* LIGAND DATABASE FILE (OPLS2005)
*
001      87    91    158    252     449
    1     0 S   NP   _N1_     1    28.88612    94.61049   -16.91459
    2     1 S   H    _HN1     2     1.03094   103.75772    36.28252
    3     1 S   H    _H1_     3     1.02814    42.47890   136.50706
    4     1 S   H    _H2_     4     1.02782    68.75945   -67.67533
    5     1 S   CT   _CA1     5     1.50038   142.37921  -166.93337
    6     5 S   HC   _HA1     6     1.09574   105.24842    21.05501
    7     5 S   CO3  _C1_     7     1.53829   112.13172   -99.21855
    8     7 S   O2Z  _O11     8     1.26334   115.14664   -54.79315
    9     7 S   O2Z  _O12     9     1.26235   114.85364   124.39588
   10     5 S   CT   _CB1    10     1.53038   107.61260   138.78122
   11    10 S   HC   HB11    11     1.09790   109.60350   -49.77050
   12    10 S   HC   HB12    12     1.09661   110.38225    67.10261
   13    10 S   CT   _CG1    13     1.52946   112.69229  -171.08687
   14    13 S   HC   HG11    14     1.09545   110.33526   -56.93477
   15    13 S   HC   HG12    15     1.09605   110.27551    62.12884
   16    13 S   C    _CD1    16     1.51838   111.69005  -177.90809
   17    16 S   O    _OE1    17     1.22749   123.00898   -19.59189
   18    16 S   N    _N2_    18     1.38524   111.87653   161.58365
   19    18 S   H    _HN2    19     1.01566   119.00148     1.56323
   20    18 S   CT1  _CA2    20     1.46246   123.47599  -177.83463
   21    20 S   HC   _HA2    21     1.09724   109.60599   -12.34902
   22    20 S   C    _C2_    22     1.53340   107.74008  -128.15503
   23    22 S   O    _O2_    23     1.22996   122.40679  -140.89157
   24    20 S   CT   _CB2    32     1.53496   111.17991   110.01153
   25    24 S   HC   HB21    33     1.09243   109.13121    55.34102
   26    24 S   HC   HB22    34     1.09521   110.27489   173.33414
   27    22 S   N    _N3_    24     1.38546   113.18857    45.96412
   28    27 S   H    _HN3    25     1.01530   118.94257    -0.26319
   29    24 S   S    _SG2    35     1.82890   111.39806   -67.98254
   30    27 S   CT   _CA3    26     1.45439   123.32777   175.16207
   31    30 S   HC   HA31    27     1.09532   109.08199    27.15518
   32    30 S   HC   HA32    28     1.09491   107.15617   144.15785
   33    29 S   CT   _C14    36     1.90643   103.32052   147.62957
   34    30 S   CO3  _C3_    29     1.52950   113.24711   -96.19377
   35    34 S   O2Z  _O31    30     1.26392   115.47715   -42.32171
   36    34 S   O2Z  _O32    31     1.26365   114.92304   138.60045
   37    33 S   CM   _C12    37     1.55396   104.40001   172.41863
   38    33 S   CT   _C16    71     1.55862   109.12403    52.20531
   39    38 S   HC   _H13    72     1.09540   112.57630    70.94840
   40    38 S   HC   _H14    73     1.09355   111.39214   -46.52401
   41    37 S   N4   _N9_    38     1.36648   118.65335    90.80985
   42    37 S   CMA  _C13    68     1.53839   121.43450   -78.73653
   43    42 S   OM   _O36    69     1.26384   119.90337  -124.75647
   44    42 S   OM   _O37    70     1.26235   122.01760    55.40088
   45    38 S   N5P  _N10    74     1.47774   114.41337  -166.20168
   46    41 S   C4   _C11    39     1.35340   136.95683  -157.32571
   47    46 S   O    _O35    40     1.20892   134.47823    -1.05758
   48    41 S   C4T  _C10    43     1.44968   125.98812    30.90612
   49    48 S   HC   _H4_    44     1.09779   111.96690    73.12070
   50    45 S   C5B  _C17    75     1.38951   125.38279   -86.09436
   51    50 S   HA   _H15    76     1.07098   118.53554    -0.13988
   52    46 S   C4T  _C9_    41     1.56379    89.74052   175.08829
   53    52 S   HC   _H3_    42     1.09559   113.44246   124.21625
   54    48 S   S    _S2_    45     1.80499   110.67056   -54.66363
   55    50 S   C5A  _C18    77     1.36535   107.70279  -179.92598
   56    55 S   HA   _H16    78     1.07282   135.03865  -179.44327
   57    33 S   CT   _C15    46     1.55856   107.48947   -67.15191
   58    57 S   HC   _H11    47     1.09250   112.33820    57.24603
   59    57 S   HC   _H12    48     1.09560   110.26668   175.25806
   60    52 S   N    _N8_    49     1.47863   114.27472  -106.62611
   61    60 S   H    _H10    50     1.01960   119.17721   112.62322
   62    55 S   N56P _N11    79     1.37039   106.42685     1.82059
   63    60 S   C    _C8_    51     1.37888   122.61397   -66.69769
   64    63 S   O    _O34    52     1.22052   128.58640    -4.61214
   65    45 S   C56P _C19    80     1.35010   126.54808    97.64033
   66    63 S   CD   _C5_    53     1.50482   112.81015   174.11220
   67    65 S   CAA  _C20    81     1.46964   130.84980    -0.39267
