* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    156    237     439
    1     0 S   NP   _N1_     1    28.93210    95.04565   -16.84576
    2     1 S   H    _HN1     2     1.03091   103.38901    36.83268
    3     1 S   H    _H1_     3     1.02826    44.95785   137.45028
    4     1 S   H    _H2_     4     1.02765    66.55935   -67.52654
    5     1 S   CT   _CA1     5     1.50083   143.69884  -163.73156
    6     5 S   HC   _HA1     6     1.09561   105.27769    17.90001
    7     5 S   CO3  _C1_     7     1.53794   112.18580  -102.51457
    8     7 S   O2Z  _O11     8     1.26353   115.00332   -47.60459
    9     7 S   O2Z  _O12     9     1.26222   114.92692   131.51968
   10     5 S   CT   _CB1    10     1.52999   107.53635   135.89825
   11    10 S   HC   HB11    11     1.09798   109.58580   -48.61428
   12    10 S   HC   HB12    12     1.09690   110.29279    68.17259
   13    10 S   CT   _CG1    13     1.53002   112.77702  -170.03238
   14    13 S   HC   HG11    14     1.09542   110.25252   -58.02166
   15    13 S   HC   HG12    15     1.09592   110.37698    61.13844
   16    13 S   C    _CD1    16     1.51804   111.51446  -178.99070
   17    16 S   O    _OE1    17     1.22766   122.89578   -22.51608
   18    16 S   N    _N2_    18     1.38530   112.04307   158.51513
   19    18 S   H    _HN2    19     1.01562   119.17661     2.14137
   20    18 S   CT1  _CA2    20     1.46310   123.27535  -175.46469
   21    20 S   HC   _HA2    21     1.09733   109.44888   -13.36525
   22    20 S   C    _C2_    22     1.53324   108.34289  -129.23244
   23    22 S   O    _O2_    23     1.23000   122.33875  -145.07275
   24    20 S   CT   _CB2    32     1.53607   111.00978   108.56888
   25    24 S   HC   HB21    33     1.09254   109.01214    57.40317
   26    24 S   HC   HB22    34     1.09514   110.44072   175.48707
   27    22 S   N    _N3_    24     1.38540   113.29783    42.31358
   28    27 S   H    _HN3    25     1.01528   118.88758    -0.50046
   29    24 S   S    _SG2    35     1.82939   110.94585   -65.57066
   30    27 S   CT   _CA3    26     1.45435   123.34592   175.02476
   31    30 S   HC   HA31    27     1.09531   109.08233    27.15162
   32    30 S   HC   HA32    28     1.09490   107.15491   144.14224
   33    29 S   CT   _C9_    36     1.90191   103.38105   150.19947
   34    30 S   CO3  _C3_    29     1.52943   113.24990   -96.20920
   35    34 S   O2Z  _O31    30     1.26393   115.47644   -42.68834
   36    34 S   O2Z  _O32    31     1.26367   114.93207   138.25522
   37    33 S   CM   _C14    37     1.55170   104.72404   170.85759
   38    33 S   CT   _C8_    72     1.55500   108.37538    50.79301
   39    38 S   HC   _H8_    73     1.09584   111.66317    56.83841
   40    38 S   HC   _H9_    74     1.09428   109.90293   -61.47889
   41    37 S   N4   _N7_    38     1.36467   119.49763    97.01560
   42    37 S   CMA  _C15    69     1.53512   120.67790   -73.68044
   43    42 S   OM   _O36    70     1.26334   120.00581  -103.76497
   44    42 S   OM   _O37    71     1.26358   121.49722    77.64047
   45    38 S   S    _S1_    75     1.83531   114.50874   179.41216
   46    41 S   C4   _C13    39     1.35342   136.74206  -163.24367
   47    46 S   O    _O35    40     1.20867   134.58079    -5.05610
   48    41 S   C4T  _C11    43     1.45013   126.60191    23.10709
   49    48 S   HC   _H3_    44     1.09790   111.90262    77.53678
   50    45 S   CDX  _C5_    76     1.77256    98.17633   160.50770
   51    46 S   C4T  _C12    41     1.57121    89.36711   170.50533
   52    51 S   HC   _H4_    42     1.09455   114.11798   127.46785
   53    48 S   S    _S2_    45     1.80548   111.06619   -50.46592
   54    50 S   NI   _N5_    77     1.29480   115.04364    87.34865
   55    33 S   CT   _C10    46     1.56147   107.12890   -67.84780
   56    55 S   HC   _H10    47     1.09302   112.41904    54.52424
