* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    146    244     441
    1     0 S   NP   _N1_     1    28.35258    98.60744   -23.71335
    2     1 S   H    _HN1     2     1.02776   113.18827  -107.11281
    3     1 S   H    _H1_     3     1.02957    65.67907    -6.62155
    4     1 S   H    _H2_     4     1.02834    42.17688   161.44613
    5     1 S   CT   _CA1     5     1.50158   132.87548    89.21132
    6     5 S   HC   _HA1     6     1.09576   105.18198   102.34792
    7     5 S   CO3  _C1_     7     1.53774   112.30030   -17.77336
    8     7 S   O2Z  _O11     8     1.26370   114.98390   -44.29727
    9     7 S   O2Z  _O12     9     1.26229   114.92984   134.59233
   10     5 S   CT   _CB1    10     1.53077   107.39133  -139.79207
   11    10 S   HC   HB11    11     1.09831   109.28167   -50.28797
   12    10 S   HC   HB12    12     1.09813   110.45776    66.25310
   13    10 S   CT   _CG1    13     1.53029   112.70381  -171.33580
   14    13 S   HC   HG11    14     1.09592   110.52484   -65.56871
   15    13 S   HC   HG12    15     1.09660   109.88837    53.64628
   16    13 S   C    _CD1    16     1.51857   112.22631   173.97562
   17    16 S   O    _OE1    17     1.22771   123.26477     2.74923
   18    16 S   N    _N2_    18     1.38526   111.79158  -177.19690
   19    18 S   H    _HN2    19     1.01571   119.21405     3.04112
   20    18 S   CT1  _CA2    20     1.45855   122.84173   177.99670
   21    20 S   HC   _HA2    21     1.09741   108.80173    27.25105
   22    20 S   C    _C2_    22     1.52975   107.07539   -89.77691
   23    22 S   O    _O2_    23     1.22985   123.10024   -26.90795
   24    20 S   CT   _CB2    32     1.53342   112.23049   150.48223
   25    24 S   HC   HB21    33     1.09466   109.50693    55.28791
   26    24 S   HC   HB22    34     1.09399   109.43497   174.17496
   27    22 S   N    _N3_    24     1.38527   112.56910   155.68109
   28    27 S   H    _HN3    25     1.01655   120.32498    -1.75714
   29    24 S   S    _SG2    35     1.82740   110.57780   -66.66856
   30    27 S   CT   _CA3    26     1.45343   122.44467   178.64463
   31    30 S   HC   HA31    27     1.09569   107.71873   -57.41453
   32    30 S   HC   HA32    28     1.09565   107.67869    58.89021
   33    29 S   CT   _C23    36     1.86965   103.45009   163.35713
   34    33 S   OM   _O39    37     1.32252   109.76566   -61.26521
   35    30 S   CO3  _C3_    29     1.52880   114.39069  -179.29557
   36    35 S   O2Z  _O31    30     1.26329   116.10071    -0.98952
   37    35 S   O2Z  _O32    31     1.26448   114.39736   179.01643
   38    33 S   CT   _C6_    38     1.56377   108.80267   179.78602
   39    38 S   HC   _H3_    39     1.10224   109.17662   179.83449
   40    33 S   CT   _C22    68     1.56507   114.20964    60.82023
   41    40 S   HC   _H5_    69     1.09969   108.44100  -178.35384
   42    38 S   CO4  _C7_    40     1.53256   109.81359   -66.31470
   43    42 S   O    _O34    41     1.23341   121.96100   124.58872
   44    40 S   OH   _O40    70     1.42991   112.13319   -62.94692
   45    44 S   HO   _H16    71     0.97393   105.73987   -48.11222
   46    38 S   CO4  _C5_    74     1.54110   115.35150    62.39559
   47    46 S   O    _O33    75     1.23136   123.19319   -75.40580
   48    42 S   CT   _C8_    42     1.55271   116.56165   -57.85532
   49    46 S   CT   _C4_    76     1.50953   116.55416   105.93662
   50    49 S   HC   _H6_    77     1.09285   109.44223    63.27510
   51    49 S   HC   _H7_    78     1.09198   110.19267   -58.04122
   52    49 S   HC   _H8_    79     1.09370   109.61464  -177.45632
   53    48 S   CMA  _C21    43     1.55994   113.63609   -76.65991
   54    53 S   OM   _O35    44     1.26688   110.72109   -38.72253
