* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    153    245     449
    1     0 S   NP   _N1_     1    29.22077    92.44782   -22.80119
    2     1 S   H    _HN1     2     1.02964    95.70113    28.35457
    3     1 S   H    _H1_     3     1.02836    15.99942   164.27509
    4     1 S   H    _H2_     4     1.02774   101.87612   -81.78261
    5     1 S   CT   _CA1     5     1.50127   126.24035   148.82701
    6     5 S   HC   _HA1     6     1.09575   105.22827    63.66261
    7     5 S   CO3  _C1_     7     1.53779   112.39784   -56.51525
    8     7 S   O2Z  _O11     8     1.26353   114.99843   -43.00778
    9     7 S   O2Z  _O12     9     1.26240   114.91655   136.15321
   10     5 S   CT   _CB1    10     1.53089   107.42251  -178.44179
   11    10 S   HC   HB11    11     1.09824   109.28699   -50.89520
   12    10 S   HC   HB12    12     1.09830   110.42341    65.61970
   13    10 S   CT   _CG1    13     1.53033   112.73041  -172.04423
   14    13 S   HC   HG11    14     1.09592   110.38196   -63.81240
   15    13 S   HC   HG12    15     1.09641   110.08486    55.47056
   16    13 S   C    _CD1    16     1.51769   112.21363   175.72758
   17    16 S   O    _OE1    17     1.22792   123.17932    -4.92915
   18    16 S   N    _N2_    18     1.38672   111.77234   175.19046
   19    18 S   H    _HN2    19     1.01597   119.13164     0.53449
   20    18 S   CT1  _CA2    20     1.46055   123.16145  -179.21815
   21    20 S   HC   _HA2    21     1.09536   109.05359   -13.62745
   22    20 S   C    _C2_    22     1.53437   108.84825  -128.48778
   23    22 S   O    _O2_    23     1.23026   122.11060  -148.54674
   24    20 S   CT   _CB2    32     1.53547   112.03987   108.88200
   25    24 S   HC   HB21    33     1.09682   109.22457    64.29208
   26    24 S   HC   HB22    34     1.09476   110.85647  -179.09821
   27    22 S   N    _N3_    24     1.38476   113.44017    39.16318
   28    27 S   H    _HN3    25     1.01516   118.92598    -0.93125
   29    24 S   S    _SG2    35     1.83047   115.32084   -54.93318
   30    27 S   CT   _CA3    26     1.45439   123.40534   174.30195
   31    30 S   HC   HA31    27     1.09526   109.14868    26.04459
   32    30 S   HC   HA32    28     1.09489   107.14817   143.10928
   33    29 S   CT   _C19    36     1.84795   101.17283   -66.44587
   34    33 S   HC   _H5_    37     1.09262   106.82061    42.43345
   35    30 S   CO3  _C3_    29     1.52961   113.18539   -97.30849
   36    35 S   O2Z  _O31    30     1.26401   115.48786   -41.14818
   37    35 S   O2Z  _O32    31     1.26361   114.91643   139.73439
   38    33 S   CT   _C18    38     1.53317   111.12043   -76.48928
   39    38 S   HC   _H4_    39     1.09530   110.88029    58.40415
   40    38 S   CT   _C17    40     1.52698   109.32717   178.51853
   41    40 S   HC   _H19    41     1.09656   108.88574   -64.06489
   42    40 S   HC   _H20    42     1.09757   109.80702   179.47586
   43    38 S   OH   _O37    77     1.42600   110.62550   -61.21516
   44    43 S   HO   _H22    78     0.97261   107.58976   178.40112
   45    40 S   CT   _C16    43     1.53659   110.95652    59.53330
   46    45 S   HC   _H3_    44     1.10016   106.75688    70.55893
   47    45 S   CT   _C12    45     1.54531   115.09038   -53.66553
   48    45 S   NT   _N4_    56     1.48213   110.84914  -168.76353
   49    47 S   CA   _C7_    46     1.55152   107.10736   170.39039
   50    48 S   CT   _C14    57     1.48028   105.49552    81.65969
   51    50 S   HC   _H15    58     1.09644   109.10962   -94.83863
   52    50 S   HC   _H16    59     1.09632   113.08951   147.25525
   53    33 S   CT   _C20    73     1.54952   109.17759   159.11908
   54    53 S   HC   _H6_    74     1.09809   108.89857    53.20871
