* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    223     421
    1     0 S   NP   _N1_     1    28.15713    96.93843   -22.87617
    2     1 S   H    _HN1     2     1.02773   105.77902  -127.05643
    3     1 S   H    _H1_     3     1.02952    77.42468   -21.23717
    4     1 S   H    _H2_     4     1.02830    32.46253   134.22946
    5     1 S   CT   _CA1     5     1.50112   135.38123    85.11830
    6     5 S   HC   _HA1     6     1.09573   105.21566    84.79872
    7     5 S   CO3  _C1_     7     1.53850   112.51833   -35.39833
    8     7 S   O2Z  _O11     8     1.26377   114.97924   -40.41646
    9     7 S   O2Z  _O12     9     1.26257   114.99511   138.81613
   10     5 S   CT   _CB1    10     1.53123   107.43256  -157.18789
   11    10 S   HC   HB11    11     1.09819   109.50570   -49.99182
   12    10 S   HC   HB12    12     1.09813   110.37344    66.69222
   13    10 S   CT   _CG1    13     1.52914   112.46928  -171.01655
   14    13 S   HC   HG11    14     1.09558   110.29173   -64.23617
   15    13 S   HC   HG12    15     1.09659   109.90515    54.93494
   16    13 S   C    _CD1    16     1.51750   112.60557   175.77321
   17    16 S   O    _OE1    17     1.22746   123.37875     4.45676
   18    16 S   N    _N2_    18     1.38521   111.59932  -176.10328
   19    18 S   H    _HN2    19     1.01813   119.00023     3.60902
   20    18 S   CT1  _CA2    20     1.45630   122.92510  -179.95154
   21    20 S   HC   _HA2    21     1.09711   108.82690    29.35347
   22    20 S   C    _C2_    22     1.53014   107.75479   -88.33993
   23    22 S   O    _O2_    23     1.22936   123.11411   -23.11845
   24    20 S   CT   _CB2    32     1.53162   112.21209   152.61405
   25    24 S   HC   HB21    33     1.09555   109.76883    58.42227
   26    24 S   HC   HB22    34     1.09436   109.98338   176.77232
   27    22 S   N    _N3_    24     1.38718   112.19952   160.46915
   28    27 S   H    _HN3    25     1.01490   119.67153    -1.38338
   29    24 S   S    _SG2    35     1.82471   112.36369   -62.62472
   30    27 S   CT   _CA3    26     1.45384   122.68541   171.40867
   31    30 S   HC   HA31    27     1.09539   108.87726    33.30408
   32    30 S   HC   HA32    28     1.09469   107.16680   150.59363
   33    29 S   CT   _C10    36     1.84560    98.79240   172.86617
   34    33 S   HC   _H3_    37     1.09649   107.45868   -36.43062
   35    30 S   CO3  _C3_    29     1.53265   113.86450   -89.24548
   36    35 S   O2Z  _O31    30     1.26385   116.24218   -19.33226
   37    35 S   O2Z  _O32    31     1.26478   114.37897   161.37350
   38    33 S   CA   _C9_    38     1.52031   110.31300    81.18682
   39    33 S   CT   _C11    51     1.54122   110.33506  -153.37447
   40    39 S   HC   _H10    52     1.09705   110.67230   -54.62335
   41    39 S   HC   _H11    53     1.09780   109.09534  -172.71708
   42    38 S   CA   _C4_    39     1.40489   122.08330    76.34617
   43    42 S   HA   _H7_    40     1.08700   120.68122     0.33920
   44    39 S   CO4  _C12    54     1.51770   116.27422    67.74453
   45    44 S   O    _O33    55     1.22585   122.40481  -164.20034
   46    42 S   CA   _C5_    41     1.39748   120.86041  -179.17386
   47    46 S   HA   _H8_    42     1.08627   119.29576  -179.83929
   48    44 S   OS   _O34    56     1.35727   112.00123    18.42427
   49    46 S   CA   _C6_    43     1.39267   119.79136     0.56579
   50    48 S   CT   _C13    57     1.44547   118.49880   176.18094
   51    50 S   HC   _H4_    58     1.09689   109.18568    31.57559
   52    49 S   CA   _C7_    44     1.39123   120.09911     0.11703
   53    49 S   OH   _O41    49     1.36698   120.49218   179.72164
   54    53 S   HO   _H20    50     0.97198   108.73972     0.17914
