* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    141    219     414
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02101    48.89042  -127.77217
    3     1 S   H    _H1_     3     1.02055   105.88971   -26.59919
    4     1 S   H    _H2_     4     1.02043    63.51826    76.77202
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C19    36     1.82810    98.53577   180.00000
   34    33 S   F    _F21    37     1.36477   108.75992   -56.88927
   35    33 S   F    _F22    38     1.36600   108.75117    56.84823
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CA   _C9_    39     1.50735   110.08270   179.97202
   40    39 S   CA   _C6_    40     1.39715   118.02839   -88.82648
   41    40 S   HA   _H29    41     1.08713   120.54026    -0.02798
   42    40 S   CA   _C4_    42     1.38961   120.05282   179.98022
   43    42 S   HA   _H27    43     1.08532   120.31341   180.00000
   44    42 S   CA   _C5_    44     1.39218   119.51364     0.02798
   45    44 S   HA   _H28    45     1.08748   118.03786  -180.00000
   46    44 S   CA   _C8_    46     1.40449   120.45233    -0.02798
   47    46 S   CA   _C10    47     1.40110   121.63814   180.00000
   48    47 S   CA   _C7_    48     1.38747   120.25447  -179.98022
   49    48 S   HA   _H30    49     1.08503   121.24650   180.00000
   50    47 S   CT   _C18    57     1.49718   122.13727     0.02798
   51    50 S   HC   _H40    58     1.10164   111.70386     0.02798
   52    48 S   CA   _C12    50     1.37959   117.49026    -0.00000
   53    50 S   CT   _C17    59     1.52772   112.94346   122.24938
   54    53 S   HC   _H39    60     1.09732   107.90989    59.96949
   55    50 S   OH   _O20    75     1.43023   108.89856  -117.55926
   56    55 S   HO   _H42    76     0.96892   106.26820   -59.99423
   57    52 S   NB   _N18    51     1.35328   124.14741     0.00000
   58    52 S   CT   _C20    53     1.49248   119.39837   180.00000
   59    58 S   F    _F23    54     1.36553   113.59761    -0.04423
   60    58 S   F    _F24    55     1.36547   113.60039   120.09124
   61    58 S   F    _F25    56     1.36519   112.60114  -119.96177
   62    53 S   CT   _C15    61     1.53551   110.49157   -59.60743
   63    62 S   HC   _H35    62     1.09584   110.10934    61.96005
   64    62 S   HC   _H36    63     1.09849   110.11620   -55.56628
   65    39 S   CA   _C11    52     1.39228   120.37040    91.17856
   66    62 S   CT   _C13    64     1.52646   111.20210  -176.67010
   67    66 S   HC   _H31    65     1.09632   109.45700   -68.34417
   68    66 S   HC   _H32    66     1.09631   110.03802   174.23442
   69    66 S   CT   _C14    67     1.52470   110.60977    52.40548
   70    69 S   HC   _H33    68     1.09794   109.44109    69.13742
   71    69 S   HC   _H34    69     1.09606   109.68884  -173.80191
   72    69 S   CT   _C16    70     1.52685   111.21266   -52.14465
   73    72 S   HC   _H37    71     1.09558   109.45310   175.93982
   74    72 S   HC   _H38    72     1.09582   110.38014   -66.93188
   75    53 S   NTH  _N19    73     1.46765   109.09904   178.35682
   76    75 S   H    _H41    74     1.01999   109.27787    59.96692
  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   6   5   4   3
   9   4   3   2   1   1  10   8   4   6   3   7   3  10  14  12
   4  14   6   6  15   8   3   1   5   4   2   1   1  11   6   5
   1   9   5   4   7   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    65  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    57    65  
   35    39    40    65  
   39    40    65  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    52    57    65  
   41    42    43    44    45    46    57    65  
   42    43    44    65  
   43    44    45    46    47    65  
   44    45    46  
   45    46    47    48    57    65    50  
   46    47    65  
   47    48    49    52    57    65    50    51    53    55  
   48    49    52    57    65    58    50    51    53    54    62    75    55    56  
   49    52    57    65    58    59    60    61    50    51    53    55  
   52    57    58    50  
   51    53    54    62    63    64    66    72    75    76    55    56    52    65  
   53    54    62    75    55    56  
   57    65    58    59    60    61  
   54    62    63    64    66    67    68    69    72    73    74    75    76    55    56  
   62    63    64    66    72    75    76    55  
   56    62    75  
    0  
   65    58    59    60    61  
   59    60    61    65  
   60    61  
   61  
    0  
   63    64    66    67    68    69    70    71    72    75    76  
   64    66    67    68    69    75  
   66    67    68    69    75  
