* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    132    212     382
    1     0 S   NP   _N1_     1    30.85534    92.42286   -16.37186
    2     1 S   H    _HN1     2     1.02854    52.25098   103.26186
    3     1 S   H    _H1_     3     1.02786    69.75980   -31.15360
    4     1 S   H    _H2_     4     1.03128   153.09372    57.52698
    5     1 S   CT   _CA1     5     1.50110    94.02286  -143.02822
    6     5 S   HC   _HA1     6     1.09560   105.56287    14.04085
    7     5 S   CO3  _C1_     7     1.53841   112.13455  -106.50054
    8     7 S   O2Z  _O11     8     1.26362   115.35757   -62.54962
    9     7 S   O2Z  _O12     9     1.26239   114.77008   116.77713
   10     5 S   CT   _CB1    10     1.52870   107.18932   131.98025
   11    10 S   HC   HB11    11     1.09840   109.88827   -52.71135
   12    10 S   HC   HB12    12     1.09629   109.41882    62.73396
   13    10 S   CT   _CG1    13     1.53228   113.30476  -173.93579
   14    13 S   HC   HG11    14     1.09527   112.04294   -42.55376
   15    13 S   HC   HG12    15     1.09547   110.65575    76.87860
   16    13 S   C    _CD1    16     1.51373   109.33072  -162.95570
   17    16 S   O    _OE1    17     1.22750   121.98384   -95.11699
   18    16 S   N    _N2_    18     1.38551   112.34505    82.21038
   19    18 S   H    _HN2    19     1.01606   119.05512     7.33366
   20    18 S   CT1  _CA2    20     1.46170   123.56140  -169.73515
   21    20 S   HC   _HA2    21     1.09739   109.14109     5.35240
   22    20 S   C    _C2_    22     1.53300   109.13775  -110.98821
   23    22 S   O    _O2_    23     1.23056   122.13383  -142.09949
   24    20 S   CT   _CB2    32     1.53836   111.11473   126.40843
   25    24 S   HC   HB21    33     1.09478   109.39779    63.70671
   26    24 S   HC   HB22    34     1.09429   109.69213  -177.49634
   27    22 S   N    _N3_    24     1.38464   113.61957    45.01932
   28    27 S   H    _HN3    25     1.01492   119.10255     0.32805
   29    24 S   S    _SG2    35     1.82912   111.02295   -56.24726
   30    27 S   CT   _CA3    26     1.45423   123.14960   175.90007
   31    30 S   HC   HA31    27     1.09545   108.93033    30.30433
   32    30 S   HC   HA32    28     1.09492   107.19663   147.20051
   33    29 S   CT   _C6_    36     1.87003   102.65291  -170.96182
   34    30 S   CO3  _C3_    29     1.52922   113.32272   -92.99953
   35    34 S   O2Z  _O31    30     1.26385   115.47438   -44.87369
   36    34 S   O2Z  _O32    31     1.26373   114.95359   136.11810
   37    33 S   CT   _C7_    37     1.56385   111.65196   -51.19212
   38    37 S   HC   _H9_    38     1.09521   111.33047    62.98588
   39    37 S   HC   _H10    39     1.09765   109.57283   179.73239
   40    33 S   CM   _C5_    70     1.53116   106.29205    71.31547
   41    40 S   HC   _H8_    71     1.08997   116.35601    53.35688
   42    37 S   S    _S1_    40     1.82963   116.64800   -60.05857
   43    40 S   CM   _C4_    72     1.34010   128.07521  -126.54171
   44    43 S   HC   _H6_    73     1.08558   119.89414   179.91607
   45    43 S   HC   _H7_    74     1.08286   123.07167    -0.10835
   46    42 S   C4T  _C8_    41     1.83057    96.59683   -57.30975
   47    46 S   HC   _H3_    42     1.09398   114.97284   -79.41243
   48    46 S   C4T  _C9_    43     1.55268   115.29831   143.17597
   49    48 S   HC   _H4_    44     1.09861   113.43648   153.34276
   50    46 S   N4   _N4_    47     1.46102   108.73046    48.51352
   51    48 S   C4   _C10    45     1.54645    84.79134   -96.14597
   52    51 S   O    _O33    46     1.20918   135.95387   166.55455
   53    33 S   CT1  _C11    48     1.56817   109.27296  -171.35287
   54    53 S   HC   _H5_    49     1.10314   104.87328  -177.53423
   55    48 S   N    _N5_    53     1.47414   117.84977    20.47185
   56    55 S   H    _H11    54     1.02114   120.06046   -70.86750
   57    53 S   CO3  _C12    50     1.55545   123.25936   -62.10649
   58    57 S   O2Z  _O35    51     1.26027   117.09662    13.21658
   59    57 S   O2Z  _O34    52     1.26756   114.19752  -166.26168
   60    55 S   C    _C13    55     1.37952   122.02382   108.21976
   61    60 S   O    _O36    56     1.22149   128.19991    -0.60101