   55    48 S   OH   _O41    72     1.43975   105.77730   166.04849
   56    55 S   HO   _H17    73     0.97411   106.18135    68.87300
   57    53 S   CM   _C20    45     1.36492   118.92107   141.57704
   58    57 S   CM   _C11    46     1.46214   123.05504     2.97703
   59    57 S   CO4  _C19    57     1.51700   119.80857  -178.03029
   60    59 S   O    _O36    58     1.22608   123.81097   -15.29740
   61    58 S   CM   _C12    47     1.34154   121.92189  -169.38307
   62    61 S   HC   _H11    48     1.08608   120.62683   179.42733
   63    58 S   CT   _C10    63     1.50343   117.56092    10.21294
   64    63 S   HC   _H9_    64     1.09826   108.60113    78.86091
   65    63 S   HC   _H10    65     1.09683   111.47791  -164.94464
   66    61 S   CA   _C13    49     1.46124   121.65101    -0.66558
   67    48 S   CT   _C9_    66     1.54756   108.16444    51.95011
   68    67 S   HC   _H4_    67     1.09891   109.39700    71.27029
   69    66 S   CA   _C14    50     1.40303   119.25333   175.03667
   70    69 S   HA   _H12    51     1.08755   120.22957    -0.85180
   71    69 S   CA   _C15    52     1.39329   119.96994   179.14705
   72    71 S   CA   _C16    53     1.38939   120.75469    -0.18452
   73    72 S   HA   _H13    54     1.08668   120.24219  -179.97202
   74    71 S   OH   _O38    61     1.36630   121.07271   179.88809
   75    74 S   HO   _H15    62     0.97237   108.69305    -0.13706
   76    72 S   CA   _C17    55     1.39494   119.46909    -0.00000
   77    66 S   CA   _C18    56     1.40335   120.94091    -6.03891
   78    76 S   OH   _O37    59     1.36948   115.86461   179.84934
   79    78 S   HO   _H14    60     0.97438   108.67440   178.47235
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  16   7  14   6  13   5   5   1   6   4  12
   3   2   1   1  12   5   5   1  12  12   9   3  11   4   5   3
   2   8   1   1   8   4   7   7   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    67    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    63    67    68    40    41    44    45    46    47    49  
   38    39    42    67    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    53    67    40    41    44    55    46    47    49    50    51    52  
   42    43    48    40    46    47    49  
   41    44    45    55    46    42    48    53    58    63    64    65    67    68  
   44    45    48    63    67    68  
   43    48    53    54    57    63    67    68    55    56    46    47    49  
   48    53    67    55    46  
   45    48    63    67    68  
   67  
   47    49    50    51    52    48  
   49    50    51    52  
   53    54    57    58    59    63    64    65    67    68    55    56  
   50    51    52  
   51    52  
   52  
    0  
   54    57    58    61    77    59    60    63    67    68    55    56  
   57    58    59    67    55  
   56    57    63    67    68  
   67  
   58    61    62    66    76    77    59    60    63    64    65    67  
   61    62    66    69    77    59    60    63    64    65    67    68  
   60    78    63    61    66    69    72    76    77  
   66    76    77  
   62    66    69    70    71    76    77    63    64    65    67  
   66    69    77    63  
   64    65    67    68    66  
   65    67    68  
   67    68  
   69    70    71    72    76    77    78    74  
   68  
    0  
   70    71    72    73    76    77    74    75  
   71    72    77    74  
   72    73    76    77    78    74    75  
   73    76    77    78    79    74    75  
   76    77    78    74  
   75    76  
    0  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    53   270.000  1.512
   48    67   268.000  1.529
   48    55   320.000  1.410
   53    54   745.000  1.250