   55    49 S   CA   _C8_    47     1.40022   123.01275  -147.98184
   56    55 S   HA   _H10    48     1.08279   122.67563     1.37828
   57    47 S   CT   _C13    60     1.54390   101.71511   -77.62403
   58    57 S   HC   _H13    61     1.09619   112.79155  -149.31972
   59    57 S   HC   _H14    62     1.09565   111.81505    89.50610
   60    53 S   OH   _O36    75     1.43505   108.74697   -63.16420
   61    60 S   HO   _H21    76     0.97339   108.65233   -45.97622
   62    55 S   CA   _C9_    49     1.38107   118.50039  -178.49429
   63    62 S   CA   _C10    50     1.37852   122.78519     0.12033
   64    63 S   CA   _C5_    51     1.38362   121.20131     0.03956
   65    63 S   OS   _O34    68     1.36281   111.04854  -179.91844
   66    49 S   CA   _C6_    52     1.43093   118.15201    34.13344
   67    64 S   OS   _O33    63     1.36674   127.13078  -179.53438
   68    65 S   CO   _C11    69     1.43801   102.01609    -0.08393
   69    68 S   HC   _H11    70     1.09601   108.72165  -120.89905
   70    68 S   HC   _H12    71     1.09601   108.72085   120.96642
   71    66 S   CT   _C15    53     1.52322   119.01355    -3.08699
   72    71 S   HC   _H17    54     1.09727   110.06947   131.63513
   73    71 S   HC   _H18    55     1.09797   107.85966  -112.47849
   74    67 S   CT   _C4_    64     1.42000   118.45502     0.03426
   75    74 S   HC   _H7_    65     1.09449   107.62387   179.86878
   76    74 S   HC   _H8_    66     1.09454   111.22005    62.51229
   77    74 S   HC   _H9_    67     1.09453   111.20644   -62.78399
   78    62 S   OS   _O35    72     1.36336   124.33913  -179.91153
  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  13   7  13   6   5   3   1  18   7  18  13
  18  10   5   4   8   3  10   4   5   1   1   1   1   9  10  12
   6   5   5   3   2   1   2   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    53    54    60    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    47    49    57    53    54    60    61    43    44  
   38    39    40    47    53    54    60    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    53    54    60    43    44  
   40    41    42    45    53    43    44  
   41    42    45    46    47    49    71    48    50    57    53    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    53  
    0  
   46    47    49    55    66    71    72    73    48    50    51    52    57    58    59    53    54    60  
   47    49    71    48    50    57    53  
   49    55    56    62    64    66    71    48    50    51    52    57    58    59    53    54    60    61  
   50    51    52    57    58    59    53    49    64    66    71    72    73  
   55    56    62    63    64    66    71    72    73    50    57    58    59    67    78    53    54    60  
   51    52    57    58    59    53    66    71    72    73  
   52    57    58    59    71  
   57    58    59    71  
   54    60    61    55    57    58    59    66  
   60    61    57  
   56    62    63    64    66    71    57    65    68    78  
   62    63    66    78  
   58    59    60    66    71  
   59  
    0  
   61  
    0  
   63    64    66    67    65    68    69    70    78  
   64    66    71    67    74    65    68    69    70    78  
   66    71    72    73    67    74    75    76    77    65    68    78  
   68    69    70    78    66    67  
   71    72    73    67    74  
   74    75    76    77    71  
   69    70    78  
   70    78  
   78  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   382.000  1.448
   47    49   317.000  1.510
   47    57   268.000  1.529
   47    53   268.000  1.529
   49    55   469.000  1.400
   49    66   469.000  1.400
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    63   469.000  1.400
   62    78   450.000  1.364
   63    64   469.000  1.400