   68    67 S   HA   _H17    82     1.08119   121.27321     1.03287
   69    66 S   CA5  _C6_    54     1.45246   120.30112   -84.40895
   70    66 S   NI   _N4_    62     1.29851   121.97064    94.79902
   71    67 S   CAB  _C21    83     1.33376   116.49799  -178.92589
   72    71 S   HA   _H18    84     1.08086   124.00101   179.97202
   73    69 S   N5B  _N5_    55     1.39642   120.74260   177.07926
   74    70 S   OS   _O33    63     1.40187   111.20721     0.25793
   75    71 S   CAB  _C22    85     1.48448   115.97865    -0.11703
   76    75 S   HA   _H19    86     1.10336   113.40385   179.75611
   77    73 S   CA5  _C7_    56     1.31632   109.12815  -177.98171
   78    74 S   CT   _C4_    64     1.41931   108.25333  -176.60552
   79    78 S   HC   _H5_    65     1.09311   108.47998  -179.70525
   80    78 S   HC   _H6_    66     1.09442   110.32270    61.30120
   81    78 S   HC   _H7_    67     1.09438   110.35858   -60.64400
   82    62 S   NAA  _N12    87     1.40308   125.00707   179.30790
   83    77 S   SA   _S1_    57     1.72203   111.39027     0.17804
   84    77 S   NE   _N7_    59     1.34439   126.47757   179.92598
   85    84 S   H    _H8_    60     1.01392   121.74534     1.05406
   86    84 S   H    _H9_    61     1.01442   121.93319  -179.45392
   87    69 S   N5B  _N6_    58     1.33623   120.46937    -0.98992
  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  12   5   4   3
  17   2   1   1  17  15   5   4  12   5   1   1  11   9   4  10
   5   7   4   8   4   4   6   3   2   1   1   6   3   7   7   3
   6   8   6   3   7   7   4   3   6   4   2   1   5   3   2   1
   1   1   4   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    57    58    59    42    43    44    38    39    40    45    50    65  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    55    62    65    67    41    42    54    57    58    59  
   40    45    50    65    57  
   45    50    65    57  
   46    47    52    53    48    49    54    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    55    56    62    65    67    68    71    82    57  
   47    52    53    48    49    54    60    61    63  
   52    53    48    60  
   49    54    57    58    59    60    61    63    52    53  
   54    57    60    52    53  
   51    55    56    62    65    67    82  
   55    56    62    65  
   53    54    57    60    61    63    64    66  
   54    60    61    63  
   57    58    59    60  
   56    62    65    67    75    82  
   62    65    82  
   58    59  
   59  
    0  
   61    63    64    66    69    70  
   63    64    66  
   65    67    68    71    75    76    82  
   64    66    69    73    87    70    74  
   66    69    70  
   67    68    71    72    75    82  
   69    73    77    83    87    70    74    78  
   68    71    72    75    76    82  
   71    72    75  
   73    77    83    87    84    70    74  
   74    78    79    80    81    73    87  
   72    75    76    82  
   75    76    82  
   77    83    87    84    85    86  
   78    79    80    81  
   76    82  
   82  
   83    87    84    85    86  
   79    80    81  
   80    81  
   81  
    0  
    0  
   87    84    85    86  
   85    86    87  
   86  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.141100   1.9750   1.7500   0.001000000  -0.511443539
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.032500   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.241500   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.426400   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.308200   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.2500   0.1700   0.610400   1.8650   1.6500   0.001000000  -0.511443539
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5500   0.0700   0.238100   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0700  -0.135300   2.5000   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.219600   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.504400   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.5500   0.0700  -0.256200   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.230000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   74   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5500   0.0700   0.309500   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.145600   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.425300   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.2800   0.1700  -0.498900   1.8650   1.6500   0.001000000  -0.511443539
   83   3.5600   0.3950   0.119700   2.0080   1.7800   0.025682759  -1.666211680
