3.62500 -1.0 2.0
   57    58    60    67   3.62500 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    71   0.04150 -1.0 2.0
   57    59    61    62   0.84100 -1.0 2.0
   58    57    59    80   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   58    60    66    73   3.62500 -1.0 2.0
   58    60   -66    80   3.62500 -1.0 2.0
   58    60    67    68   0.00000  1.0 1.0
   58    60    67    69   0.00000  1.0 1.0
   58    60    67    70   0.00000  1.0 1.0
   58    63   -71    49  -0.03700  1.0 1.0
   58    63   -71    49   0.37200 -1.0 2.0
   58    63   -71    49  -0.47300  1.0 3.0
   58    63    71    72   0.43200  1.0 3.0
   58    63    71    40  -0.03700  1.0 1.0
   58    63    71    40   0.37200 -1.0 2.0
   58    63    71    40  -0.47300  1.0 3.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    65   0.00000  1.0 1.0
   60    58    63    71   0.04150 -1.0 2.0
   60    66    73    74   3.62500 -1.0 2.0
   60    66    73    75   3.62500 -1.0 2.0
   60    66    80    79   3.62500 -1.0 2.0
   60    66    80    59   3.62500 -1.0 2.0
   66    60    67    68   0.00000  1.0 1.0
   66    60    67    69   0.00000  1.0 1.0
   66    60    67    70   0.00000  1.0 1.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73    75    77   3.62500 -1.0 2.0
   66    80   -59    57   3.62500 -1.0 2.0
   66    80    59    61   3.62500 -1.0 2.0
   73    66    80    79   3.62500 -1.0 2.0
   73    66    80    59   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -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    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -80    66   3.62500 -1.0 2.0
   77    79    80    59   3.62500 -1.0 2.0
   77    79    81    82   0.84100 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    80    59    57   3.62500 -1.0 2.0
   79    80    59    61   3.62500 -1.0 2.0
   80    66    73    74   3.62500 -1.0 2.0
   80    66   -73    75   3.62500 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   80    59    61    62   0.84100 -1.0 2.0
   59    57   -58    60   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   81    79    80    66   3.62500 -1.0 2.0
   81    79    80    59   3.62500 -1.0 2.0
   67    60    66    73   3.62500 -1.0 2.0
   67    60    66    80   3.62500 -1.0 2.0
   63    58    60    66   3.62500 -1.0 2.0
   63    58    60    67   3.62500 -1.0 2.0
   63    71    40    33   0.56750  1.0 1.0
   63    71    40    33  -0.07550 -1.0 2.0
   63    71    40    33   0.20000  1.0 3.0
   63    71    40    41   0.15000  1.0 3.0
   63    71    40    44   1.85550  1.0 1.0
   63    71    40    44  -0.84100 -1.0 2.0
   64    63    71    49   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    40   0.15000  1.0 3.0
   65    63    71    49   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    40   0.15000  1.0 3.0
   71    49    53    54   0.30150 -1.0 2.0
   71    49   -53    57   0.05850 -1.0 2.0
   71    49   -53    57   0.17250  1.0 3.0
   71    49    55    56  -0.11600  1.0 1.0
   71    49    55    56  -0.09450 -1.0 2.0
   71    49    55    56   0.21250  1.0 3.0
   71    40    44    45  -0.05950  1.0 1.0
   71    40    44    45   0.08850 -1.0 2.0
   71    40    44    45   0.11750  1.0 3.0
   71    40    44    46  -0.05950  1.0 1.0
   71    40    44    46   0.08850 -1.0 2.0
   71    40    44    46   0.11750  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    47  -0.95700  1.0 1.0
   40    33    38    47  -0.18200 -1.0 2.0
   40    33    38    47   0.29450  1.0 3.0
   41    40    44    45   0.20000  1.0 3.0
   41    40    44    46   0.20000  1.0 3.0
   55    49    53    54   0.30150 -1.0 2.0
   55    49    53    57   0.65300  1.0 1.0
   55    49    53    57  -0.03850 -1.0 2.0
   55    49    53    57   0.33900  1.0 3.0
   55    49    71    63   0.86500  1.0 1.0
   55    49    71    63  -0.17500 -1.0 2.0
   55    49    71    63   0.20800  1.0 3.0
   55    49    71    72   0.23400  1.0 3.0
   55    49    71    40   0.86500  1.0 1.0
   55    49    71    40  -0.17500 -1.0 2.0
   55    49    71    40   0.20800  1.0 3.0
   47    38    42    43   0.30150 -1.0 2.0
   47    38    42    49   0.65300  1.0 1.0
   47    38    42    49  -0.03850 -1.0 2.0
   47    38    42    49   0.33900  1.0 3.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    52   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
   36    30    35    37  10.50000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   58    59    57    53   4.00000 -1.0 2.0
   60    63    58    57   4.00000 -1.0 2.0
   66    67    60    58   4.00000 -1.0 2.0
   73    80    66    60   4.00000 -1.0 2.0
   75    74    73    66   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    81    79    77   4.00000 -1.0 2.0
   79    59    80    66   4.00000 -1.0 2.0
   80    61    59    57   4.00000 -1.0 2.0
   38    50    47    48  10.50000 -1.0 2.0
   52    47    50    51   1.00000 -1.0 2.0
END