   57    55 S   HC   _H11    48     1.09536   110.79046   172.18716
   58    51 S   N    _N8_    49     1.47946   112.96073  -103.04835
   59    58 S   H    _H12    50     1.01914   118.97218   107.09245
   60    54 S   C    _C6_    78     1.37326   115.49690   178.51049
   61    60 S   O    _O33    79     1.22872   122.54870  -177.57045
   62    58 S   C    _C16    51     1.37842   122.45908   -64.89297
   63    62 S   O    _O38    52     1.22058   128.51098   -13.07103
   64    60 S   C    _C7_    80     1.51878   122.22490     2.63165
   65    64 S   O    _O34    81     1.22496   117.64176  -169.08404
   66    62 S   CD   _C17    53     1.50748   112.57563   162.92377
   67    64 S   NM   _N6_    82     1.32957   115.64407    14.06773
   68    66 S   C5B  _C19    54     1.45377   118.56498   -74.58537
   69    66 S   NI   _N9_    63     1.29798   122.49283   105.14037
   70    50 S   NE   _N4_    83     1.38113   118.58757   -93.19454
   71    68 S   C5A  _C20    55     1.38086   126.31031  -174.87100
   72    71 S   HA   _H16    56     1.08069   128.96140     1.11943
   73    69 S   OS   _O39    64     1.40198   111.01554    -0.26541
   74    70 S   CT   _C4_    84     1.45032   127.10323     0.44323
   75    74 S   HC   _H5_    85     1.09522   110.61008    70.78909
   76    74 S   HC   _H6_    86     1.09496   111.03980   -50.18149
   77    74 S   HC   _H7_    87     1.09644   111.63949  -168.99008
   78    71 S   SA   _S3_    57     1.71389   110.02377  -178.51089
   79    73 S   CT   _C18    65     1.41912   108.39170   178.11218
   80    79 S   HC   _H13    66     1.09314   108.46666  -178.75024
   81    79 S   HC   _H14    67     1.09408   110.34427    62.28838
   82    79 S   HC   _H15    68     1.09441   110.39410   -59.71051
   83    78 S   CRA  _C21    58     1.72321    90.03593    -0.10653
   84    68 S   N5B  _N10    59     1.38668   119.36250     6.05709
   85    83 S   NE   _N11    60     1.34576   120.88610   179.52563
   86    85 S   H    _H17    61     1.01909   121.27269  -178.18049
   87    85 S   H    _H18    62     1.01300   122.48082    -1.25772
  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
  16   2   1   1  17  12   4   3  12   5   1   1   7   9   4  10
   5  10   8   4   4   7   2   1   1   6   3   5   3   7   3   4
   2   9   5   8   7   4   5   3   4   3   2   1   1   5   3   2
   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    55    56    57    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    53    55    56    57    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    51    48    49    53    55    56    57    42    43    44    38    39    40    45  
   39    40    45    50    54    70    41    42    53    55    56    57  
   40    45    50    55  
   45    50    55  
   46    47    51    52    48    49    53    55    58    42    43    44  
   43    44    46    48    55  
   44  
    0  
   50    54    60    67    70    74    55  
   47    51    52    48    49    53    58    59    62  
   51    52    48    58  
   49    53    55    56    57    58    59    62    51    52  
   53    55    58    51    52  
   54    60    61    64    67    70    74    75    76    77  
   52    53    55    58    59    62    63    66  
   53    58    59    62  
   55    56    57    58  
   60    61    64    65    67    70    74  
   56    57  
   57  
    0  
   59    62    63    66    68    69  
   62    63    66  
   61    64    65    67    70  
   64    65    67  
   63    66    68    71    84    69    73  
   66    68    69  
   65    67    70    74  
   67    70  
   68    71    72    78    83    84    69    73    79  
   70    74    75    76    77  
   71    72    78    83    84    85    69    73  
   73    79    80    81    82    71    84  
   74    75    76    77  
   72    78    83    84    85  
   78    83    84  
   79    80    81    82  
   75    76    77  
   76    77  
   77  
    0  
