* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    134    197     378
    1     0 S   NP   _N1_     1    30.10028    92.73447   -25.99816
    2     1 S   H    _HN1     2     1.02787   120.14758  -105.66280
    3     1 S   H    _H1_     3     1.02949    93.07928     7.68173
    4     1 S   H    _H2_     4     1.02833    15.62808  -146.23961
    5     1 S   CT   _CA1     5     1.50099   110.75185   120.90275
    6     5 S   HC   _HA1     6     1.09572   105.20886    75.95319
    7     5 S   CO3  _C1_     7     1.53787   112.46537   -44.32973
    8     7 S   O2Z  _O11     8     1.26371   115.00000   -42.75036
    9     7 S   O2Z  _O12     9     1.26236   114.94650   136.44963
   10     5 S   CT   _CB1    10     1.53092   107.45754  -166.02002
   11    10 S   HC   HB11    11     1.09832   109.41662   -49.59403
   12    10 S   HC   HB12    12     1.09814   110.43984    67.03341
   13    10 S   CT   _CG1    13     1.52996   112.57154  -170.55496
   14    13 S   HC   HG11    14     1.09580   110.65221   -65.19068
   15    13 S   HC   HG12    15     1.09668   109.77156    54.03827
   16    13 S   C    _CD1    16     1.51779   112.23003   174.55051
   17    16 S   O    _OE1    17     1.22740   123.31028     7.71554
   18    16 S   N    _N2_    18     1.38655   111.70771  -172.59747
   19    18 S   H    _HN2    19     1.01599   118.93671     1.73054
   20    18 S   CT1  _CA2    20     1.46070   123.38937   177.27624
   21    20 S   HC   _HA2    21     1.09588   109.29315     2.37652
   22    20 S   C    _C2_    22     1.53562   108.94153  -112.64326
   23    22 S   O    _O2_    23     1.23060   122.18859  -149.52918
   24    20 S   CT   _CB2    32     1.53287   111.64065   124.83699
   25    24 S   HC   HB21    33     1.09663   109.65867    61.17666
   26    24 S   HC   HB22    34     1.09556   110.91785   178.26867
   27    22 S   N    _N3_    24     1.38291   113.74707    38.03871
   28    27 S   H    _HN3    25     1.01579   119.60716    -3.52936
   29    24 S   S    _SG2    35     1.83051   114.84004   -58.74052
   30    27 S   CT   _CA3    26     1.45283   123.24532   177.01351
   31    30 S   HC   HA31    27     1.09548   107.53958   -64.01237
   32    30 S   HC   HA32    28     1.09555   107.96457    52.44225
   33    29 S   CTHO _C19    36     1.82149   100.34234   -60.05050
   34    33 S   F    F1__    37     1.36185   108.12206  -169.24563
   35    33 S   HC   _H3_    38     1.09439   108.25925    73.26159
   36    30 S   CO3  _C3_    29     1.52967   114.02915   174.42132
   37    36 S   O2Z  _O31    30     1.26384   116.04072    -0.34435
   38    36 S   O2Z  _O32    31     1.26421   114.42142   179.70725
   39    33 S   OS   _O36    39     1.42486   111.72877   -50.81367
   40    39 S   CA   _C15    40     1.37155   117.42848   167.72538
   41    40 S   CA   _C16    41     1.40177   114.28106  -170.48128
   42    41 S   HA   _H17    42     1.08846   119.75556     0.27411
   43    41 S   CA   _C17    43     1.40105   121.55454  -179.94766
   44    43 S   HA   _H18    44     1.08504   120.59205  -179.81869
   45    43 S   C56B _C18    45     1.40227   118.38629     0.19483
   46    45 S   C56A _C13    46     1.39025   119.12285     0.14537
   47    40 S   CA   _C14    47     1.40158   125.19418    10.18074
   48    47 S   HA   _H16    48     1.08325   123.14301     0.38715
   49    46 S   NA   _N5_    49     1.37144   104.33117   179.69036
   50    49 S   H    _H15    50     1.01133   126.15357  -179.89913
   51    49 S   CRA  _C12    51     1.37018   107.94989     0.57130
   52    45 S   N5B  _N6_    52     1.37522   129.95822   180.00000
   53    51 S   SZ   _S1_    53     1.73310   124.18253  -179.54458
   54    53 S   OZ   _O35    54     1.50114   106.20324   -23.30561
   55    53 S   CT   _C11    55     1.82107    97.58010  -134.19171
   56    55 S   HC   _H13    56     1.09588   108.64292    54.74774
   57    55 S   HC   _H14    57     1.09425   108.93995   -62.39578
   58    55 S   CA   _C8_    58     1.49670   110.79420   174.87249
   59    58 S   CA   _C9_    59     1.40237   124.21658   101.17985
   60    59 S   CA   _C5_    60     1.40171   120.17520   178.23110