   63    65   450.000  1.364
   64    66   469.000  1.400
   64    67   450.000  1.364
   66    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    48   382.000  1.448
   48    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   67    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    68   320.000  1.380
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   320.000  1.380
   53    54   340.000  1.090
   53    60   320.000  1.410
   60    61   553.000  0.945
   43    44   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    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    53    47    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    58.35000  112.70000
   40    45    48    56.20000  109.47000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    47    49    70.00000  112.17500
   45    47    57    58.35000  112.70000
   45    47    53    58.35000  112.70000
   45    48    71    51.80000  107.20000
   45    48    50    51.80000  107.20000
   47    45    46    37.50000  110.70000
   47    49    55    70.00000  120.00000
   47    49    66    70.00000  120.00000
   47    57    50    58.35000  112.70000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    60    50.00000  109.50000
   49    55    56    35.00000  120.00000
   49    55    62    63.00000  120.00000
   49    66    64    63.00000  120.00000
   49    66    71    70.00000  120.00000
   55    62    63    63.00000  120.00000
   55    62    78    70.00000  120.00000
   62    55    56    35.00000  120.00000
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    78    68   100.00000  112.36700
   63    64    66    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    65    68   100.00000  112.36700
   64    66    71    70.00000  120.00000
   64    67    74    75.00000  111.00000
   66    49    55    63.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    48    75.00000  112.33000
   71    48    50    51.80000  107.20000
   73    71    72    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    56.20000  109.47000
   48    71    72    35.00000  109.50000
   48    71    73    35.00000  109.50000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    57    56.20000  109.47000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    47    49    70.00000  112.17500
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   67    64    66    70.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    78    92.60000  111.55000
   70    68    69    33.00000  109.50000
   78    62    63    70.00000  120.00000
   78    68    69    35.00000  109.50000
   78    68    70    35.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    49    70.00000  112.17500
   53    47    57    58.35000  112.70000
   53    60    61    55.00000  108.50000
   60    53    54    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
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   0.01700  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    60   0.56750  1.0 1.0
   29    33    53    60  -0.07550 -1.0 2.0
   29    33    53    60   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    53    60    61  -0.11600  1.0 1.0
   33    53    60    61  -0.09450 -1.0 2.0
   33    53    60    61   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    53    47   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    60   0.23400  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    60   0.86500  1.0 1.0
   38    33    53    60  -0.17500 -1.0 2.0
   38    33    53    60   0.20800  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    47   0.56750  1.0 1.0
   38    40   -45    47  -0.07550 -1.0 2.0
   38    40   -45    47   0.20000  1.0 3.0
   38    40    45    48   1.53400  1.0 1.0
   38    40    45    48  -0.09950 -1.0 2.0