   83    84    85    86    87  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.047500   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   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   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   3.7500   0.1050   0.341500   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   55   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.345000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   67   3.4200   0.1700  -1.122500   1.9310   1.7100   0.005000000   0.000000000
   68   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   69   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   70   3.2500   0.1700  -0.097500   1.9050   1.6860   0.051222218  -2.220205820
   71   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   79   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   84   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   85   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    55   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    51   250.000  1.540
   51    52   340.000  1.090
   51    48   268.000  1.529
   51    58   337.000  1.449
   48    49   340.000  1.090
   48    53   200.000  1.824
   53    55   222.000  1.810
   55    56   340.000  1.090
   55    57   340.000  1.090
   58    59   434.000  1.010
   58    62   490.000  1.335
   62    63   570.000  1.229
   62    66   270.000  1.486
   66    68   305.000  1.466
   66    69   500.000  1.261
   68    71   520.000  1.370
   68    84   410.000  1.394
   71    72   367.000  1.080
   71    78   265.000  1.745
   78    83   250.000  1.765
   83    84   488.000  1.335
   83    85   420.000  1.385
   85    86   434.000  1.010
   85    87   434.000  1.010
   69    73   320.000  1.394
   73    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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   222.000  1.810
   45    50   215.000  1.812
   50    54   650.000  1.285
   50    70   445.000  1.380
   54    60   415.000  1.368
   60    61   570.000  1.229
   60    64   245.000  1.528
   64    65   570.000  1.229
   64    67   495.000  1.346
   67    70   275.000  1.374
   70    74   382.000  1.448
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
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    55    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    55    53    75.00000  111.63000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   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    51    95.00000   92.72400
   41    48    51   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    53    80.00000  108.62000
   46    51    52    40.00000  113.37500
   46    51    48   100.00000   86.36000
   46    51    58    75.00000  110.24000
   51    46    47    60.00000  136.58000
   51    48    49    37.50000  110.70000
   51    48    53    65.00000  119.05700
   51    58    59    38.00000  118.40000
   51    58    62    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    51    52    37.50000  110.70000
   48    53    55    85.00000   99.86700
   53    48    49    45.00000  109.41400
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   55    33    37    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    51    52    50.00000  112.01000
   58    51    48    80.00000  110.05700
   58    62    63    80.00000  122.90000
   58    62    66    75.00000  109.57000
   62    58    59    35.00000  119.80000
   62    66    68    75.00000  114.44000
   62    66    69    65.00000  123.79500
   66    62    63    80.00000  120.45000
   66    68    71    60.00000  121.09900
   66    68    84    60.00000  126.00000
   66    69    73   100.00000  109.52600
   68    71    72    35.00000  130.70000
   68    71    78    80.00000  111.29200
   68    84    83    70.00000  110.00000
   71    78    83   120.00000   89.04400
   78    71    72    40.00000  122.38200
   78    83    84    80.00000  114.57700
