* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    145    223     418
    1     0 S   NP   _N1_     1    28.86682    93.71713   -20.62089
    2     1 S   H    _HN1     2     1.02771    89.10720   -67.34065
    3     1 S   H    _H1_     3     1.02965    97.62728    41.08373
    4     1 S   H    _H2_     4     1.02831    25.71404   154.65946
    5     1 S   CT   _CA1     5     1.50171   135.70751   170.79150
    6     5 S   HC   _HA1     6     1.09571   105.18346    51.71280
    7     5 S   CO3  _C1_     7     1.53858   112.52716   -68.31049
    8     7 S   O2Z  _O11     8     1.26360   115.01724   -36.89535
    9     7 S   O2Z  _O12     9     1.26261   115.02474   142.32432
   10     5 S   CT   _CB1    10     1.53130   107.36931   169.66511
   11    10 S   HC   HB11    11     1.09809   109.35866   -49.26692
   12    10 S   HC   HB12    12     1.09825   110.34166    67.31410
   13    10 S   CT   _CG1    13     1.52959   112.72998  -170.45820
   14    13 S   HC   HG11    14     1.09466   110.19596   -62.39187
   15    13 S   HC   HG12    15     1.09631   110.19659    56.64417
   16    13 S   C    _CD1    16     1.51807   112.36394   176.72231
   17    16 S   O    _OE1    17     1.22719   123.17787   -15.34543
   18    16 S   N    _N2_    18     1.38602   111.65602   165.83303
   19    18 S   H    _HN2    19     1.01582   118.95583     0.64316
   20    18 S   CT1  _CA2    20     1.46293   123.57113  -178.84818
   21    20 S   HC   _HA2    21     1.09733   109.39719   -16.95220
   22    20 S   C    _C2_    22     1.53421   108.01878  -132.60771
   23    22 S   O    _O2_    23     1.22998   122.35433  -144.64090
   24    20 S   CT   _CB2    32     1.53531   111.17261   105.42617
   25    24 S   HC   HB21    33     1.09295   109.15258    53.07564
   26    24 S   HC   HB22    34     1.09502   110.59902   171.36398
   27    22 S   N    _N3_    24     1.38544   113.25903    42.63835
   28    27 S   H    _HN3    25     1.01536   118.90537    -0.45500
   29    24 S   S    _SG2    35     1.82941   111.30569   -69.87984
   30    27 S   CT   _CA3    26     1.45449   123.42066   175.16925
   31    30 S   HC   HA31    27     1.09525   109.19844    24.99311
   32    30 S   HC   HA32    28     1.09494   107.12534   141.99306
   33    29 S   CT   _C18    36     1.86582   102.59640   150.01677
   34    30 S   CO3  _C3_    29     1.52932   113.16350   -98.45838
   35    34 S   O2Z  _O31    30     1.26399   115.42928   -43.76663
   36    34 S   O2Z  _O32    31     1.26359   114.96536   137.17804
   37    33 S   CT   _C8_    37     1.56682   111.51344   -68.51487
   38    37 S   HC   _H23    38     1.09640   106.99632    63.25974
   39    33 S   CT   _C14    68     1.54311   108.10315    53.80974
   40    39 S   HC   _H32    69     1.09672   111.81481    49.35895
   41    39 S   HC   _H33    70     1.09494   112.18057   -72.24275
   42    39 S   HC   _H34    71     1.09580   111.20684   168.12766
   43    33 S   CT   _C15    72     1.54246   105.67306   168.46346
   44    43 S   HC   _H35    73     1.09749   111.44617   -56.84434
   45    43 S   HC   _H36    74     1.09398   112.86481    64.09165
   46    43 S   HC   _H37    75     1.09529   111.38845  -175.17509
   47    37 S   CO4  _C4_    39     1.53474   116.32811   -53.72801
   48    47 S   O    _O16    40     1.22913   124.04862    -8.99434
   49    47 S   CT   _C6_    41     1.51426   115.68514   168.52050
   50    49 S   HC   _H19    42     1.09568   107.55468   168.67674
   51    49 S   HC   _H20    43     1.09561   108.22560   -75.89988
   52    49 S   C3T  _C11    44     1.51339   112.98784    46.68154
   53    52 S   C3T  _C9_    45     1.51753   118.86411   -16.50957
   54    53 S   HC   _H24    46     1.08607   118.00258   147.83589
   55    52 S   CT   _C13    64     1.50722   113.94580   128.55383
   56    55 S   HC   _H29    65     1.09397   112.82708  -174.73296
