* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    139    228     409
    1     0 S   NP   _N1_     1    29.98513    93.59293   -15.49146
    2     1 S   H    _HN1     2     1.03326   127.41778    52.88896
    3     1 S   H    _H1_     3     1.02810    41.91494   124.90846
    4     1 S   H    _H2_     4     1.02757    66.88492   -42.58078
    5     1 S   CT   _CA1     5     1.50237   119.57025  -146.06316
    6     5 S   HC   _HA1     6     1.09593   105.26880    13.41907
    7     5 S   CO3  _C1_     7     1.53874   112.23350  -106.26023
    8     7 S   O2Z  _O11     8     1.26298   115.26780   -47.04837
    9     7 S   O2Z  _O12     9     1.26267   114.84799   132.32886
   10     5 S   CT   _CB1    10     1.53068   107.18401   130.65063
   11    10 S   HC   HB11    11     1.09836   109.16299   -56.94712
   12    10 S   HC   HB12    12     1.09515   110.13975    58.80589
   13    10 S   CT   _CG1    13     1.53028   113.70875  -178.67514
   14    13 S   HC   HG11    14     1.09515   110.34602   -54.56797
   15    13 S   HC   HG12    15     1.09561   110.48632    64.67864
   16    13 S   C    _CD1    16     1.51954   111.17176  -175.37090
   17    16 S   O    _OE1    17     1.22786   122.66546   -29.82201
   18    16 S   N    _N2_    18     1.38517   112.30514   151.07275
   19    18 S   H    _HN2    19     1.01565   119.16779     2.20389
   20    18 S   CT1  _CA2    20     1.46318   123.51060  -177.71278
   21    20 S   HC   _HA2    21     1.09727   109.49710   -11.00791
   22    20 S   C    _C2_    22     1.53409   108.06842  -126.66353
   23    22 S   O    _O2_    23     1.23004   122.34266  -144.10364
   24    20 S   CT   _CB2    32     1.53568   111.26387   111.21964
   25    24 S   HC   HB21    33     1.09310   109.42528    55.34571
   26    24 S   HC   HB22    34     1.09529   110.35037   173.24872
   27    22 S   N    _N3_    24     1.38541   113.31704    43.15067
   28    27 S   H    _HN3    25     1.01523   118.93096    -0.37587
   29    24 S   S    _SG2    35     1.83088   111.43401   -68.22113
   30    27 S   CT   _CA3    26     1.45442   123.35954   175.22463
   31    30 S   HC   HA31    27     1.09530   109.12403    26.42211
   32    30 S   HC   HA32    28     1.09493   107.14259   143.40735
   33    29 S   CT   _C16    36     1.85948   102.46724   143.74363
   34    33 S   Cl   Cl1_    37     1.80564   109.77687    52.60184
   35    30 S   CO3  _C3_    29     1.52935   113.22620   -96.97843
   36    35 S   O2Z  _O31    30     1.26393   115.45943   -43.22439
   37    35 S   O2Z  _O32    31     1.26365   114.94695   137.73648
   38    33 S   CT   _C15    38     1.55844   111.16336   -66.80279
   39    38 S   HC   _H15    39     1.09941   108.88691   176.57732
   40    38 S   HC   _H16    40     1.09531   111.64007    60.33456
   41    38 S   CT   _C14    41     1.53615   113.67956   -63.15989
   42    41 S   HC   _H13    42     1.09461   109.65545    66.94247
   43    41 S   HC   _H14    43     1.09604   109.43300  -177.02303
   44    41 S   C4T  _C13    44     1.52561   110.95913   -56.08632
   45    44 S   HC   _H5_    45     1.09639   113.28003   -81.30752
   46    44 S   C4T  _C12    46     1.55557   116.79971   140.67922
   47    46 S   HC   _H4_    47     1.09207   114.47092     7.44147
   48    44 S   N4   _N5_    50     1.46657   110.44615    43.98149
   49    46 S   C4   _C18    48     1.54426    85.38797  -104.77967
   50    49 S   O    _O34    49     1.20942   135.70525   170.75044
   51    33 S   CT1  _C17    51     1.55646   110.98504   173.07641
   52    51 S   HC   _H6_    52     1.10244   105.72285  -177.88900
   53    46 S   N    _N4_    56     1.47608   114.86968   139.81589
   54    53 S   H    _H12    57     1.01687   119.04201    41.04610
   55    51 S   CO3  _C19    53     1.54807   122.18599   -61.84486
   56    55 S   O2Z  _O36    54     1.26097   116.74366     6.18738
   57    55 S   O2Z  _O35    55     1.26700   114.45921  -172.32136
   58    53 S   C    _C11    58     1.39082   122.54750  -140.05190
   59    58 S   O    _O33    59     1.23100   124.21130    -1.40556
   60    58 S   CT1  _C10    60     1.52945   112.66018   179.18507