   55    50 S   CT   _C14    59     1.53463   109.42114   -89.53467
   56    55 S   HC   _H12    60     1.09732   108.91504    55.79314
   57    55 S   HC   _H13    61     1.09713   108.14725   172.30767
   58    38 S   CA   _C8_    45     1.40605   119.39715  -102.09165
   59    58 S   HA   _H9_    46     1.08784   119.82608    -0.71217
   60    52 S   OH   _O40    47     1.36743   119.37028   179.04509
   61    60 S   HO   _H19    48     0.97272   108.72796  -174.04122
   62    55 S   CT   _C15    62     1.53757   113.11935   -65.34272
   63    62 S   CT   _C16    63     1.53393   111.41277   -51.74464
   64    63 S   HC   _H14    64     1.09893   110.23583   -70.94471
   65    63 S   HC   _H15    65     1.09843   110.79485   172.63817
   66    62 S   CO3  _C19    74     1.55299   113.71323  -172.36208
   67    66 S   O2Z  _O38    75     1.26227   116.37993    14.75984
   68    66 S   O2Z  _O37    76     1.26697   114.56841  -165.33950
   69    62 S   OH   _O39    77     1.43365   108.90438    68.21921
   70    69 S   HO   _H18    78     0.97474   107.03835   168.34932
   71    63 S   CT   _C17    66     1.53197   112.85154    51.43193
   72    71 S   HC   _H5_    67     1.09568   110.90498    69.52663
   73    50 S   CT   _C18    68     1.53391   108.24113   149.90346
   74    73 S   HC   _H6_    69     1.09720   110.16971  -173.80464
   75    71 S   OH   _O36    72     1.42886   108.63214  -173.27979
   76    75 S   HO   _H17    73     0.97259   107.36913   -62.57708
   77    73 S   OH   _O35    70     1.42853   109.45240   -56.70668
   78    77 S   HO   _H16    71     0.97311   107.32728   -60.91218
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  15   8   6   3   1  15   6   5   3   1   1   1  12  14   7
   6   5   2   1   2   1   7   5   5   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    58    59    60    39    40    41    44  
   40    41    44    45    48    50    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    58    59    53  
   46    47    49    58  
   45    48    50    51    55    73  
   48    50  
   47    49    52    58    60    53    54  
   49    52    53  
   50    51    55    56    57    62    71    73    74    77  
   52    58    59    60    61    53    54  
   51    55    56    57    62    63    71    72    73    74    77    78    75    66    69  
   55    56    57    62    71    73    74    77  
   58    59    60    61    53    54  
   54    58    60  
    0  
   56    57    62    63    64    65    71    73    74    77    66    67    68    69    70  
   57    62    63    73    66    69  
   62    63    73    66    69  
   59    60    61  
   60  
   61  
    0  
   63    64    65    71    72    73    75    66    67    68    69    70  
   64    65    71    72    73    74    77    75    76    66    67    68    69    70  
   65    71    72    73    75    66    69  
   71    72    73    75    66    69  
   67    68    69    70    71  
   68    69  
   69  
   70    71  
    0  
   72    73    74    77    78    75    76  
   73    74    77    75    76  
   74    77    78    75    76  
   77    78    75  
   76    77  
    0  
   78  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    58   469.000  1.400
   52    60   450.000  1.364
   58    59   367.000  1.080
   60    61   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    73   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   268.000  1.529
   62    66   317.000  1.522
   62    69   320.000  1.410
   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    73   268.000  1.529
   71    75   320.000  1.410
   73    74   340.000  1.090
   73    77   320.000  1.410
   77    78   553.000  0.945
   75    76   553.000  0.945