   84   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   85   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   86   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.2500   0.1700  -0.365000   1.8000   1.6000   0.001000000  -0.511443539
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    60   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    63   490.000  1.335
   63    64   570.000  1.229
   63    66   270.000  1.486
   66    69   305.000  1.466
   66    70   500.000  1.261
   69    73   525.000  1.333
   69    87   525.000  1.333
   73    77   525.000  1.333
   77    83   255.000  1.769
   77    84   481.000  1.340
   83    87   260.000  1.695
   84    85   434.000  1.010
   84    86   434.000  1.010
   70    74   320.000  1.394
   74    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   300.000  1.456
   45    50   420.000  1.386
   45    65   515.000  1.335
   50    51   367.000  1.080
   50    55   520.000  1.370
   55    56   367.000  1.080
   55    62   427.000  1.381
   62    65   535.000  1.325
   62    82   400.000  1.349
   65    67   485.000  1.375
   67    68   385.000  1.085
   67    71   500.000  1.367
   71    72   385.000  1.085
   71    75   420.000  1.406
   75    76   385.000  1.085
   75    82   555.000  1.319
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    54    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.19500
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    63    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    57    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    53    50.00000  112.01000
   60    52    48    80.00000  110.05700
   60    63    64    80.00000  122.90000
   60    63    66    75.00000  109.57000
   63    60    61    35.00000  119.80000
   63    66    69    75.00000  114.44000
   63    66    70    65.00000  123.79500
   66    63    64    80.00000  120.45000
   66    69    73    60.00000  126.00000
   66    69    87    60.00000  126.00000
   66    70    74   100.00000  109.52600
   69    73    77    90.00000  108.12000
   69    87    83    95.00000  106.08000
   73    77    83    80.00000  117.16000
   73    77    84    70.00000  120.00000
   77    83    87   120.00000   95.04000
   77    84    85    35.00000  113.50000
   77    84    86    35.00000  113.50000
   87    69    73    85.00000  114.42000
   84    77    83    70.00000  123.00000
   86    84    85    35.00000  109.00000
   70    66    69    65.00000  124.33800
   70    74    78   110.00000  106.71400
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    65.00000  125.09000
   38    45    65    70.00000  114.00000
   40    38    39    33.00000  107.80000
   45    38    39    50.00000  107.70000
   45    38    40    50.00000  107.70000
   45    50    51    45.00000  117.61300
   45    50    55    85.00000  109.61400
   45    65    62    80.00000  116.60800
   45    65    67    65.00000  128.71400
   50    55    56    35.00000  130.70000
   50    55    62    70.00000  106.30000
   55    50    51    35.00000  128.20000
   55    62    65    80.00000  113.80000
   55    62    82    56.00000  113.10000
   62    55    56    35.00000  121.60000
   62    65    67    60.00000  128.22000
   62    82    75   110.00000  103.73000
   65    45    50    85.00000  110.55600
   65    67    68    40.00000  119.43200
   65    67    71    70.00000  116.43900
   67    71    72    40.00000  119.50000
   67    71    75    65.00000  119.42000
   71    67    68    40.00000  122.81700
   71    75    76    40.00000  119.95700
   71    75    82    65.00000  126.21000
   75    71    72    40.00000  119.95700
   82    62    65    75.00000  115.00000
   82    75    76    50.00000  116.56000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    54   0.56750  1.0 1.0
   29    33    57    54  -0.07550 -1.0 2.0
   29    33    57    54   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   1.10250  1.0 1.0
   33    38    45    50   0.01650 -1.0 2.0
   33    38    45    50   0.39100  1.0 3.0
   33    38    45    65   1.10250  1.0 1.0
   33    38    45    65   0.01650 -1.0 2.0
   33    38    45    65   0.39100  1.0 3.0
   37    33    57    54   0.56750  1.0 1.0
   37    33    57    54  -0.07550 -1.0 2.0
   37    33    57    54   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    48    54    57   0.01700  1.0 1.0
   41    48    54    57  -0.23550 -1.0 2.0
   41    48    54    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    63  -0.42300  1.0 1.0
   46    52    60    63  -0.07000 -1.0 2.0
   46    52    60    63   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   52    48    54    57   0.25150  1.0 1.0