   61    59 S   OS   _O34    72     1.37220   118.77343     2.19178
   62    60 S   CA   _C6_    61     1.39357   118.66737     2.77664
   63    62 S   HA   _H7_    62     1.08460   122.48188   179.40686
   64    60 S   OS   _O33    67     1.36966   116.38675  -176.50139
   65    61 S   CT   _C10    73     1.42880   110.88202  -103.53751
   66    65 S   HC   _H10    74     1.09411   107.72128   168.02362
   67    65 S   HC   _H11    75     1.09560   111.75593    49.58771
   68    65 S   HC   _H12    76     1.09433   111.10884   -73.95960
   69    62 S   CA   _C7_    63     1.38815   119.22908    -0.91771
   70    69 S   HA   _H8_    64     1.08234   123.44426   179.75611
   71    64 S   CT   _C4_    68     1.42267   117.30743  -179.77794
   72    71 S   HC   _H4_    69     1.09427   107.74255   179.67016
   73    71 S   HC   _H5_    70     1.09497   111.12430    61.92207
   74    71 S   HC   _H6_    71     1.09496   111.12090   -62.57798
   75    58 S   NAP  _N4_    65     1.34689   117.34012   -77.55416
   76    75 S   H    _H9_    66     1.02114   118.81293     0.85340
  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   5   5   4   3
   6   3   2   2   1   1   7   9   8   4   7   3   8   7   5   1
   6   3   7   3   7   4   9   4   3  10  13  12   7   7   4   5
   3   2   1   1   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    46    47    48  
   41    42    43    44    45    46    47    48    49  
   42    43    44    45    46    47    48    52  
   43    44    45    47  
   44    45    46    47    49    51    52  
   45    46    52  
   46    47    48    49    50    51    52    53  
   47    48    49    50    51    52    53  
   48    49    50    51    52  
   49  
   50    51    52    53    54    55  
   51    52    53  
   52    53    54    55    56    57    58  
   53    54    55  
   54    55    56    57    58    59    75  
   55    56    57    58  
   56    57    58    59    60    69    75    76    61  
   57    58    59    75  
   58    59    75  
   59    60    62    69    70    75    76    64    61    65  
   60    62    63    69    75    76    64    71    61    65    66    67    68  
   62    63    69    70    75    64    71    72    73    74    61    65  
   65    66    67    68    62    64    75  
   63    69    70    75    76    64    71  
   69    70    75    64  
   71    72    73    74    69  
   66    67    68  
   67    68  
   68  
    0  
   70    75    76  
   75    76  
   72    73    74  
   73    74  
   74  
    0  
   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  -0.316400   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   0.583800   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.269000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.295900   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0700   0.079000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.151400   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.369600   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.209100   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700   0.498200   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.229900   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.329000   2.5000   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.198400   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700  -0.625700   1.8000   1.6000   0.001000000  -0.511443539
   50   0.5000   0.0300   0.407200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.486300   2.5000   1.7750   0.001000000  -0.843144165
   52   3.2800   0.1700  -0.678700   1.8000   1.6000   0.001000000  -0.511443539
   53   3.5600   0.3950   0.307500   2.0080   1.7800   0.025682759  -1.666211680
   54   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   55   3.5000   0.0660   0.140000   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   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.064300   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.417200   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.132600   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.182700   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   76   0.0000   0.0000   0.368100   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   455.000  1.355