   57    55 S   HC   _H30    66     1.09471   110.31110    64.14497
   58    55 S   HC   _H31    67     1.09546   110.13796   -55.17835
   59    37 S   CT   _C7_    47     1.54111   113.91235  -178.01082
   60    59 S   HC   _H21    48     1.09485   110.46051   -58.48882
   61    59 S   HC   _H22    49     1.09591   109.88739    59.55789
   62    52 S   C3T  _C10    50     1.53012   116.39456   -84.33541
   63    62 S   HC   _H25    51     1.08493   117.87589     1.66707
   64    62 S   CT   _C17    52     1.49952   123.27408  -142.77455
   65    64 S   HC   _H40    53     1.09582   111.68917   -40.45674
   66    64 S   HC   _H41    54     1.09735   108.28319  -156.64662
   67    64 S   CT   _C16    55     1.52675   111.29200    83.03624
   68    67 S   HC   _H38    56     1.09533   110.11949   -60.13169
   69    67 S   HC   _H39    57     1.09599   109.98426    58.82754
   70    67 S   CO4  _C5_    58     1.51769   112.57040   179.32740
   71    70 S   O    _O17    59     1.23002   122.85492    -1.63853
   72    70 S   CT   _C12    60     1.50665   116.11682   178.57949
   73    72 S   HC   _H26    61     1.09274   109.57659    60.51386
   74    72 S   HC   _H27    62     1.09276   109.58089   -60.54721
   75    72 S   HC   _H28    63     1.09354   109.72937   179.97202
  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  13   5   4   3
  17   2   1   1  21   9   9   3   2   1   5   2   1   1  11   5
  13   5   4  15  14   7   7   3   2   1   5   2   1   8   4   8
   5   4   8   4   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    59    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    53    59    60    61    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    51    52    53    54    59    60    61    62    39    40    41    42    43    44    45    46  
   47    48    49    53    59    60    61    39    43  
   40    41    42    43    44    45    46    47    59  
   41    42    43  
   42    43  
   43  
   44    45    46    47    59  
   45    46  
   46  
    0  
   48    49    50    51    52    53    59    60    61    62    55  
   49    50    51    52    59  
   50    51    52    53    54    59    62    63    64    55    56    57    58  
   51    52    53    62    55  
   52    53    62    55  
   53    54    59    60    61    62    63    64    65    66    67    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    55    56    57    58  
   59    60    61    62    63    64    55  
   56    57    58    59    62    63    64  
   57    58    62  
   58    62  
   62  
   60    61    62    63    64  
   61    62  
   62  
   63    64    65    66    67    68    69    70  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75  
   72    73    74    75  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    47   317.000  1.522
   37    59   268.000  1.529
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   275.000  1.510
   52    53   260.000  1.509
   52    62   260.000  1.509
   52    55   275.000  1.510
   53    54   340.000  1.088
   53    59   275.000  1.510
   53    62   260.000  1.509
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   340.000  1.088
   62    64   275.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.522
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    37    59    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    49    70.00000  116.00000
   37    59    53    70.00000  112.37300
   37    59    60    37.50000  110.70000
   37    59    61    37.50000  110.70000
   47    37    38    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    52    63.00000  111.10000
   49    47    48    80.00000  120.40000
   49    52    53    60.00000  120.94000
   49    52    62    60.00000  120.94000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    45.00000  109.38400
   52    49    51    45.00000  109.38400
   52    53    54    37.50000  117.20000