   53    57   465.000  1.376
   57    58   380.000  1.444
   57    59   320.000  1.462
   58    61   549.000  1.340
   58    63   317.000  1.510
   61    62   340.000  1.080
   61    66   320.000  1.460
   66    69   469.000  1.400
   66    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    59   310.000  1.470
   59    60   570.000  1.229
   78    79   553.000  0.945
   74    75   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   55    56   553.000  0.945
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    67    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    49    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    48    53    70.00000  109.06800
   42    48    67    63.00000  111.10000
   42    48    55    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    53    54    85.00000  112.85300
   48    53    57    65.00000  122.18000
   48    67    63    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    67    40    58.35000  112.70000
   48    55    56    55.00000  108.50000
   53    57    58    70.00000  117.34000
   53    57    59    60.00000  125.92000
   57    53    54    65.00000  137.10300
   57    58    61    70.00000  123.01800
   57    58    63    70.00000  124.00000
   57    59    77    65.00000  117.02400
   57    59    60    80.00000  123.72100
   58    61    62    35.00000  120.00000
   58    61    66    60.00000  123.20500
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    70.00000  112.02700
   61    66    69    60.00000  120.93500
   61    66    77    60.00000  120.93500
   66    61    62    40.00000  117.26300
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   66    77    76    63.00000  120.00000
   66    77    59    60.00000  119.52600
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   72    76    77    63.00000  120.00000
   72    76    78    70.00000  120.00000
   76    72    73    35.00000  120.00000
   76    77    59    60.00000  119.52600
   76    78    79    35.00000  113.00000
   77    66    69    63.00000  120.00000
   77    59    60    75.00000  123.78400
   59    57    58    65.00000  118.96000
   78    76    77    70.00000  120.00000
   74    71    72    70.00000  120.00000
   63    58    61    70.00000  124.00000
   63    67    68    37.50000  110.70000
   63    67    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    48    53    70.00000  112.02700
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    40    41    37.50000  110.70000
   67    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   55    48    53    90.00000  110.39200
   55    48    67    50.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    75.00000  107.99600
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   49    46    47    80.00000  120.40000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    49   0.60050  1.0 1.0
   33    38    46    49   0.05600 -1.0 2.0
   33    38    46    49   0.26150  1.0 3.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    67   0.62750  1.0 1.0
   34    33    40    67  -0.30950 -1.0 2.0
   34    33    40    67   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   3.69350  1.0 1.0
   34    33    40    44  -1.82950 -1.0 2.0
   38    33    40    67   0.56750  1.0 1.0
   38    33    40    67  -0.07550 -1.0 2.0
   38    33    40    67   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.86500  1.0 1.0
   38    33    40    44  -0.17500 -1.0 2.0
   38    33    40    44   0.20800  1.0 3.0
   38    42    48    53   0.65300  1.0 1.0
   38    42    48    53  -0.03850 -1.0 2.0
   38    42    48    53   0.33900  1.0 3.0
   38    42   -48    67   0.60050  1.0 1.0
   38    42   -48    67   0.05600 -1.0 2.0
   38    42   -48    67   0.26150  1.0 3.0