   62    60 S   CD   _C14    57     1.50486   113.42066   178.60787
   63    62 S   C5B  _C15    58     1.45318   119.57608   -88.49462
   64    62 S   NI   _N6_    67     1.29826   121.69297    92.09998
   65    63 S   C5A  _C16    59     1.38186   125.48721  -176.26897
   66    65 S   HA   _H13    60     1.08101   128.81799    -0.06853
   67    64 S   OH   _O37    68     1.39803   111.46426    -0.44980
   68    67 S   HO   _H12    69     0.97273   101.74452  -178.81337
   69    65 S   SA   _S2_    61     1.71101   110.18690  -179.83449
   70    69 S   CRA  _C17    62     1.72210    89.91065     0.07133
   71    63 S   N5B  _N7_    63     1.38916   120.14651     4.19232
   72    70 S   NE   _N8_    64     1.34654   120.39012   179.87333
   73    72 S   H    _H14    65     1.01407   121.64990   177.62414
   74    72 S   H    _H15    66     1.01435   121.81543     0.88160
  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  12   5   4   3
  17   2   1   1  13   5   4   9   4   8   3   1   1  12   6  10
   6   8   7   2   4   3   6   3   2   1   1   7   3   9   8   4
   5   3   1   1   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    53    54    57    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    46    51    50    53    54    57    58    59    40    41    43    44    45  
   35    36  
   36  
    0  
   38    39    42    46    47    48    50    53    54    57    40    41    43  
   39    42    46    53    40  
   42    46    53    40  
   41    43    44    45    42    50    53    54    57  
   43    44    45    53  
   46    47    48    49    51    50    53    55  
   44    45    53  
   45  
    0  
   47    48    49    51    52    50    53    54    57    55    56    60  
   48    49    51    50    53    55  
   49    51    52    50    53    55    56    60    61    62  
   51    52    50    55    56    60  
   53    54    57    58    59    55    51    52  
   52    53    54    57    55    56    60  
   53    55  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    64  
   60    61    62  
   58    59  
   59  
    0  
   61    62    63    65    71    64    67  
   62    63    64  
   63    65    66    69    70    71    64    67    68  
   65    66    69    70    71    72    64    67  
   67    68    65    71  
   66    69    70    71    72  
   69    70    71  
   68  
    0  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   64   3.2800   0.1700  -0.396200   1.8540   1.6400   0.005000000   0.000000000
   65   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   67   2.9000   0.1400  -0.383600   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.390100   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   70   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   71   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   72   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   73   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.360000   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    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    53   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   222.000  1.810
   42    46   200.000  1.824
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   305.000  1.456
   48    49   340.000  1.090
   48    51   250.000  1.540
   48    55   337.000  1.449
   51    52   930.000  1.212
   51    50   440.000  1.369
   50    53   337.000  1.449
   53    54   340.000  1.090
   53    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   55    56   434.000  1.010
   55    60   490.000  1.335
   60    61   570.000  1.229
   60    62   270.000  1.486
   62    63   305.000  1.466
   62    64   500.000  1.261
   63    65   520.000  1.370
   63    71   410.000  1.394
   65    66   367.000  1.080
   65    69   265.000  1.745
   69    70   250.000  1.765
   70    71   488.000  1.335
   70    72   420.000  1.385
   72    73   434.000  1.010
   72    74   434.000  1.010
   64    67   285.000  1.423
   67    68   553.000  0.945
   40    41   340.000  1.080
   40    43   549.000  1.340
   43    44   340.000  1.080
   43    45   340.000  1.080