   33    35   375.000  1.089
   33    39   470.000  1.351
   39    40   450.000  1.364
   40    41   469.000  1.400
   40    47   469.000  1.400
   41    42   367.000  1.080
   41    43   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.404
   45    46   447.000  1.419
   45    52   425.000  1.391
   46    47   469.000  1.400
   46    49   428.000  1.380
   47    48   367.000  1.080
   49    50   434.000  1.010
   49    51   477.000  1.343
   51    52   488.000  1.335
   51    53   200.000  1.819
   53    54   700.000  1.530
   53    55   340.000  1.853
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.510
   58    59   469.000  1.400
   58    75   485.000  1.342
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    62   469.000  1.400
   60    64   450.000  1.364
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    70   367.000  1.080
   69    75   485.000  1.342
   75    76   475.000  1.020
   64    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   61    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    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    35.00000  109.50000
   29    33    39    85.00000  114.68000
   33    39    40    90.00000  114.16000
   35    33    34    55.00000  109.56900
   39    33    34   110.00000  110.36100
   39    33    35    60.00000  110.43500
   39    40    41    70.00000  120.00000
   39    40    47    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    43    63.00000  120.00000
   40    47    46    85.00000  120.00000
   40    47    48    35.00000  120.00000
   41    43    44    35.00000  120.00000
   41    43    45    63.00000  120.00000
   43    41    42    35.00000  120.00000
   43    45    46    85.00000  116.20000
   43    45    52    60.00000  127.02500
   45    43    44    35.00000  120.00000
   45    46    47    85.00000  122.70000
   45    46    49    70.00000  104.40000
   45    52    51    95.00000  105.97700
   46    47    48    35.00000  120.00000
   46    49    50    35.00000  123.10000
   46    49    51    90.00000  105.79800
   47    40    41    63.00000  120.00000
   49    46    47    70.00000  132.80000
   49    51    52    70.00000  120.00000
   49    51    53    70.00000  118.96000
   51    49    50    35.00000  120.00000
   51    53    54   105.00000  104.25000
   51    53    55   100.00000   94.18000
   52    45    46    80.00000  112.17400
   53    51    52    70.00000  123.12000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    75.00000  109.00000
   55    53    54    74.00000  107.00000
   55    58    59    70.00000  120.00000
   55    58    75    70.00000  116.21300
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    63.00000  120.00000
   58    59    61    70.00000  120.00000
   58    75    69    70.00000  123.81700
   58    75    76    45.00000  117.56800
   59    60    62    63.00000  120.00000
   59    60    64    70.00000  120.00000
   59    61    65    75.00000  111.00000
   60    62    63    35.00000  120.00000
   60    62    69    63.00000  120.00000
   60    64    71    75.00000  111.00000
   62    69    70    35.00000  120.00000
   62    69    75    70.00000  119.29800
   69    62    63    35.00000  120.00000
   69    75    76    45.00000  117.56800
   75    58    59    70.00000  119.29800
   75    69    70    45.00000  112.84900
   64    60    62    70.00000  120.00000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   61    59    60    70.00000  120.00000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    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   0.32350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.14700  1.0 1.0
   29    33    39    40  -1.16150 -1.0 2.0
   29    33    39    40   0.48700  1.0 3.0
   33    39    40    41   1.11600 -1.0 2.0
   33    39    40    47   1.11600 -1.0 2.0
   34    33    39    40   0.73750  1.0 1.0
   34    33    39    40  -2.02850 -1.0 2.0
   34    33    39    40   0.37850  1.0 3.0
   35    33    39    40   0.08050  1.0 3.0
