* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    138    216     394
    1     0 S   NP   _N1_     1    28.98538    97.09008   -19.76633
    2     1 S   H    _HN1     2     1.02845    68.11997    -9.24918
    3     1 S   H    _H1_     3     1.02948    46.95974   135.42064
    4     1 S   H    _H2_     4     1.02808    96.57525  -116.32311
    5     1 S   CT   _CA1     5     1.50601   149.09771    85.93412
    6     5 S   HC   _HA1     6     1.09693   104.50011    99.65926
    7     5 S   CO3  _C1_     7     1.54388   110.79836   -15.98389
    8     7 S   O2Z  _O11     8     1.25986   116.78589  -118.29604
    9     7 S   O2Z  _O12     9     1.26620   113.68304    60.15998
   10     5 S   CT   _CB1    10     1.53096   106.88443  -144.38674
   11    10 S   HC   HB11    11     1.09848   109.86275   -41.70834
   12    10 S   HC   HB12    12     1.09761   110.37928    75.01745
   13    10 S   CT   _CG1    13     1.52958   112.26806  -162.13790
   14    13 S   HC   HG11    14     1.09515   110.99307   -62.86943
   15    13 S   HC   HG12    15     1.09666   109.54218    56.28124
   16    13 S   C    _CD1    16     1.51767   112.18140   176.61505
   17    16 S   O    _OE1    17     1.22758   123.23689     9.93874
   18    16 S   N    _N2_    18     1.38519   111.72077  -170.37026
   19    18 S   H    _HN2    19     1.02046   118.92666     2.49740
   20    18 S   CT1  _CA2    20     1.46200   123.72649  -179.48642
   21    20 S   HC   _HA2    21     1.09741   109.24375     7.22363
   22    20 S   C    _C2_    22     1.53566   109.14944  -108.53898
   23    22 S   O    _O2_    23     1.23112   122.20318  -148.93431
   24    20 S   CT   _CB2    32     1.53562   111.16509   128.95227
   25    24 S   HC   HB21    33     1.09333   108.80508    57.50080
   26    24 S   HC   HB22    34     1.09411   110.22929   176.42286
   27    22 S   N    _N3_    24     1.38353   113.90325    38.93084
   28    27 S   H    _HN3    25     1.01561   119.55497    -4.59602
   29    24 S   S    _SG2    35     1.82862   110.63474   -63.26978
   30    27 S   CT   _CA3    26     1.45271   123.11397   176.88542
   31    30 S   HC   HA31    27     1.09556   107.67302   -60.15996
   32    30 S   HC   HA32    28     1.09561   107.75709    56.19257
   33    29 S   CT   _C6_    36     1.90532   102.44024   178.51800
   34    30 S   CO3  _C3_    29     1.52940   114.25109   178.10163
   35    34 S   O2Z  _O31    30     1.26360   116.16418     0.85866
   36    34 S   O2Z  _O32    31     1.26453   114.38856  -179.17362
   37    33 S   CM   _C11    37     1.55107   104.64323  -175.38790
   38    33 S   CM   _C5_    74     1.52864   105.93454    66.84972
   39    38 S   HC   _H7_    75     1.09072   116.12420    53.25025
   40    37 S   N4   _N4_    38     1.36446   118.32470    86.19613
   41    37 S   CMA  _C12    71     1.52937   121.30270   -83.82245
   42    41 S   OM   _O34    72     1.26382   119.63146  -102.65011
   43    41 S   OM   _O35    73     1.26299   121.59513    77.91611
   44    38 S   CM   _C4_    76     1.34015   128.03312  -126.72440
   45    44 S   HC   _H5_    77     1.08529   119.85710  -179.88297
   46    44 S   HC   _H6_    78     1.08271   122.95434    -0.17471
   47    40 S   C4   _C10    39     1.35203   137.48765  -157.68824
   48    47 S   O    _O33    40     1.20855   134.78958     0.59742
   49    40 S   C4T  _C8_    43     1.45201   125.22527    35.89905
   50    49 S   HC   _H3_    44     1.09827   111.70435    73.03037
   51    47 S   C4T  _C9_    41     1.56459    89.35667   176.55434
   52    51 S   HC   _H4_    42     1.09615   112.57186   127.26305
   53    49 S   S    _S1_    45     1.80122   111.47206   -54.58365
   54    33 S   CT   _C7_    46     1.55670   110.15324   -55.01363
   55    54 S   HC   _H8_    47     1.09377   112.43922    60.93914
   56    54 S   HC   _H9_    48     1.09800   109.90512   178.34933
   57    51 S   N    _N5_    49     1.48071   113.39980  -104.47048
   58    57 S   H    _H10    50     1.01765   119.53386    12.90938
   59    57 S   C    _C13    51     1.37914   122.29906  -167.49241
   60    59 S   O    _O36    52     1.22131   128.17046    -0.83063
   61    59 S   CD   _C14    53     1.50588   113.23812   177.95991
   62    61 S   C5B  _C17    54     1.45304   119.55798   -87.72179