   38    42    48    55   0.55300  1.0 1.0
   38    42    48    55   1.25850 -1.0 2.0
   38    42    48    55  -0.23600  1.0 3.0
   38    46    49    50   0.00000  1.0 1.0
   38    46    49    51   0.00000  1.0 1.0
   38    46    49    52   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    49   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    49   0.65300  1.0 1.0
   42    38    46    49  -0.03850 -1.0 2.0
   42    38    46    49   0.33900  1.0 3.0
   42    48    53    54   0.09700  1.0 1.0
   42    48    53    54   0.15600 -1.0 2.0
   42    48    53    54  -0.50800  1.0 3.0
   42    48    53    57  -0.51250  1.0 1.0
   42    48    53    57  -0.88800 -1.0 2.0
   42    48    53    57   0.08850  1.0 3.0
   42    48    67    63  -0.95700  1.0 1.0
   42    48    67    63  -0.18200 -1.0 2.0
   42    48    67    63   0.29450  1.0 3.0
   42    48    67    68  -0.11250  1.0 3.0
   42    48    67    40  -0.95700  1.0 1.0
   42    48    67    40  -0.18200 -1.0 2.0
   42    48    67    40   0.29450  1.0 3.0
   42    48    55    56   0.91850  1.0 1.0
   42    48    55    56   0.57950  1.0 3.0
   43    42    48    53   0.30150 -1.0 2.0
   43    42    48    67   0.30150 -1.0 2.0
   43    42    48    55   0.30150 -1.0 2.0
   48    53    57    58   7.00000 -1.0 2.0
   48    53    57    59   7.00000 -1.0 2.0
   48    67   -40    33   0.56750  1.0 1.0
   48    67   -40    33  -0.07550 -1.0 2.0
   48    67   -40    33   0.20000  1.0 3.0
   48    67    40    41   0.15000  1.0 3.0
   48    67    40    44   0.86500  1.0 1.0
   48    67    40    44  -0.17500 -1.0 2.0
   48    67    40    44   0.20800  1.0 3.0
   53    48    67    63   0.34400  1.0 1.0
   53    48    67    63   0.09450 -1.0 2.0
   53    48    67    63   0.11100  1.0 3.0
   53    48    67    68   0.15000  1.0 3.0
   53    48    67    40   0.34400  1.0 1.0
   53    48    67    40   0.09450 -1.0 2.0
   53    48    67    40   0.11100  1.0 3.0
   53    48    55    56  -0.07800  1.0 1.0
   53    48    55    56  -0.21500 -1.0 2.0
   53    48    55    56  -0.03150  1.0 3.0
   53    57    58    61   0.28850  1.0 1.0
   53    57    58    61   2.61350 -1.0 2.0
   53    57    58    61   0.78400  1.0 3.0
   53    57   -58    63  -0.18600  1.0 3.0
   53    57    59    77  -1.65800  1.0 1.0
   53    57    59    77   0.77650 -1.0 2.0
   53    57    59    60   1.00000 -1.0 2.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    59   7.00000 -1.0 2.0
   57    58    61    62   7.00000 -1.0 2.0
   57    58    61    66   7.00000 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    67   0.98200  1.0 1.0
   57    58    63    67  -0.11900 -1.0 2.0
   57    58    63    67   0.24250  1.0 3.0
   58    57    59    77  -1.65800  1.0 1.0
   58    57    59    77   0.77650 -1.0 2.0
   58    57    59    60   1.00000 -1.0 2.0
   58    61    66    69   0.15800  1.0 1.0
   58    61    66    69   1.85350 -1.0 2.0
   58    61    66    69  -0.48700  1.0 3.0
   58    61   -66    77   0.15800  1.0 1.0
   58    61   -66    77   1.85350 -1.0 2.0
   58    61   -66    77  -0.48700  1.0 3.0
   58    63   -67    48   0.34400  1.0 1.0
   58    63   -67    48   0.09450 -1.0 2.0
   58    63   -67    48   0.11100  1.0 3.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    40   0.34400  1.0 1.0
   58    63    67    40   0.09450 -1.0 2.0
   58    63    67    40   0.11100  1.0 3.0
   61    58    63    64   0.00000  1.0 1.0
   61    58    63    65   0.00000  1.0 1.0
   61    58    63    67   0.09850  1.0 1.0
   61    58    63    67   0.15250 -1.0 2.0
   61    58    63    67  -0.50650  1.0 3.0
   61    66    69    70   3.62500 -1.0 2.0
   61    66    69    71   3.62500 -1.0 2.0
   61    66    77    76   3.62500 -1.0 2.0