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    53    75.00000  108.68000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    75.00000  111.63000
   33    53    50    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    57    63.00000  111.10000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   37    42    46    85.00000   99.86700
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    47    45.00000  109.41400
   42    46    48    65.00000  119.05700
   42    46    50    80.00000  108.62000
   46    48    49    37.50000  110.70000
   46    48    51   100.00000   86.36000
   46    48    55    80.00000  110.05700
   46    50    51   100.00000   93.00000
   46    50    53    50.00000  132.70000
   48    46    47    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    50    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    60    50.00000  121.90000
   51    48    49    40.00000  113.37500
   51    50    53    50.00000  132.10000
   50    46    47    50.00000  112.01000
   50    46    48   105.00000   87.49700
   50    51    52    75.00000  131.60000
   50    53    54    35.00000  109.50000
   50    53    57    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    57    58    70.00000  117.00000
   53    57    59    70.00000  117.00000
   57    53    54    35.00000  109.50000
   59    57    58    80.00000  126.00000
   55    48    49    50.00000  112.01000
   55    48    51    75.00000  110.24000
   55    60    61    80.00000  122.90000
   55    60    62    75.00000  109.57000
   60    55    56    35.00000  119.80000
   60    62    63    75.00000  114.44000
   60    62    64    65.00000  123.79500
   62    60    61    80.00000  120.45000
   62    63    65    60.00000  121.09900
   62    63    71    60.00000  126.00000
   62    64    67   110.00000  106.87200
   63    65    66    35.00000  130.70000
   63    65    69    80.00000  111.29200
   63    71    70    70.00000  110.00000
   65    69    70   120.00000   89.04400
   69    65    66    40.00000  122.38200
   69    70    71    80.00000  114.57700
   69    70    72    70.00000  122.29500
   70    72    73    35.00000  113.50000
   70    72    74    35.00000  113.50000
   71    63    65    70.00000  111.00000
   72    70    71    75.00000  125.31200
   74    72    73    35.00000  109.00000
   64    62    63    65.00000  124.33800
   64    67    68    80.00000  101.76000
   40    33    37    70.00000  112.02700
   40    33    53    70.00000  112.02700
   40    43    44    35.00000  120.00000
   40    43    45    35.00000  120.00000
   43    40    41    35.00000  120.00000
   45    43    44    35.00000  117.00000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    53    50   0.71400  1.0 1.0
   29    33    53    50   0.04300 -1.0 2.0
   29    33    53    50   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57  -2.17200  1.0 1.0
   29    33    53    57  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    42    46  -0.25000 -1.0 2.0
   33    37    42    46  -0.01800  1.0 3.0
   33    53    57    58   0.00000  1.0 1.0
   33    53    57    59   0.00000  1.0 1.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   7.00000 -1.0 2.0
   37    33    53    50   0.42250  1.0 1.0
   37    33    53    50  -0.48100 -1.0 2.0
   37    33    53    50   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57  -0.84850  1.0 1.0
   37    33    53    57  -0.22800 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    43   0.09850  1.0 1.0
   37    33    40    43   0.15250 -1.0 2.0
   37    33    40    43  -0.50650  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    48   0.25150  1.0 1.0
   37    42    46    48  -1.17200 -1.0 2.0
   37    42    46    48   0.53050  1.0 3.0
   37    42   -46    50   0.01700  1.0 1.0
   37    42   -46    50  -0.23550 -1.0 2.0
   37    42   -46    50   0.21350  1.0 3.0
   38    37    42    46   0.32350  1.0 3.0
   39    37    42    46   0.32350  1.0 3.0
   42    46    48    49   0.00000  1.0 1.0
   42    46    48    51   0.00000  1.0 1.0
   42    46    48    55   0.00000  1.0 1.0
   42    46   -50    51   0.00000  1.0 1.0
   42    46    50    53   0.00000  1.0 1.0
   46    48    51    52  -0.11250  1.0 1.0
   46    48    51    52   0.11400 -1.0 2.0