   63    61 S   NI   _N6_    63     1.29766   122.01186    92.85887
   64    62 S   C5A  _C18    55     1.38176   125.50930  -178.61647
   65    64 S   HA   _H13    56     1.08098   128.79118     0.09065
   66    63 S   OS   _O37    64     1.40139   111.67671    -1.23369
   67    64 S   SA   _S2_    57     1.71058   110.22314  -179.64668
   68    66 S   CT   _C15    65     1.42422   108.03324   176.77596
   69    68 S   HC   _H11    66     1.09572   109.62133   -68.65428
   70    68 S   HC   _H12    67     1.09585   110.36097    51.28515
   71    67 S   CRA  _C19    58     1.72278    89.88979    -0.13417
   72    68 S   CO3  _C16    68     1.52327   107.49748   171.69932
   73    72 S   O2Z  _O39    69     1.26348   115.23239    80.24531
   74    72 S   O2Z  _O38    70     1.26410   115.13546  -100.67467
   75    62 S   N5B  _N7_    59     1.38822   120.14503     1.46874
   76    71 S   NE   _N8_    60     1.34647   120.35778   179.98022
   77    76 S   H    _H14    61     1.01402   121.44308  -179.81443
   78    76 S   H    _H15    62     1.01389   121.96296    -0.11535
  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  11   5   4   3
  16   2   1   1  16  10   4  12   5   1   1   3   1   1   9   4
  10   5   8   4   4   2   1   1   6   3   7   3   9   8   7   5
   3   6   5   5   4   3   4   2   1   1   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    53    54    55    56    41    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    47    49    53    54    55    56    41    42    43    38    39    44    45    46  
   35    36  
   36  
    0  
   40    47    48    51    49    50    53    54    55    56    41    42    43    38    39    44  
   39    44    45    46    40    41    53    54    55    56  
   44    45    46    54  
   47    48    51    52    49    50    53    54    57    41    42    43  
   42    43    47    49    54  
   43  
    0  
   45    46    54  
   46  
    0  
   48    51    52    49    50    53    57    58    59  
   51    52    49    57  
   50    53    54    55    56    57    58    59    51    52  
   53    54    57    51    52  
   52    53    54    57    58    59    60    61  
   53    57    58    59  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    64    75    63    66  
   61    62    63  
   62    64    65    67    71    75    63    66    68  
   64    65    67    71    75    76    63    66  
   66    68    69    70    72    64    75  
   65    67    71    75    76  
   67    71    75  
   68    69    70    72    73    74  
   71    75    76    77    78  
   69    70    72    73    74  
   70    72    73    74  
   72    73    74  
   75    76    77    78  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   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   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   63   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   64   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   68   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   76   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   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    54   268.000  1.529
   33    38   317.000  1.510
   37    40   400.000  1.384
   37    41   465.000  1.376
   40    47   440.000  1.369
   40    49   305.000  1.456
   47    48   930.000  1.212
   47    51   250.000  1.540
   51    52   340.000  1.090
   51    49   268.000  1.529
   51    57   337.000  1.449
   49    50   340.000  1.090
   49    53   200.000  1.824
   53    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    59   490.000  1.335
   59    60   570.000  1.229
   59    61   270.000  1.486
   61    62   305.000  1.466
   61    63   500.000  1.261
   62    64   520.000  1.370
   62    75   410.000  1.394
   64    65   367.000  1.080
   64    67   265.000  1.745
   67    71   250.000  1.765
   71    75   488.000  1.335
   71    76   420.000  1.385
   76    77   434.000  1.010
   76    78   434.000  1.010
   63    66   320.000  1.394
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
   41    42   745.000  1.250
   41    43   745.000  1.250
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    46   340.000  1.080
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    54    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  113.82800