   52    53    59    60.00000  120.94000
   52    53    62    10.00000   60.00500
   52    62    53    10.00000   60.00500
   52    62    63    37.50000  117.20000
   52    62    64    60.00000  120.94000
   52    55    56    45.00000  109.38400
   52    55    57    45.00000  109.38400
   52    55    58    45.00000  109.38400
   53    59    60    45.00000  109.38400
   53    59    61    45.00000  109.38400
   53    62    63    37.50000  117.20000
   53    62    64    60.00000  120.94000
   59    37    38    37.50000  110.70000
   59    37    47    63.00000  111.10000
   59    53    54    40.00000  115.04500
   61    59    60    33.00000  107.80000
   62    52    53    10.00000   60.00500
   62    53    54    37.50000  117.20000
   62    53    59    60.00000  120.94000
   62    64    65    45.00000  109.38400
   62    64    66    45.00000  109.38400
   62    64    67    70.00000  112.37300
   64    62    63    40.00000  115.04500
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    63.00000  111.10000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    80.00000  120.40000
   67    70    72    70.00000  116.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   72    70    71    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   55    52    53    60.00000  120.94000
   55    52    62    60.00000  120.94000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    37    59   0.44750  1.0 1.0
   29    33    37    59  -0.17800 -1.0 2.0
   29    33    37    59   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    49   0.60050  1.0 1.0
   33    37    47    49   0.05600 -1.0 2.0
   33    37    47    49   0.26150  1.0 3.0
   33    37    59    53   0.47050  1.0 1.0
   33    37    59    53   0.03900 -1.0 2.0
   33    37    59    53   0.20100  1.0 3.0
   33    37    59    60   0.15000  1.0 3.0
   33    37    59    61   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.00000  1.0 1.0
   37    47    49    51   0.00000  1.0 1.0
   37    47    49    52   0.60050  1.0 1.0
   37    47    49    52   0.05600 -1.0 2.0
   37    47    49    52   0.26150  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   38    37    59    53   0.15000  1.0 3.0
   38    37    59    60   0.15000  1.0 3.0
   38    37    59    61   0.15000  1.0 3.0
   47    37    59    53  -0.95700  1.0 1.0
   47    37    59    53  -0.18200 -1.0 2.0
   47    37    59    53   0.29450  1.0 3.0
   47    37    59    60  -0.11250  1.0 3.0
   47    37    59    61  -0.11250  1.0 3.0
   47    49   -52    53  -0.95700  1.0 1.0
   47    49   -52    53  -0.18200 -1.0 2.0
   47    49   -52    53   0.29450  1.0 3.0
   47    49    52    62  -0.95700  1.0 1.0
   47    49    52    62  -0.18200 -1.0 2.0
   47    49    52    62   0.29450  1.0 3.0
   47    49    52    55  -0.95700  1.0 1.0
   47    49    52    55  -0.18200 -1.0 2.0
   47    49    52    55   0.29450  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    52   0.30150 -1.0 2.0
   49    52    53    54   0.15000  1.0 3.0
   49    52    53    59   0.56750  1.0 1.0
   49    52    53    59  -0.07550 -1.0 2.0
   49    52    53    59   0.20000  1.0 3.0
   49    52   -53    62   0.07850  1.0 1.0
   49    52   -53    62  -0.03950 -1.0 2.0
   49    52   -53    62   0.67350  1.0 3.0
   49    52   -62    53   0.07850  1.0 1.0
   49    52   -62    53  -0.03950 -1.0 2.0
   49    52   -62    53   0.67350  1.0 3.0
   49    52    62    63   0.15000  1.0 3.0
   49    52    62    64   0.56750  1.0 1.0
   49    52    62    64  -0.07550 -1.0 2.0
   49    52    62    64   0.20000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    58   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    62   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    62   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    53   -59    37   0.07850  1.0 1.0
   52    53   -59    37  -0.03950 -1.0 2.0
   52    53   -59    37   0.67350  1.0 3.0