   78    83    85    70.00000  122.29500
   83    85    86    35.00000  113.50000
   83    85    87    35.00000  113.50000
   84    68    71    70.00000  111.00000
   85    83    84    75.00000  125.31200
   87    85    86    35.00000  109.00000
   69    66    68    65.00000  124.33800
   69    73    79   110.00000  106.71400
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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    55    58.35000  112.70000
   38    45    50    90.00000  100.00000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    54    65.00000  128.43400
   45    50    70    85.00000  112.68500
   50    54    60    75.00000  109.13600
   50    70    67    80.00000  116.00000
   50    70    74    50.00000  119.50000
   54    60    61    80.00000  126.08800
   54    60    64    70.00000  115.00000
   60    64    65    80.00000  118.85000
   60    64    67    65.00000  124.27000
   64    60    61    80.00000  118.85000
   64    67    70    90.00000  112.00000
   67    64    65    85.00000  128.94100
   67    70    74    75.00000  123.50000
   70    50    54    75.00000  124.36500
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    55    53   0.56750  1.0 1.0
   29    33    55    53  -0.07550 -1.0 2.0
   29    33    55    53   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   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   0.00000  1.0 1.0
   37    33    55    53   0.56750  1.0 1.0
   37    33    55    53  -0.07550 -1.0 2.0
   37    33    55    53   0.20000  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   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    51   3.00000 -1.0 2.0
   37    41   -48    51   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    53   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    51    52   0.00000  1.0 1.0
   41    46   -51    48   3.00000 -1.0 2.0
   41    46    51    58   0.00000  1.0 1.0
   41    48    53    55   0.01700  1.0 1.0
   41    48    53    55  -0.23550 -1.0 2.0
   41    48    53    55   0.21350  1.0 3.0
   46    41   -48    51   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    53   0.00000  1.0 1.0
   46    51   -48    41   3.00000 -1.0 2.0
   46    51   -48    49   0.15000  1.0 3.0
   46    51   -48    53   0.00000  1.0 1.0
   46    51    58    59   0.00000  1.0 1.0
   46    51    58    62  -0.42300  1.0 1.0
   46    51    58    62  -0.07000 -1.0 2.0
   46    51    58    62   0.04150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    48  -0.11250  1.0 1.0
   47    46    51    48   0.11400 -1.0 2.0
   47    46    51    48  -0.28950  1.0 3.0
   47    46    51    58   0.30150 -1.0 2.0
   51    48    53    55   0.25150  1.0 1.0
   51    48    53    55  -1.17200 -1.0 2.0
   51    48    53    55   0.53050  1.0 3.0
   51    58    62    63   3.04450 -1.0 2.0
   51    58    62    66   1.49850  1.0 1.0
   51    58    62    66   1.53950 -1.0 2.0
   52    51   -48    41   0.15000  1.0 3.0
   52    51    48    49   0.15000  1.0 3.0
   52    51    48    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    62   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    51   3.00000 -1.0 2.0
   48    51    58    59   0.00000  1.0 1.0
   48    51    58    62  -0.43950  1.0 1.0
   48    51    58    62  -0.08100 -1.0 2.0
   48    51    58    62   0.03350  1.0 3.0
   48    53   -55    33  -0.25000 -1.0 2.0
   48    53   -55    33  -0.01800  1.0 3.0
   48    53    55    56   0.32350  1.0 3.0
   48    53    55    57   0.32350  1.0 3.0
   49    48    53    55   0.00000  1.0 1.0
   55    33   -37    41  -0.93550  1.0 1.0
   55    33   -37    41   0.38900 -1.0 2.0
   55    33   -37    41   0.16950  1.0 3.0
   55    33    37    42   0.09850  1.0 1.0
   55    33    37    42   0.15250 -1.0 2.0
   55    33    37    42  -0.50650  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33    38    45   0.44750  1.0 1.0