   61    60 S   HC   _H3_    61     1.09718   108.86451   -27.47706
   62    60 S   CA   _C7_    62     1.51459   110.83093    93.24131
   63    60 S   NT   _N6_    73     1.46785   108.26766  -143.21372
   64    63 S   H    _H17    74     1.01947   109.29361   175.74605
   65    63 S   H    _H18    75     1.01970   109.42124    59.97029
   66    62 S   CA   _C6_    63     1.40322   119.87063  -111.11558
   67    66 S   HA   _H9_    64     1.08736   120.50321    -0.70025
   68    66 S   CA   _C5_    65     1.39632   120.64249   179.21565
   69    68 S   HA   _H8_    66     1.08634   119.92470   179.96044
   70    68 S   CA   _C4_    67     1.39312   120.11199    -0.16071
   71    70 S   HA   _H7_    68     1.08612   120.04766  -179.93744
   72    70 S   CA   _C9_    69     1.39299   119.90635    -0.08393
   73    72 S   HA   _H11    70     1.08627   119.99910  -179.80416
   74    62 S   CA   _C8_    71     1.40430   121.52293    67.65400
   75    74 S   HA   _H10    72     1.08755   120.40474     0.68955
  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
  15   8   2   1   1  12   6   5  10   5   4  12   6  10   6   8
   7   2   4   3   7   3   2   1   1   9   4  11   6  12   4   1
   1   8   4   6   3   5   3   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    51    52    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    49    48    51    52    55    56    57  
   38    39    40    41    48    51    52    55  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    51    52    55  
   40    41    42    43    44    51  
   41    42    43    44    51  
   42    43    44    45    46    47    49    48    51    53  
   43    44    45    46    48  
   44    45    46    48  
   45    46    47    49    50    48    51    52    55    53    54    58  
   46    47    49    48    51    53  
   47    49    50    48    51    53    54    58    59    60  
   49    50    48    53    54    58  
   51    52    55    56    57    53    49    50  
   50    51    52    55    53    54    58  
   51    53  
   52    55    56    57  
   55    56    57  
   54    58    59    60    61    62    63  
   58    59    60  
   56    57  
   57  
    0  
   59    60    61    62    66    74    63    64    65  
   60    61    62    63  
   61    62    66    67    68    72    74    75    63    64    65  
   62    66    74    63    64    65  
   66    67    68    69    70    72    73    74    75    63    64    65  
   64    65    66    74  
   65  
    0  
   67    68    69    70    71    72    74    75  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75  
   74    75  
   75  
    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   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   245.000  1.781
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   260.000  1.519
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   305.000  1.456
   46    47   340.000  1.090
   46    49   250.000  1.540
   46    53   337.000  1.449
   49    50   930.000  1.212
   49    48   440.000  1.369
   48    51   337.000  1.449
   51    52   340.000  1.090
   51    55   317.000  1.522
   55    56   656.000  1.250
   55    57   656.000  1.250
   53    54   434.000  1.010
   53    58   490.000  1.335
   58    59   570.000  1.229
   58    60   317.000  1.522
   60    61   340.000  1.090
   60    62   275.000  1.474
   60    63   305.000  1.457
   62    66   469.000  1.400
   62    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   63    64   434.000  1.010
   63    65   434.000  1.010
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  110.65400
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    51    48    80.00000  109.70000
   33    51    52    37.50000  110.70000
   33    51    55    63.00000  111.10000
   38    33    34    69.00000  109.80000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    70.00000  112.98000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    45.00000  112.72800
   41    44    46    65.00000  119.52000
   41    44    48    80.00000  110.05700
   43    41    42    33.00000  107.80000
   44    41    42    45.00000  111.22300
   44    41    43    45.00000  111.22300