    0  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   3.2500   0.0620   0.362500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.353500   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.043300   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.138800   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.206000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.155400   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.167300   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.152800   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.173600   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.066100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.484900   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.197000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.370500   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.2800   0.1700  -0.731100   1.8650   1.6500   0.001000000  -0.511443539
   58   3.2500   0.0620   0.715000   2.4950   1.7500   0.005000000  -0.741685710
   59   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   60   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   61   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.734100   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   76   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    65   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   469.000  1.400
   46    65   469.000  1.400
   47    48   469.000  1.400
   47    50   317.000  1.510
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    57   483.000  1.339
   52    58   317.000  1.510
   57    65   483.000  1.339
   58    59   367.000  1.332
   58    60   367.000  1.332
   58    61   367.000  1.332
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    55   320.000  1.410
   53    54   340.000  1.090
   53    62   268.000  1.529
   53    75   305.000  1.454
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   305.000  1.454
   75    76   500.000  1.015
   55    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    65    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    65    46    63.00000  120.00000
   39    65    57    70.00000  124.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    63.00000  120.00000
   44    46    65    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    47    48    63.00000  120.00000
   46    47    50    70.00000  120.00000
   46    65    57    70.00000  124.00000
   47    48    49    35.00000  120.00000
   47    48    52    63.00000  120.00000
   47    50    51    35.00000  109.50000
   47    50    53    70.00000  112.17500
   47    50    55    90.00000  112.51600
   48    52    57    70.00000  124.00000
   48    52    58    70.00000  120.00000
   52    48    49    35.00000  120.00000
   52    57    65    70.00000  117.00000
   52    58    59    50.00000  109.50000
   52    58    60    50.00000  109.50000
   52    58    61    50.00000  109.50000
   65    39    40    63.00000  120.00000
   65    46    47    63.00000  120.00000
   58    52    57    75.00000  115.74700
   60    58    59    77.00000  109.10000
   61    58    59    77.00000  109.10000
   61    58    60    77.00000  109.10000
   50    47    48    70.00000  120.00000
   50    53    54    37.50000  110.70000
   50    53    62    58.35000  112.70000
   50    53    75    80.00000  111.29100
   50    55    56    55.00000  108.50000
   53    50    51    37.50000  110.70000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    66    58.35000  112.70000
   53    75    72    75.00000  112.02600
   53    75    76    50.00000  109.23200
   62    53    54    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   64    62    63    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    80.00000  111.29100
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    50.00000  109.23200
   74    72    73    33.00000  107.80000
   75    53    54    50.00000  110.59500
   75    53    62    80.00000  111.29100
   75    72    73    50.00000  110.59500
   75    72    74    50.00000  110.59500
   55    50    51    35.00000  109.50000
   55    50    53    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    65  -0.16000  1.0 1.0
   29    33    39    65  -0.03200 -1.0 2.0
   29    33    39    65   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    65    46   3.62500 -1.0 2.0
   33    39    65    57   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    65   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    65   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    65    46   3.62500 -1.0 2.0
   40    39    65    57   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    65   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46    47    48   3.62500 -1.0 2.0
   44    46    47    50   3.62500 -1.0 2.0
   44    46   -65    39   3.62500 -1.0 2.0
   44    46    65    57   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    65   3.62500 -1.0 2.0
   46    47    48    49   3.62500 -1.0 2.0