   38    40    45    48   0.05700  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    47    49  -0.03700  1.0 1.0
   40    45    47    49   0.37200 -1.0 2.0
   40    45    47    49  -0.47300  1.0 3.0
   40    45    47    57   0.56750  1.0 1.0
   40    45    47    57  -0.07550 -1.0 2.0
   40    45    47    57   0.20000  1.0 3.0
   40    45    47    53   0.56750  1.0 1.0
   40    45    47    53  -0.07550 -1.0 2.0
   40    45    47    53   0.20000  1.0 3.0
   40    45    48    71   0.23450  1.0 1.0
   40    45    48    71   0.02050 -1.0 2.0
   40    45    48    71   0.25250  1.0 3.0
   40    45    48    50   0.23450  1.0 1.0
   40    45    48    50   0.02050 -1.0 2.0
   40    45    48    50   0.25250  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   45    47    49    55   0.04150 -1.0 2.0
   45    47    49    66   0.04150 -1.0 2.0
   45    47   -57    50   0.56750  1.0 1.0
   45    47   -57    50  -0.07550 -1.0 2.0
   45    47   -57    50   0.20000  1.0 3.0
   45    47    57    58   0.15000  1.0 3.0
   45    47    57    59   0.15000  1.0 3.0
   45    47   -53    33   0.56750  1.0 1.0
   45    47   -53    33  -0.07550 -1.0 2.0
   45    47   -53    33   0.20000  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    60   0.86500  1.0 1.0
   45    47    53    60  -0.17500 -1.0 2.0
   45    47    53    60   0.20800  1.0 3.0
   45    48    50    51   0.28000  1.0 3.0
   45    48    50    52   0.28000  1.0 3.0
   45    48   -50    57   0.23450  1.0 1.0
   45    48   -50    57   0.02050 -1.0 2.0
   45    48   -50    57   0.25250  1.0 3.0
   46    45    47    49   0.43200  1.0 3.0
   46    45    47    57   0.15000  1.0 3.0
   46    45    47    53   0.15000  1.0 3.0
   46    45    48    71   0.28000  1.0 3.0
   46    45    48    50   0.28000  1.0 3.0
   47    45    48    71   0.23450  1.0 1.0
   47    45    48    71   0.02050 -1.0 2.0
   47    45    48    71   0.25250  1.0 3.0
   47    45   -48    50   0.23450  1.0 1.0
   47    45   -48    50   0.02050 -1.0 2.0
   47    45   -48    50   0.25250  1.0 3.0
   47    49    55    56   3.62500 -1.0 2.0
   47    49    55    62   3.62500 -1.0 2.0
   47    49    66    64   3.62500 -1.0 2.0
   47    49   -66    71   3.62500 -1.0 2.0
   47    53    60    61  -0.11600  1.0 1.0
   47    53    60    61  -0.09450 -1.0 2.0
   47    53    60    61   0.21250  1.0 3.0
   49    47    57    50  -0.03700  1.0 1.0
   49    47    57    50   0.37200 -1.0 2.0
   49    47    57    50  -0.47300  1.0 3.0
   49    47    57    58   0.43200  1.0 3.0
   49    47    57    59   0.43200  1.0 3.0
   49    47    53    33  -0.03700  1.0 1.0
   49    47    53    33   0.37200 -1.0 2.0
   49    47    53    33  -0.47300  1.0 3.0
   49    47    53    54   0.43200  1.0 3.0
   49    47    53    60   1.13150  1.0 1.0
   49    47    53    60  -1.01400 -1.0 2.0
   49    55    62    63   3.62500 -1.0 2.0
   49    55    62    78   3.62500 -1.0 2.0
   49    66    71    72   0.00000  1.0 1.0
   49    66    71    73   0.00000  1.0 1.0
   49    66    71    48   0.18550 -1.0 2.0
   49    66    71    48   0.14000  1.0 3.0
   55    49    66    64   3.62500 -1.0 2.0
   55    49    66    71   3.62500 -1.0 2.0
   55    62   -63    64   3.62500 -1.0 2.0
   55    62    63    65   3.62500 -1.0 2.0
   55    62    78    68   1.63200 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    62    78   3.62500 -1.0 2.0
   62    63    64    66   3.62500 -1.0 2.0
   62    63    64    67   3.62500 -1.0 2.0
   62    63   -65    68   1.63200 -1.0 2.0
   63    62   -78    68   1.63200 -1.0 2.0
   63    64   -66    49   3.62500 -1.0 2.0
   63    64    66    71   3.62500 -1.0 2.0
   63    64    67    74   1.63200 -1.0 2.0
   63    65    68    69   0.08050  1.0 3.0
   63    65    68    70   0.08050  1.0 3.0
   63    65   -68    78  -0.25600  1.0 1.0