   55    33    38    45  -0.17800 -1.0 2.0
   55    33    38    45   0.20200  1.0 3.0
   58    51   -48    41   2.20050  1.0 1.0
   58    51   -48    41   0.63450 -1.0 2.0
   58    51   -48    41  -0.91300  1.0 3.0
   58    51    48    49   0.15000  1.0 3.0
   58    51    48    53   0.00000  1.0 1.0
   58    62    66    68   1.50000 -1.0 2.0
   58    62    66    69   1.50000 -1.0 2.0
   59    58    62    63   2.45000 -1.0 2.0
   59    58    62    66   2.56700 -1.0 2.0
   62    66    68    71   0.30050 -1.0 2.0
   62    66    68    71   0.16600  1.0 3.0
   62    66    68    84   0.30050 -1.0 2.0
   62    66    68    84   0.16600  1.0 3.0
   62    66    69    73   6.00000 -1.0 2.0
   63    62    66    68   1.00000 -1.0 2.0
   63    62    66    69   1.00000 -1.0 2.0
   66    68    71    72   3.62500 -1.0 2.0
   66    68    71    78   3.62500 -1.0 2.0
   66    68    84    83   3.62500 -1.0 2.0
   66    69    73    79   1.50000 -1.0 2.0
   68    66    69    73   6.00000 -1.0 2.0
   68    71   -78    83   3.62500 -1.0 2.0
   71    68   -84    83   2.40000 -1.0 2.0
   71    78   -83    84   3.62500 -1.0 2.0
   71    78    83    85   3.62500 -1.0 2.0
   72    71    78    83   3.62500 -1.0 2.0
   78    83   -84    68   3.62500 -1.0 2.0
   78    83    85    86   0.47600 -1.0 2.0
   78    83    85    87   0.47600 -1.0 2.0
   84    68    71    72   3.62500 -1.0 2.0
   84    68   -71    78   3.62500 -1.0 2.0
   84    83    85    86   1.75000 -1.0 2.0
   84    83    85    87   1.75000 -1.0 2.0
   85    83    84    68   3.62500 -1.0 2.0
   69    66    68    71   1.02250 -1.0 2.0
   69    66    68    84   1.02250 -1.0 2.0
   69    73    79    80   0.37500  1.0 3.0
   69    73    79    81   0.37500  1.0 3.0
   69    73    79    82   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    55    53   0.44750  1.0 1.0
   38    33    55    53  -0.17800 -1.0 2.0
   38    33    55    53   0.20200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    45    50    54   2.00000 -1.0 2.0
   38    45    50    70   2.00000 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    54    60   6.00000 -1.0 2.0
   45    50    70    67   1.00000 -1.0 2.0
   45    50    70    74   1.00000 -1.0 2.0
   50    54    60    61   3.09300 -1.0 2.0
   50    54    60    64   1.50000 -1.0 2.0
   50    70    74    75   0.00000  1.0 1.0
   50    70    74    76   0.00000  1.0 1.0
   50    70    74    77   0.00000  1.0 1.0
   54    50    70    67   1.00000 -1.0 2.0
   54    50    70    74  -0.86000  1.0 1.0
   54    50    70    74   0.84650 -1.0 2.0
   54    60    64    65   0.03000  1.0 1.0
   54    60    64    65   0.58800 -1.0 2.0
   54    60    64    65   0.15550  1.0 3.0
   54    60   -64    67   0.43900  1.0 1.0
   54    60   -64    67  -0.18150 -1.0 2.0
   54    60   -64    67  -0.03650  1.0 3.0
   60    64    67    70   2.45000 -1.0 2.0
   61    60    64    65   0.06100 -1.0 2.0
   61    60    64    67   0.03000  1.0 1.0
   61    60    64    67   0.58800 -1.0 2.0
   61    60    64    67   0.15550  1.0 3.0
   64    67   -70    50   0.00000  1.0 1.0
   64    67    70    74   0.00000  1.0 1.0
   65    64    67    70   2.45000 -1.0 2.0
   67    70    74    75   0.00000  1.0 1.0
   67    70    74    76   0.00000  1.0 1.0
   67    70    74    77   0.00000  1.0 1.0
   70    50   -54    60   6.00000 -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    51    46    47  10.50000 -1.0 2.0
   59    62    58    51   1.00000 -1.0 2.0
   58    66    62    63  10.50000 -1.0 2.0
   62    68    66    69  10.50000 -1.0 2.0
   71    84    68    66   4.00000 -1.0 2.0
   78    72    71    68   1.10000 -1.0 2.0
   84    85    83    78   4.00000 -1.0 2.0
   87    83    85    86   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    70    50    54  10.50000 -1.0 2.0
   54    64    60    61  10.50000 -1.0 2.0
   60    67    64    65  10.50000 -1.0 2.0
   74    50    70    67   1.00000 -1.0 2.0
END