   46    47    48    52   3.62500 -1.0 2.0
   46    47    50    51   0.00000  1.0 1.0
   46    47    50    53   0.04150 -1.0 2.0
   46    47    50    55   0.14300 -1.0 2.0
   46    47    50    55   0.00300  1.0 3.0
   47    46    65    39   3.62500 -1.0 2.0
   47    46    65    57   3.62500 -1.0 2.0
   47    48   -52    57   3.62500 -1.0 2.0
   47    48    52    58   3.62500 -1.0 2.0
   47    50    53    54   0.43200  1.0 3.0
   47    50    53    62  -0.03700  1.0 1.0
   47    50    53    62   0.37200 -1.0 2.0
   47    50    53    62  -0.47300  1.0 3.0
   47    50    53    75   0.83750  1.0 1.0
   47    50    53    75   0.32200 -1.0 2.0
   47    50    53    75   0.70600  1.0 3.0
   47    50    55    56   0.31900  1.0 1.0
   47    50    55    56  -0.11800 -1.0 2.0
   47    50    55    56   0.38750  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    53   0.04150 -1.0 2.0
   48    47    50    55   0.14300 -1.0 2.0
   48    47    50    55   0.00300  1.0 3.0
   48    52    57    65   3.62500 -1.0 2.0
   48    52    58    59   0.00000  1.0 1.0
   48    52    58    60   0.00000  1.0 1.0
   48    52    58    61   0.00000  1.0 1.0
   49    48    52    57   3.62500 -1.0 2.0
   49    48    52    58   3.62500 -1.0 2.0
   52    57    65    39   3.62500 -1.0 2.0
   52    57   -65    46   3.62500 -1.0 2.0
   57    52    58    59   0.21350  1.0 3.0
   57    52    58    60   0.21350  1.0 3.0
   57    52    58    61   0.21350  1.0 3.0
   65    39    40    41   3.62500 -1.0 2.0
   65    39   -40    42   3.62500 -1.0 2.0
   65    46   -47    48   3.62500 -1.0 2.0
   65    46    47    50   3.62500 -1.0 2.0
   58    52    57    65   3.62500 -1.0 2.0
   50    47    48    49   3.62500 -1.0 2.0
   50    47    48    52   3.62500 -1.0 2.0
   50    53    62    63   0.15000  1.0 3.0
   50    53    62    64   0.15000  1.0 3.0
   50    53    62    66   0.56750  1.0 1.0
   50    53    62    66  -0.07550 -1.0 2.0
   50    53    62    66   0.20000  1.0 3.0
   50    53    75    72  -0.35450  1.0 1.0
   50    53    75    72   0.44050 -1.0 2.0
   50    53    75    72   0.77100  1.0 3.0
   50    53    75    76   0.03200  1.0 1.0
   50    53    75    76   0.33800 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    62   0.15000  1.0 3.0
   51    50    53    75   0.15000  1.0 3.0
   51    50    55    56   0.19450  1.0 3.0
   53    50    55    56  -0.11600  1.0 1.0
   53    50    55    56  -0.09450 -1.0 2.0
   53    50    55    56   0.21250  1.0 3.0
   53    62    66    67   0.15000  1.0 3.0
   53    62    66    68   0.15000  1.0 3.0
   53    62    66    69   0.56750  1.0 1.0
   53    62    66    69  -0.07550 -1.0 2.0
   53    62    66    69   0.20000  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    66   0.15000  1.0 3.0
   54    53    75    72   0.28000  1.0 3.0
   54    53    75    76   0.20000  1.0 3.0
   62    53    75    72  -0.35450  1.0 1.0
   62    53    75    72   0.44050 -1.0 2.0
   62    53    75    72   0.77100  1.0 3.0
   62    53    75    76   0.03200  1.0 1.0
   62    53    75    76   0.33800 -1.0 2.0
   62    66    69    70   0.15000  1.0 3.0
   62    66    69    71   0.15000  1.0 3.0
   62    66   -69    72   0.56750  1.0 1.0
   62    66   -69    72  -0.07550 -1.0 2.0
   62    66   -69    72   0.20000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   64    62    66    67   0.15000  1.0 3.0
   64    62    66    68   0.15000  1.0 3.0
   64    62    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   1.53400  1.0 1.0
   66    69    72    75  -0.09950 -1.0 2.0
   66    69    72    75   0.05700  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -75    53  -0.35450  1.0 1.0
   69    72   -75    53   0.44050 -1.0 2.0
   69    72   -75    53   0.77100  1.0 3.0
   69    72    75    76   0.03200  1.0 1.0
   69    72    75    76   0.33800 -1.0 2.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   73    72    75    53   0.28000  1.0 3.0
   73    72    75    76   0.20000  1.0 3.0
   74    72    75    53   0.28000  1.0 3.0
   74    72    75    76   0.20000  1.0 3.0
   75    53    62    63   0.15000  1.0 3.0
   75    53    62    64   0.15000  1.0 3.0
   75    53   -62    66   1.53400  1.0 1.0
   75    53   -62    66  -0.09950 -1.0 2.0
   75    53   -62    66   0.05700  1.0 3.0
   55    50    53    54   0.23400  1.0 3.0
   55    50    53    62   0.86500  1.0 1.0
   55    50    53    62  -0.17500 -1.0 2.0
   55    50    53    62   0.20800  1.0 3.0
   55    50    53    75   4.49050  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   40    65    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   47    65    46    44   4.00000 -1.0 2.0
   48    50    47    46   4.00000 -1.0 2.0
   52    49    48    47   1.10000 -1.0 2.0
   58    57    52    48   4.00000 -1.0 2.0
   46    57    65    39   4.00000 -1.0 2.0
END