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    52    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    52    60    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    58    59    35.00000  120.00000
   52    60    61    35.00000  113.00000
   58    38    42    63.00000  120.00000
   60    52    58    70.00000  120.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    73    50.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    62    58.35000  112.70000
   50    73    71    58.35000  112.70000
   50    73    74    37.50000  110.70000
   50    73    77    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    62    63    58.35000  112.70000
   55    62    66    70.00000  109.69300
   55    62    69    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    71    58.35000  112.70000
   62    66    67    70.00000  117.00000
   62    66    68    70.00000  117.00000
   62    69    70    55.00000  108.50000
   63    71    72    37.50000  110.70000
   63    71    73    58.35000  112.70000
   63    71    75    50.00000  109.50000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    77    50.00000  109.50000
   71    75    76    55.00000  108.50000
   73    50    51    37.50000  110.70000
   73    50    55    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    77    78    55.00000  108.50000
   77    73    74    35.00000  109.50000
   75    71    72    35.00000  109.50000
   75    71    73    50.00000  109.50000
   66    62    63    70.00000  109.69300
   68    66    67    80.00000  126.00000
   69    62    63    50.00000  109.50000
   69    62    66    95.00000  109.52300
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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    52   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    52   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    58   3.62500 -1.0 2.0
   46    49    52    60   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -58    38   3.62500 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   49    52    60    61   0.84100 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   58    52    60    61   0.84100 -1.0 2.0
   60    52    58    38   3.62500 -1.0 2.0
   60    52    58    59   3.62500 -1.0 2.0
   53    49    52    58   3.62500 -1.0 2.0
   53    49    52    60   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    73  -0.25900  1.0 1.0
   44    48    50    73  -0.47000 -1.0 2.0
   44    48    50    73   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    57   0.23400  1.0 3.0
   48    50    55    62   0.62750  1.0 1.0
   48    50    55    62  -0.30950 -1.0 2.0
   48    50    55    62   0.27300  1.0 3.0
   48    50    73    71   0.62750  1.0 1.0
   48    50    73    71  -0.30950 -1.0 2.0
   48    50    73    71   0.27300  1.0 3.0
   48    50    73    74   0.23400  1.0 3.0
   48    50    73    77   3.69350  1.0 1.0
   48    50    73    77  -1.82950 -1.0 2.0
   50    55    62    63   0.56750  1.0 1.0
   50    55    62    63  -0.07550 -1.0 2.0
   50    55    62    63   0.20000  1.0 3.0
   50    55    62    66  -1.63150  1.0 1.0
   50    55    62    66  -0.43550 -1.0 2.0
   50    55    62    66   0.24500  1.0 3.0
   50    55    62    69   0.86500  1.0 1.0
   50    55    62    69  -0.17500 -1.0 2.0
   50    55    62    69   0.20800  1.0 3.0
   50    73    77    78  -0.11600  1.0 1.0
   50    73    77    78  -0.09450 -1.0 2.0
   50    73    77    78   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    62   0.15000  1.0 3.0
   51    50    73    71   0.15000  1.0 3.0
   51    50    73    74   0.15000  1.0 3.0
   51    50    73    77   0.23400  1.0 3.0
   55    50    73    71   0.56750  1.0 1.0