   52    48    54    57  -1.17200 -1.0 2.0
   52    48    54    57   0.53050  1.0 3.0
   52    60    63    64   3.04450 -1.0 2.0
   52    60    63    66   1.49850  1.0 1.0
   52    60    63    66   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    63   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    63  -0.43950  1.0 1.0
   48    52    60    63  -0.08100 -1.0 2.0
   48    52    60    63   0.03350  1.0 3.0
   48    54   -57    33  -0.25000 -1.0 2.0
   48    54   -57    33  -0.01800  1.0 3.0
   48    54    57    58   0.32350  1.0 3.0
   48    54    57    59   0.32350  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45  -0.64600  1.0 1.0
   57    33    38    45   0.58400 -1.0 2.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    54   0.00000  1.0 1.0
   60    63    66    69   1.50000 -1.0 2.0
   60    63    66    70   1.50000 -1.0 2.0
   61    60    63    64   2.45000 -1.0 2.0
   61    60    63    66   2.56700 -1.0 2.0
   63    66    69    73   0.30050 -1.0 2.0
   63    66    69    73   0.16600  1.0 3.0
   63    66    69    87   0.30050 -1.0 2.0
   63    66    69    87   0.16600  1.0 3.0
   63    66    70    74   6.00000 -1.0 2.0
   64    63    66    69   1.00000 -1.0 2.0
   64    63    66    70   1.00000 -1.0 2.0
   66    69    73    77   3.62500 -1.0 2.0
   66    69    87    83   3.62500 -1.0 2.0
   66    70    74    78   1.50000 -1.0 2.0
   69    66    70    74   6.00000 -1.0 2.0
   69    73   -77    83   3.62500 -1.0 2.0
   69    73    77    84   3.62500 -1.0 2.0
   73    69   -87    83   3.62500 -1.0 2.0
   73    77   -83    87   3.62500 -1.0 2.0
   73    77    84    85   1.75000 -1.0 2.0
   73    77    84    86   1.75000 -1.0 2.0
   77    83   -87    69   3.62500 -1.0 2.0
   83    77    84    85   0.47600 -1.0 2.0
   83    77    84    86   0.47600 -1.0 2.0
   87    69   -73    77   3.62500 -1.0 2.0
   84    77    83    87   3.62500 -1.0 2.0
   70    66    69    73   1.02250 -1.0 2.0
   70    66    69    87   1.02250 -1.0 2.0
   70    74    78    79   0.37500  1.0 3.0
   70    74    78    80   0.37500  1.0 3.0
   70    74    78    81   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    54   0.44750  1.0 1.0
   38    33    57    54  -0.17800 -1.0 2.0
   38    33    57    54   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.62500 -1.0 2.0
   38    45    50    55   3.62500 -1.0 2.0
   38    45    65    62   3.62500 -1.0 2.0
   38    45    65    67   3.62500 -1.0 2.0
   39    38    45    50   0.00000  1.0 1.0
   39    38    45    65   0.00000  1.0 1.0
   40    38    45    50   0.00000  1.0 1.0
   40    38    45    65   0.00000  1.0 1.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50   -55    62   3.62500 -1.0 2.0
   45    65    67    68   3.62500 -1.0 2.0
   45    65    67    71   3.62500 -1.0 2.0
   50    45   -65    62   3.62500 -1.0 2.0
   50    45    65    67   3.62500 -1.0 2.0
   50    55   -62    65   3.62500 -1.0 2.0
   50    55    62    82   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    62   5.37500 -1.0 2.0
   55    62   -65    45   3.62500 -1.0 2.0
   55    62    65    67   3.62500 -1.0 2.0
   55    62    82    75   3.62500 -1.0 2.0
   56    55    62    65   3.62500 -1.0 2.0
   56    55    62    82   3.62500 -1.0 2.0
   62    65    67    68   3.62500 -1.0 2.0
   62    65    67    71   3.62500 -1.0 2.0
   65    45    50    51   3.62500 -1.0 2.0
   65    45   -50    55   3.62500 -1.0 2.0
   65    62    82    75   3.62500 -1.0 2.0
   65    67    71    72   3.62500 -1.0 2.0
   65    67   -71    75   3.62500 -1.0 2.0
   67    71    75    76   3.62500 -1.0 2.0
   67    71    75    82   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    75   3.62500 -1.0 2.0
   71    75   -82    62   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    82   3.62500 -1.0 2.0
   76    75    82    62   3.62500 -1.0 2.0
   82    62    65    45   3.62500 -1.0 2.0
   82    62   -65    67   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    63    60    52   1.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
   63    69    66    70  10.50000 -1.0 2.0
   73    87    69    66   4.00000 -1.0 2.0
   84    83    77    73   4.00000 -1.0 2.0
   86    77    84    85   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   50    65    45    38   4.00000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   65    82    62    55   4.00000 -1.0 2.0
   62    67    65    45   4.00000 -1.0 2.0
   71    68    67    65   1.10000 -1.0 2.0
   75    72    71    67   1.10000 -1.0 2.0
   82    76    75    71   1.10000 -1.0 2.0
END