   33    37    41    70.00000  124.00000
   33    54    53    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    47    50.00000  132.10000
   37    40    49    50.00000  132.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  137.10300
   40    47    48    75.00000  131.60000
   40    47    51    95.00000   92.72400
   40    49    51   105.00000   87.49700
   40    49    50    50.00000  112.01000
   40    49    53    80.00000  108.62000
   47    51    52    40.00000  113.37500
   47    51    49   100.00000   86.36000
   47    51    57    75.00000  110.24000
   51    47    48    60.00000  136.58000
   51    49    50    37.50000  110.70000
   51    49    53    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    59    50.00000  121.90000
   49    40    47   100.00000   93.00000
   49    51    52    37.50000  110.70000
   49    53    54    85.00000   99.86700
   53    49    50    45.00000  109.41400
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    52    50.00000  112.01000
   57    51    49    80.00000  110.05700
   57    59    60    80.00000  122.90000
   57    59    61    75.00000  109.57000
   59    57    58    35.00000  119.80000
   59    61    62    75.00000  114.44000
   59    61    63    65.00000  123.79500
   61    59    60    80.00000  120.45000
   61    62    64    60.00000  121.09900
   61    62    75    60.00000  126.00000
   61    63    66   100.00000  109.52600
   62    64    65    35.00000  130.70000
   62    64    67    80.00000  111.29200
   62    75    71    70.00000  110.00000
   64    67    71   120.00000   89.04400
   67    64    65    40.00000  122.38200
   67    71    75    80.00000  114.57700
   67    71    76    70.00000  122.29500
   71    76    77    35.00000  113.50000
   71    76    78    35.00000  113.50000
   75    62    64    70.00000  111.00000
   76    71    75    75.00000  125.31200
   78    76    77    35.00000  109.00000
   63    61    62    65.00000  124.33800
   63    66    68   110.00000  106.71400
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    72    85.00000  109.63000
   68    72    73    70.00000  117.00000
   68    72    74    70.00000  117.00000
   70    68    69    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    35.00000  109.50000
   74    72    73    80.00000  126.00000
   41    37    40    75.00000  120.83300
   43    41    42    65.00000  121.00000
   38    33    37    70.00000  110.12100
   38    33    54    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    46    35.00000  120.00000
   44    38    39    35.00000  120.00000
   46    44    45    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    54    53   0.56750  1.0 1.0
   29    33    54    53  -0.07550 -1.0 2.0
   29    33    54    53   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    47   0.00000  1.0 1.0
   33    37    40    49   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   37    33    54    53   0.56750  1.0 1.0
   37    33    54    53  -0.07550 -1.0 2.0
   37    33    54    53   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40    47    48   3.00000 -1.0 2.0
   37    40    47    51   3.00000 -1.0 2.0
   37    40   -49    51   0.00000  1.0 1.0
   37    40    49    50   0.00000  1.0 1.0
   37    40   -49    53   0.00000  1.0 1.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    43   7.00000 -1.0 2.0
   40    47    51    52   0.00000  1.0 1.0
   40    47   -51    49   3.00000 -1.0 2.0
   40    47    51    57   0.00000  1.0 1.0
   40    49    53    54   0.01700  1.0 1.0
   40    49    53    54  -0.23550 -1.0 2.0
   40    49    53    54   0.21350  1.0 3.0
   47    40   -49    51   0.00000  1.0 1.0
   47    40    49    50   0.00000  1.0 1.0
   47    40    49    53   0.00000  1.0 1.0
   47    51   -49    40   3.00000 -1.0 2.0
   47    51   -49    50   0.15000  1.0 3.0
   47    51   -49    53   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59  -0.42300  1.0 1.0
   47    51    57    59  -0.07000 -1.0 2.0
   47    51    57    59   0.04150  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49  -0.11250  1.0 1.0
   48    47    51    49   0.11400 -1.0 2.0
   48    47    51    49  -0.28950  1.0 3.0
   48    47    51    57   0.30150 -1.0 2.0
   51    49    53    54   0.25150  1.0 1.0