   55    50    73    71  -0.07550 -1.0 2.0
   55    50    73    71   0.20000  1.0 3.0
   55    50    73    74   0.15000  1.0 3.0
   55    50    73    77   0.86500  1.0 1.0
   55    50    73    77  -0.17500 -1.0 2.0
   55    50    73    77   0.20800  1.0 3.0
   55    62    63    64   0.15000  1.0 3.0
   55    62    63    65   0.15000  1.0 3.0
   55    62   -63    71   0.56750  1.0 1.0
   55    62   -63    71  -0.07550 -1.0 2.0
   55    62   -63    71   0.20000  1.0 3.0
   55    62    66    67   0.41150 -1.0 2.0
   55    62    66    68   0.41150 -1.0 2.0
   55    62    69    70  -0.11600  1.0 1.0
   55    62    69    70  -0.09450 -1.0 2.0
   55    62    69    70   0.21250  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    66  -0.11250  1.0 3.0
   56    55    62    69   0.23400  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    66  -0.11250  1.0 3.0
   57    55    62    69   0.23400  1.0 3.0
   62    63    71    72   0.15000  1.0 3.0
   62    63    71    73   0.56750  1.0 1.0
   62    63    71    73  -0.07550 -1.0 2.0
   62    63    71    73   0.20000  1.0 3.0
   62    63    71    75   0.86500  1.0 1.0
   62    63    71    75  -0.17500 -1.0 2.0
   62    63    71    75   0.20800  1.0 3.0
   63    62    66    67   0.41150 -1.0 2.0
   63    62    66    68   0.41150 -1.0 2.0
   63    62    69    70  -0.11600  1.0 1.0
   63    62    69    70  -0.09450 -1.0 2.0
   63    62    69    70   0.21250  1.0 3.0
   63    71   -73    50   0.56750  1.0 1.0
   63    71   -73    50  -0.07550 -1.0 2.0
   63    71   -73    50   0.20000  1.0 3.0
   63    71    73    74   0.15000  1.0 3.0
   63    71    73    77   0.86500  1.0 1.0
   63    71    73    77  -0.17500 -1.0 2.0
   63    71    73    77   0.20800  1.0 3.0
   63    71    75    76  -0.11600  1.0 1.0
   63    71    75    76  -0.09450 -1.0 2.0
   63    71    75    76   0.21250  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    75   0.23400  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    75   0.23400  1.0 3.0
   71    73    77    78  -0.11600  1.0 1.0
   71    73    77    78  -0.09450 -1.0 2.0
   71    73    77    78   0.21250  1.0 3.0
   72    71    73    50   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    77   0.23400  1.0 3.0
   72    71    75    76   0.19450  1.0 3.0
   73    50    55    56   0.15000  1.0 3.0
   73    50    55    57   0.15000  1.0 3.0
   73    50   -55    62   0.56750  1.0 1.0
   73    50   -55    62  -0.07550 -1.0 2.0
   73    50   -55    62   0.20000  1.0 3.0
   73    71    75    76  -0.11600  1.0 1.0
   73    71    75    76  -0.09450 -1.0 2.0
   73    71    75    76   0.21250  1.0 3.0
   74    73    77    78   0.19450  1.0 3.0
   75    71    73    50   0.86500  1.0 1.0
   75    71    73    50  -0.17500 -1.0 2.0
   75    71    73    50   0.20800  1.0 3.0
   75    71    73    74   0.23400  1.0 3.0
   75    71    73    77   3.75450  1.0 1.0
   66    62    63    64  -0.11250  1.0 3.0
   66    62    63    65  -0.11250  1.0 3.0
   66    62    63    71  -1.63150  1.0 1.0
   66    62    63    71  -0.43550 -1.0 2.0
   66    62    63    71   0.24500  1.0 3.0
   66    62    69    70   0.91850  1.0 1.0
   66    62    69    70   0.57950  1.0 3.0
   69    62    63    64   0.23400  1.0 3.0
   69    62    63    65   0.23400  1.0 3.0
   69    62    63    71   0.86500  1.0 1.0
   69    62    63    71  -0.17500 -1.0 2.0
   69    62    63    71   0.20800  1.0 3.0
   69    62    66    67   0.30150 -1.0 2.0
   69    62    66    68   0.30150 -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
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   58    60    52    49   4.00000 -1.0 2.0
   52    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   67    62    66    68  10.50000 -1.0 2.0
END