   46    48    51    52  -0.28950  1.0 3.0
   46    48   -51    50   3.00000 -1.0 2.0
   46    48    55    56   0.00000  1.0 1.0
   46    48    55    60  -0.43950  1.0 1.0
   46    48    55    60  -0.08100 -1.0 2.0
   46    48    55    60   0.03350  1.0 3.0
   46    50   -53    33   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    57   0.00000  1.0 1.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46   -50    51   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   48    46   -50    51   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    51   -50    46   3.00000 -1.0 2.0
   48    51   -50    53   3.00000 -1.0 2.0
   48    55    60    61   3.04450 -1.0 2.0
   48    55    60    62   1.49850  1.0 1.0
   48    55    60    62   1.53950 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    50   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    60   0.00000  1.0 1.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    60  -0.42300  1.0 1.0
   51    48    55    60  -0.07000 -1.0 2.0
   51    48    55    60   0.04150  1.0 3.0
   51    50    53    33   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    57   0.00000  1.0 1.0
   52    51   -50    46   3.00000 -1.0 2.0
   52    51    50    53   3.00000 -1.0 2.0
   50    46   -48    49   0.15000  1.0 3.0
   50    46   -48    51   3.00000 -1.0 2.0
   50    46    48    55   2.20050  1.0 1.0
   50    46    48    55   0.63450 -1.0 2.0
   50    46    48    55  -0.91300  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    59   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    42   0.44750  1.0 1.0
   53    33   -37    42  -0.17800 -1.0 2.0
   53    33   -37    42   0.20200  1.0 3.0
   53    33    40    41   0.00000  1.0 1.0
   53    33    40    43   0.09850  1.0 1.0
   53    33    40    43   0.15250 -1.0 2.0
   53    33    40    43  -0.50650  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    50   0.00000  1.0 1.0
   55    60    62    63   1.50000 -1.0 2.0
   55    60    62    64   1.50000 -1.0 2.0
   56    55    60    61   2.45000 -1.0 2.0
   56    55    60    62   2.56700 -1.0 2.0
   60    62    63    65   0.30050 -1.0 2.0
   60    62    63    65   0.16600  1.0 3.0
   60    62    63    71   0.30050 -1.0 2.0
   60    62    63    71   0.16600  1.0 3.0
   60    62    64    67   6.00000 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    60    62    64   1.00000 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    69   3.62500 -1.0 2.0
   62    63    71    70   3.62500 -1.0 2.0
   62    64    67    68   1.00000 -1.0 2.0
   63    62    64    67   6.00000 -1.0 2.0
   63    65   -69    70   3.62500 -1.0 2.0
   65    63   -71    70   2.40000 -1.0 2.0
   65    69   -70    71   3.62500 -1.0 2.0
   65    69    70    72   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   69    70   -71    63   3.62500 -1.0 2.0
   69    70    72    73   0.47600 -1.0 2.0
   69    70    72    74   0.47600 -1.0 2.0
   71    63    65    66   3.62500 -1.0 2.0
   71    63   -65    69   3.62500 -1.0 2.0
   71    70    72    73   1.75000 -1.0 2.0
   71    70    72    74   1.75000 -1.0 2.0
   72    70    71    63   3.62500 -1.0 2.0
   64    62    63    65   1.02250 -1.0 2.0
   64    62    63    71   1.02250 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    53    50   0.21700  1.0 1.0
   40    33    53    50   0.68550 -1.0 2.0
   40    33    53    50  -0.27950  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    57  -0.98800  1.0 1.0
   40    33    53    57   0.48800 -1.0 2.0
   40    33    53    57   0.76800  1.0 3.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    45   7.00000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   48    50    51    52  10.50000 -1.0 2.0
   53    51    50    46   1.00000 -1.0 2.0
   58    53    57    59  10.50000 -1.0 2.0
   56    60    55    48   1.00000 -1.0 2.0
   55    62    60    61  10.50000 -1.0 2.0
   60    63    62    64  10.50000 -1.0 2.0
   65    71    63    62   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   71    72    70    69   4.00000 -1.0 2.0
   74    70    72    73   1.00000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   44    45    43    40  15.00000 -1.0 2.0
END