   61    66    77    59   3.62500 -1.0 2.0
   62    61    66    69   0.56550  1.0 3.0
   62    61    66    77   0.56550  1.0 3.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    74   3.62500 -1.0 2.0
   66    77   -59    57  -0.11500  1.0 1.0
   66    77   -59    57   1.10450 -1.0 2.0
   66    77   -59    57  -0.48050  1.0 3.0
   66    77    59    60   1.05000 -1.0 2.0
   69    66    77    76   3.62500 -1.0 2.0
   69    66    77    59   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    76   3.62500 -1.0 2.0
   69    71    74    75   0.84100 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72    76    77   3.62500 -1.0 2.0
   71    72    76    78   3.62500 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   72    76   -77    66   3.62500 -1.0 2.0
   72    76    77    59   3.62500 -1.0 2.0
   72    76    78    79   0.84100 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    77    59    57  -0.11500  1.0 1.0
   76    77    59    57   1.10450 -1.0 2.0
   76    77    59    57  -0.48050  1.0 3.0
   76    77    59    60   1.05000 -1.0 2.0
   77    66    69    70   3.62500 -1.0 2.0
   77    66   -69    71   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   59    57   -58    61  -0.18600  1.0 3.0
   59    57    58    63   1.08500 -1.0 2.0
   78    76    77    66   3.62500 -1.0 2.0
   78    76    77    59   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   3.62500 -1.0 2.0
   63    58    61    62   7.00000 -1.0 2.0
   63    58    61    66   7.00000 -1.0 2.0
   63    67    40    33   0.56750  1.0 1.0
   63    67    40    33  -0.07550 -1.0 2.0
   63    67    40    33   0.20000  1.0 3.0
   63    67    40    41   0.15000  1.0 3.0
   63    67    40    44   0.86500  1.0 1.0
   63    67    40    44  -0.17500 -1.0 2.0
   63    67    40    44   0.20800  1.0 3.0
   64    63    67    48   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    40   0.15000  1.0 3.0
   65    63    67    48   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    40   0.15000  1.0 3.0
   67    48    53    54   0.09700  1.0 1.0
   67    48    53    54   0.15600 -1.0 2.0
   67    48    53    54  -0.50800  1.0 3.0
   67    48   -53    57   0.09850  1.0 1.0
   67    48   -53    57   0.15250 -1.0 2.0
   67    48   -53    57  -0.50650  1.0 3.0
   67    48    55    56  -0.11600  1.0 1.0
   67    48    55    56  -0.09450 -1.0 2.0
   67    48    55    56   0.21250  1.0 3.0
   67    40    44    45  -0.11600  1.0 1.0
   67    40    44    45  -0.09450 -1.0 2.0
   67    40    44    45   0.21250  1.0 3.0
   68    67    40    33   0.15000  1.0 3.0
   68    67    40    41   0.15000  1.0 3.0
   68    67    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   55    48    53    54   0.09700  1.0 1.0
   55    48    53    54   0.15600 -1.0 2.0
   55    48    53    54  -0.50800  1.0 3.0
   55    48    53    57   0.67800  1.0 1.0
   55    48    53    57   0.47050 -1.0 2.0
   55    48    53    57  -0.62500  1.0 3.0
   55    48    67    63   0.86500  1.0 1.0
   55    48    67    63  -0.17500 -1.0 2.0
   55    48    67    63   0.20800  1.0 3.0
   55    48    67    68   0.23400  1.0 3.0
   55    48    67    40   0.86500  1.0 1.0
   55    48    67    40  -0.17500 -1.0 2.0
   55    48    67    40   0.20800  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
   48    54    53    57   1.10000 -1.0 2.0
   58    59    57    53   1.10000 -1.0 2.0
   57    63    58    61   1.10000 -1.0 2.0
   66    62    61    58   1.10000 -1.0 2.0
   69    77    66    61   4.00000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   77    78    76    72   4.00000 -1.0 2.0
   76    59    77    66   4.00000 -1.0 2.0
   57    77    59    60  10.50000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
END