   44    46    47    37.50000  110.70000
   44    46    49   100.00000   86.36000
   44    46    53    80.00000  110.05700
   44    48    49   100.00000   93.00000
   44    48    51    50.00000  132.70000
   46    44    45    37.50000  110.70000
   46    49    50    60.00000  136.58000
   46    49    48    95.00000   92.72400
   46    53    54    38.00000  118.40000
   46    53    58    50.00000  121.90000
   49    46    47    40.00000  113.37500
   49    48    51    50.00000  132.10000
   48    44    45    50.00000  112.01000
   48    44    46   105.00000   87.49700
   48    49    50    75.00000  131.60000
   48    51    52    35.00000  109.50000
   48    51    55    63.00000  110.10000
   51    33    34    69.00000  109.80000
   51    33    38    58.35000  112.70000
   51    55    56    70.00000  117.00000
   51    55    57    70.00000  117.00000
   55    51    52    35.00000  109.50000
   57    55    56    80.00000  126.00000
   53    46    47    50.00000  112.01000
   53    46    49    75.00000  110.24000
   53    58    59    80.00000  122.90000
   53    58    60    70.00000  116.60000
   58    53    54    35.00000  119.80000
   58    60    61    35.00000  109.50000
   58    60    62    70.00000  102.60000
   58    60    63    75.00000  111.54000
   60    58    59    80.00000  120.40000
   60    62    66    60.00000  125.54000
   60    62    74    60.00000  125.54000
   60    63    64    50.00000  111.55300
   60    63    65    50.00000  111.55300
   62    60    61    45.00000  110.88000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   62    74    72    63.00000  120.00000
   62    74    75    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   74    62    66    63.00000  120.00000
   74    72    73    35.00000  120.00000
   63    60    61    50.00000  109.55000
   63    60    62    75.00000  112.33000
   65    63    64    43.60000  106.40000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    51    48   0.71400  1.0 1.0
   29    33    51    48   0.04300 -1.0 2.0
   29    33    51    48   0.01450  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55  -2.17200  1.0 1.0
   29    33    51    55  -0.85700 -1.0 2.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.31550 -1.0 2.0
   33    38    41    44   0.11250  1.0 3.0
   33    51    55    56   0.00000  1.0 1.0
   33    51    55    57   0.00000  1.0 1.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.27000  1.0 3.0
   34    33    38    41   0.35600  1.0 1.0
   34    33    38    41  -0.14650 -1.0 2.0
   34    33    38    41   0.33350  1.0 3.0
   34    33    51    48   0.56750  1.0 1.0
   34    33    51    48  -0.07550 -1.0 2.0
   34    33    51    48   0.20000  1.0 3.0
   34    33    51    52   0.27000  1.0 3.0
   34    33    51    55   0.56750  1.0 1.0
   34    33    51    55  -0.07550 -1.0 2.0
   34    33    51    55   0.20000  1.0 3.0
   38    33    51    48   0.42250  1.0 1.0
   38    33    51    48  -0.48100 -1.0 2.0
   38    33    51    48   0.35650  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    55  -0.84850  1.0 1.0
   38    33    51    55  -0.22800 -1.0 2.0
   38    33    51    55   0.29250  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.04050  1.0 1.0
   38    41    44    46   0.63700 -1.0 2.0
   38    41    44    46   0.17650  1.0 3.0
   38    41   -44    48   0.43900  1.0 1.0
   38    41   -44    48   0.49100 -1.0 2.0
   38    41   -44    48   0.28400  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    47   0.15000  1.0 3.0
   41    44    46    49  -0.95700  1.0 1.0
   41    44    46    49  -0.18200 -1.0 2.0
   41    44    46    49   0.29450  1.0 3.0
   41    44    46    53   0.43900  1.0 1.0
   41    44    46    53   0.49100 -1.0 2.0
   41    44    46    53   0.28400  1.0 3.0
   41    44   -48    49   0.00000  1.0 1.0
   41    44    48    51   0.00000  1.0 1.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    48   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.00000  1.0 1.0
   43    41    44    48   0.15000  1.0 3.0
   44    46    49    50  -0.11250  1.0 1.0
   44    46    49    50   0.11400 -1.0 2.0
   44    46    49    50  -0.28950  1.0 3.0