   63    65   -68    78  -0.40050 -1.0 2.0
   63    65   -68    78   0.34700  1.0 3.0
   64    63    65    68   1.63200 -1.0 2.0
   64    66    71    72   0.00000  1.0 1.0
   64    66    71    73   0.00000  1.0 1.0
   64    66    71    48   0.18550 -1.0 2.0
   64    66    71    48   0.14000  1.0 3.0
   64    67    74    75   0.08050  1.0 3.0
   64    67    74    76   0.08050  1.0 3.0
   64    67    74    77   0.08050  1.0 3.0
   66    49    55    56   3.62500 -1.0 2.0
   66    49   -55    62   3.62500 -1.0 2.0
   66    64    67    74   1.63200 -1.0 2.0
   66    71   -48    45   0.82600  1.0 1.0
   66    71   -48    45  -0.32100 -1.0 2.0
   66    71   -48    45   1.02000  1.0 3.0
   66    71    48    50   0.82600  1.0 1.0
   66    71    48    50  -0.32100 -1.0 2.0
   66    71    48    50   1.02000  1.0 3.0
   71    48    50    51   0.28000  1.0 3.0
   71    48    50    52   0.28000  1.0 3.0
   71    48    50    57   0.23450  1.0 1.0
   71    48    50    57   0.02050 -1.0 2.0
   71    48    50    57   0.25250  1.0 3.0
   72    71    48    45   0.28000  1.0 3.0
   72    71    48    50   0.28000  1.0 3.0
   73    71    48    45   0.28000  1.0 3.0
   73    71    48    50   0.28000  1.0 3.0
   48    45   -47    49   0.83750  1.0 1.0
   48    45   -47    49   0.32200 -1.0 2.0
   48    45   -47    49   0.70600  1.0 3.0
   48    45   -47    57   1.53400  1.0 1.0
   48    45   -47    57  -0.09950 -1.0 2.0
   48    45   -47    57   0.05700  1.0 3.0
   48    45    47    53   1.53400  1.0 1.0
   48    45    47    53  -0.09950 -1.0 2.0
   48    45    47    53   0.05700  1.0 3.0
   48    50   -57    47   1.53400  1.0 1.0
   48    50   -57    47  -0.09950 -1.0 2.0
   48    50   -57    47   0.05700  1.0 3.0
   48    50    57    58   0.15000  1.0 3.0
   48    50    57    59   0.15000  1.0 3.0
   51    50    57    47   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   52    50    57    47   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   57    47    49    55   0.04150 -1.0 2.0
   57    47    49    66   0.04150 -1.0 2.0
   57    47    53    33   0.56750  1.0 1.0
   57    47    53    33  -0.07550 -1.0 2.0
   57    47    53    33   0.20000  1.0 3.0
   57    47    53    54   0.15000  1.0 3.0
   57    47    53    60   0.86500  1.0 1.0
   57    47    53    60  -0.17500 -1.0 2.0
   57    47    53    60   0.20800  1.0 3.0
   67    64    66    49   3.62500 -1.0 2.0
   67    64    66    71   3.62500 -1.0 2.0
   65    63    64    66   3.62500 -1.0 2.0
   65    63    64    67   3.62500 -1.0 2.0
   65    68   -78    62  -0.25600  1.0 1.0
   65    68   -78    62  -0.40050 -1.0 2.0
   65    68   -78    62   0.34700  1.0 3.0
   69    68    78    62   0.08050  1.0 3.0
   70    68    78    62   0.08050  1.0 3.0
   78    62    63    64   3.62500 -1.0 2.0
   78    62   -63    65   3.62500 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.56750  1.0 1.0
   53    33   -38    40  -0.07550 -1.0 2.0
   53    33   -38    40   0.20000  1.0 3.0
   53    33    38    43   0.86500  1.0 1.0
   53    33    38    43  -0.17500 -1.0 2.0
   53    33    38    43   0.20800  1.0 3.0
   53    47    49    55   0.04150 -1.0 2.0
   53    47    49    66   0.04150 -1.0 2.0
   53    47    57    50   0.56750  1.0 1.0
   53    47    57    50  -0.07550 -1.0 2.0
   53    47    57    50   0.20000  1.0 3.0
   53    47    57    58   0.15000  1.0 3.0
   53    47    57    59   0.15000  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   0.20800  1.0 3.0
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
   55    66    49    47   4.00000 -1.0 2.0
   62    56    55    49   1.10000 -1.0 2.0
   63    78    62    55   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   66    67    64    63   4.00000 -1.0 2.0
   64    71    66    49   4.00000 -1.0 2.0
END