   51    49    53    54  -1.17200 -1.0 2.0
   51    49    53    54   0.53050  1.0 3.0
   51    57    59    60   3.04450 -1.0 2.0
   51    57    59    61   1.49850  1.0 1.0
   51    57    59    61   1.53950 -1.0 2.0
   52    51   -49    40   0.15000  1.0 3.0
   52    51    49    50   0.15000  1.0 3.0
   52    51    49    53   0.00000  1.0 1.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   49    40   -47    48   3.00000 -1.0 2.0
   49    40   -47    51   3.00000 -1.0 2.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59  -0.43950  1.0 1.0
   49    51    57    59  -0.08100 -1.0 2.0
   49    51    57    59   0.03350  1.0 3.0
   49    53   -54    33  -0.25000 -1.0 2.0
   49    53   -54    33  -0.01800  1.0 3.0
   49    53    54    55   0.32350  1.0 3.0
   49    53    54    56   0.32350  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   54    33   -37    40  -0.93550  1.0 1.0
   54    33   -37    40   0.38900 -1.0 2.0
   54    33   -37    40   0.16950  1.0 3.0
   54    33    37    41   0.09850  1.0 1.0
   54    33    37    41   0.15250 -1.0 2.0
   54    33    37    41  -0.50650  1.0 3.0
   54    33    38    39   0.00000  1.0 1.0
   54    33    38    44   0.09850  1.0 1.0
   54    33    38    44   0.15250 -1.0 2.0
   54    33    38    44  -0.50650  1.0 3.0
   57    51   -49    40   2.20050  1.0 1.0
   57    51   -49    40   0.63450 -1.0 2.0
   57    51   -49    40  -0.91300  1.0 3.0
   57    51    49    50   0.15000  1.0 3.0
   57    51    49    53   0.00000  1.0 1.0
   57    59    61    62   1.50000 -1.0 2.0
   57    59    61    63   1.50000 -1.0 2.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   2.56700 -1.0 2.0
   59    61    62    64   0.30050 -1.0 2.0
   59    61    62    64   0.16600  1.0 3.0
   59    61    62    75   0.30050 -1.0 2.0
   59    61    62    75   0.16600  1.0 3.0
   59    61    63    66   6.00000 -1.0 2.0
   60    59    61    62   1.00000 -1.0 2.0
   60    59    61    63   1.00000 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    67   3.62500 -1.0 2.0
   61    62    75    71   3.62500 -1.0 2.0
   61    63    66    68   1.50000 -1.0 2.0
   62    61    63    66   6.00000 -1.0 2.0
   62    64   -67    71   3.62500 -1.0 2.0
   64    62   -75    71   2.40000 -1.0 2.0
   64    67   -71    75   3.62500 -1.0 2.0
   64    67    71    76   3.62500 -1.0 2.0
   65    64    67    71   3.62500 -1.0 2.0
   67    71   -75    62   3.62500 -1.0 2.0
   67    71    76    77   0.47600 -1.0 2.0
   67    71    76    78   0.47600 -1.0 2.0
   75    62    64    65   3.62500 -1.0 2.0
   75    62   -64    67   3.62500 -1.0 2.0
   75    71    76    77   1.75000 -1.0 2.0
   75    71    76    78   1.75000 -1.0 2.0
   76    71    75    62   3.62500 -1.0 2.0
   63    61    62    64   1.02250 -1.0 2.0
   63    61    62    75   1.02250 -1.0 2.0
   63    66    68    69   0.37500  1.0 3.0
   63    66    68    70   0.37500  1.0 3.0
   63    66    68    72   0.37500  1.0 3.0
   66    68    72    73   0.30150 -1.0 2.0
   66    68    72    74   0.30150 -1.0 2.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   70    68    72    73   0.00000  1.0 1.0
   70    68    72    74   0.00000  1.0 1.0
   41    37    40    47   0.00000  1.0 1.0
   41    37    40    49   0.00000  1.0 1.0
   38    33    37    40  -1.35150  1.0 1.0
   38    33    37    40   0.13900 -1.0 2.0
   38    33    37    40   0.25250  1.0 3.0
   38    33    37    41  -0.28300  1.0 1.0
   38    33    37    41   0.26700 -1.0 2.0
   38    33    37    41  -0.63300  1.0 3.0
   38    33    54    53   0.56750  1.0 1.0
   38    33    54    53  -0.07550 -1.0 2.0
   38    33    54    53   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -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    40    37    41   1.10000 -1.0 2.0
   49    47    40    37   1.00000 -1.0 2.0
   40    51    47    48  10.50000 -1.0 2.0
   58    59    57    51   1.00000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   59    62    61    63  10.50000 -1.0 2.0
   64    75    62    61   4.00000 -1.0 2.0
   67    65    64    62   1.10000 -1.0 2.0
   75    76    71    67   4.00000 -1.0 2.0
   78    71    76    77   1.00000 -1.0 2.0
   73    68    72    74  10.50000 -1.0 2.0
   42    43    41    37   1.10000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
END