   52    53    59    60   0.15000  1.0 3.0
   52    53    59    61   0.15000  1.0 3.0
   52    53   -62    63   0.15000  1.0 3.0
   52    53   -62    64   0.07850  1.0 1.0
   52    53   -62    64  -0.03950 -1.0 2.0
   52    53   -62    64   0.67350  1.0 3.0
   52    62    64    65   0.15000  1.0 3.0
   52    62    64    66   0.15000  1.0 3.0
   52    62    64    67   0.07850  1.0 1.0
   52    62    64    67  -0.03950 -1.0 2.0
   52    62    64    67   0.67350  1.0 3.0
   53    52   -62    63   0.15000  1.0 3.0
   53    52   -62    64   0.07850  1.0 1.0
   53    52   -62    64  -0.03950 -1.0 2.0
   53    52   -62    64   0.67350  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   53    62    64    65   0.15000  1.0 3.0
   53    62    64    66   0.15000  1.0 3.0
   53    62    64    67   0.07850  1.0 1.0
   53    62    64    67  -0.03950 -1.0 2.0
   53    62    64    67   0.67350  1.0 3.0
   54    53    59    37   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53   -62    52   0.15000  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   59    37    47    48   0.30150 -1.0 2.0
   59    37   -47    49   0.60050  1.0 1.0
   59    37   -47    49   0.05600 -1.0 2.0
   59    37   -47    49   0.26150  1.0 3.0
   59    53   -62    52   0.07850  1.0 1.0
   59    53   -62    52  -0.03950 -1.0 2.0
   59    53   -62    52   0.67350  1.0 3.0
   59    53    62    63   0.15000  1.0 3.0
   59    53    62    64   0.56750  1.0 1.0
   59    53    62    64  -0.07550 -1.0 2.0
   59    53    62    64   0.20000  1.0 3.0
   62    52   -53    54   0.15000  1.0 3.0
   62    52   -53    59   0.07850  1.0 1.0
   62    52   -53    59  -0.03950 -1.0 2.0
   62    52   -53    59   0.67350  1.0 3.0
   62    52    55    56   0.15000  1.0 3.0
   62    52    55    57   0.15000  1.0 3.0
   62    52    55    58   0.15000  1.0 3.0
   62    53    59    37   0.07850  1.0 1.0
   62    53    59    37  -0.03950 -1.0 2.0
   62    53    59    37   0.67350  1.0 3.0
   62    53    59    60   0.15000  1.0 3.0
   62    53    59    61   0.15000  1.0 3.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    69   0.15000  1.0 3.0
   62    64    67    70  -0.95700  1.0 1.0
   62    64    67    70  -0.18200 -1.0 2.0
   62    64    67    70   0.29450  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   64    67    70    71   0.30150 -1.0 2.0
   64    67    70    72   0.60050  1.0 1.0
   64    67    70    72   0.05600 -1.0 2.0
   64    67    70    72   0.26150  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70  -0.11250  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70  -0.11250  1.0 3.0
   67    70    72    73   0.00000  1.0 1.0
   67    70    72    74   0.00000  1.0 1.0
   67    70    72    75   0.00000  1.0 1.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    72   0.00000  1.0 1.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.00000  1.0 1.0
   55    52    53    54   0.15000  1.0 3.0
   55    52    53    59   0.56750  1.0 1.0
   55    52    53    59  -0.07550 -1.0 2.0
   55    52    53    59   0.20000  1.0 3.0
   55    52   -53    62   0.07850  1.0 1.0
   55    52   -53    62  -0.03950 -1.0 2.0
   55    52   -53    62   0.67350  1.0 3.0
   55    52   -62    53   0.07850  1.0 1.0
   55    52   -62    53  -0.03950 -1.0 2.0
   55    52   -62    53   0.67350  1.0 3.0
   55    52    62    63   0.15000  1.0 3.0
   55    52    62    64   0.56750  1.0 1.0
   55    52    62    64  -0.07550 -1.0 2.0
   55    52    62    64   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    37    59   0.56750  1.0 1.0
   39    33    37    59  -0.07550 -1.0 2.0
   39    33    37    59   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    37    59   0.56750  1.0 1.0
   43    33    37    59  -0.07550 -1.0 2.0
   43    33    37    59   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    49    47    48  10.50000 -1.0 2.0
   67    72    70    71  10.50000 -1.0 2.0
END