   44    46   -49    48   3.00000 -1.0 2.0
   44    46    53    54   0.00000  1.0 1.0
   44    46    53    58  -0.43950  1.0 1.0
   44    46    53    58  -0.08100 -1.0 2.0
   44    46    53    58   0.03350  1.0 3.0
   44    48   -51    33   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    55   0.00000  1.0 1.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    46    53   0.15000  1.0 3.0
   45    44   -48    49   0.00000  1.0 1.0
   45    44    48    51   0.00000  1.0 1.0
   46    44   -48    49   0.00000  1.0 1.0
   46    44    48    51   0.00000  1.0 1.0
   46    49   -48    44   3.00000 -1.0 2.0
   46    49   -48    51   3.00000 -1.0 2.0
   46    53    58    59   3.04450 -1.0 2.0
   46    53    58    60   1.15000  1.0 1.0
   46    53    58    60   3.04450 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    48   0.00000  1.0 1.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    58   0.00000  1.0 1.0
   49    46    53    54   0.00000  1.0 1.0
   49    46    53    58  -0.42300  1.0 1.0
   49    46    53    58  -0.07000 -1.0 2.0
   49    46    53    58   0.04150  1.0 3.0
   49    48    51    33   0.00000  1.0 1.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    55   0.00000  1.0 1.0
   50    49   -48    44   3.00000 -1.0 2.0
   50    49    48    51   3.00000 -1.0 2.0
   48    44   -46    47   0.15000  1.0 3.0
   48    44   -46    49   3.00000 -1.0 2.0
   48    44    46    53   2.20050  1.0 1.0
   48    44    46    53   0.63450 -1.0 2.0
   48    44    46    53  -0.91300  1.0 3.0
   48    51    55    56   0.00000  1.0 1.0
   48    51    55    57   0.00000  1.0 1.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    41   0.56750  1.0 1.0
   51    33   -38    41  -0.07550 -1.0 2.0
   51    33   -38    41   0.20000  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    57   0.00000  1.0 1.0
   53    46    49    50   0.30150 -1.0 2.0
   53    46   -49    48   0.00000  1.0 1.0
   53    58    60    61   0.00000  1.0 1.0
   53    58    60    62   0.00000  1.0 1.0
   53    58    60    63   0.00000  1.0 1.0
   54    53    58    59   2.45000 -1.0 2.0
   54    53    58    60   2.45000 -1.0 2.0
   58    60    62    66   0.04300 -1.0 2.0
   58    60    62    74   0.04300 -1.0 2.0
   58    60    63    64   0.21900  1.0 1.0
   58    60    63    64  -0.24900 -1.0 2.0
   58    60    63    64   0.15200  1.0 3.0
   58    60    63    65   0.21900  1.0 1.0
   58    60    63    65  -0.24900 -1.0 2.0
   58    60    63    65   0.15200  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.30150 -1.0 2.0
   59    58    60    63   0.30150 -1.0 2.0
   60    62    66    67   3.62500 -1.0 2.0
   60    62    66    68   3.62500 -1.0 2.0
   60    62    74    72   3.62500 -1.0 2.0
   60    62    74    75   3.62500 -1.0 2.0
   61    60    62    66   0.00000  1.0 1.0
   61    60    62    74   0.00000  1.0 1.0
   61    60    63    64   0.20000  1.0 3.0
   61    60    63    65   0.20000  1.0 3.0
   62    60    63    64   0.76500  1.0 1.0
   62    60    63    64   0.05700 -1.0 2.0
   62    60    63    64  -0.90900  1.0 3.0
   62    60    63    65   0.76500  1.0 1.0
   62    60    63    65   0.05700 -1.0 2.0
   62    60    63    65  -0.90900  1.0 3.0
   62    66    68    69   3.62500 -1.0 2.0
   62    66    68    70   3.62500 -1.0 2.0
   66    62    74    72   3.62500 -1.0 2.0
   66    62    74    75   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    62   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   73    72    74    62   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    62    66    67   3.62500 -1.0 2.0
   74    62   -66    68   3.62500 -1.0 2.0
   63    60    62    66   0.18550 -1.0 2.0
   63    60    62    66   0.14000  1.0 3.0
   63    60    62    74   0.18550 -1.0 2.0
   63    60    62    74   0.14000  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
   46    48    49    50  10.50000 -1.0 2.0
   51    49    48    44   1.00000 -1.0 2.0
   56    51    55    57  10.50000 -1.0 2.0
   54    58    53    46   1.00000 -1.0 2.0
   53    60    58    59  10.50000 -1.0 2.0
   66    74    62    60   4.00000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    62   1.10000 -1.0 2.0
END