   39    40    41    42   3.62500 -1.0 2.0
   39    40    41    43   3.62500 -1.0 2.0
   39    40    47    46   3.62500 -1.0 2.0
   39    40    47    48   3.62500 -1.0 2.0
   40    41    43    44   3.62500 -1.0 2.0
   40    41    43    45   3.62500 -1.0 2.0
   41    40    47    46   3.62500 -1.0 2.0
   41    40    47    48   3.62500 -1.0 2.0
   41    43   -45    46   3.50000 -1.0 2.0
   41    43    45    52   3.62500 -1.0 2.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    45    46    47   3.00000 -1.0 2.0
   43    45    46    49   3.00000 -1.0 2.0
   43    45    52    51   3.62500 -1.0 2.0
   44    43    45    46   3.50000 -1.0 2.0
   44    43    45    52   3.62500 -1.0 2.0
   45    46   -47    40   3.62500 -1.0 2.0
   45    46    47    48   3.62500 -1.0 2.0
   45    46    49    50   1.52500 -1.0 2.0
   45    46   -49    51   3.62500 -1.0 2.0
   46    45   -52    51   3.62500 -1.0 2.0
   46    49   -51    52   3.62500 -1.0 2.0
   46    49    51    53   3.62500 -1.0 2.0
   47    40    41    42   3.62500 -1.0 2.0
   47    40   -41    43   3.62500 -1.0 2.0
   47    46    49    50   1.52500 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   49    46    47    40   3.62500 -1.0 2.0
   49    46    47    48   3.62500 -1.0 2.0
   49    51   -52    45   3.62500 -1.0 2.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.00000  1.0 1.0
   50    49    51    52   2.32500 -1.0 2.0
   50    49    51    53   2.00000 -1.0 2.0
   51    53    55    56   0.00000  1.0 1.0
   51    53    55    57   0.00000  1.0 1.0
   51    53    55    58   0.00000  1.0 1.0
   52    45    46    47   3.62500 -1.0 2.0
   52    45   -46    49   3.62500 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   53    51    52    45   3.62500 -1.0 2.0
   53    55    58    59   0.04300 -1.0 2.0
   53    55    58    75   0.04300 -1.0 2.0
   54    53    55    56  -0.07200  1.0 3.0
   54    53    55    57  -0.07200  1.0 3.0
   54    53    55    58   0.00000  1.0 1.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    61   3.62500 -1.0 2.0
   55    58    75    69   3.62500 -1.0 2.0
   55    58    75    76   3.62500 -1.0 2.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    75   0.00000  1.0 1.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    75   0.00000  1.0 1.0
   58    59    60    62   3.62500 -1.0 2.0
   58    59    60    64   3.62500 -1.0 2.0
   58    59    61    65   1.63200 -1.0 2.0
   59    58    75    69   3.62500 -1.0 2.0
   59    58    75    76   3.62500 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60   -62    69   3.62500 -1.0 2.0
   59    60    64    71   1.63200 -1.0 2.0
   59    61    65    66   0.08050  1.0 3.0
   59    61    65    67   0.08050  1.0 3.0
   59    61    65    68   0.08050  1.0 3.0
   60    59    61    65   1.63200 -1.0 2.0
   60    62    69    70   3.62500 -1.0 2.0
   60    62    69    75   3.62500 -1.0 2.0
   60    64    71    72   0.08050  1.0 3.0
   60    64    71    73   0.08050  1.0 3.0
   60    64    71    74   0.08050  1.0 3.0
   62    60    64    71   1.63200 -1.0 2.0
   62    69   -75    58   3.62500 -1.0 2.0
   62    69    75    76   3.62500 -1.0 2.0
   63    62    69    70   3.62500 -1.0 2.0
   63    62    69    75   3.62500 -1.0 2.0
   70    69    75    58   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   75    58   -59    60   3.62500 -1.0 2.0
   75    58    59    61   3.62500 -1.0 2.0
   64    60    62    63   3.62500 -1.0 2.0
   64    60    62    69   3.62500 -1.0 2.0
   61    59    60    62   3.62500 -1.0 2.0
   61    59    60    64   3.62500 -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
   37    30    36    38  10.50000 -1.0 2.0
   41    47    40    39   4.00000 -1.0 2.0
   43    42    41    40   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
   46    52    45    43   4.00000 -1.0 2.0
   47    49    46    45   4.00000 -1.0 2.0
   46    48    47    40   1.10000 -1.0 2.0
   50    46    49    51   1.00000 -1.0 2.0
   52    53    51    49   4.00000 -1.0 2.0
   59    75    58    55   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   62    64    60    59   4.00000 -1.0 2.0
   69    63    62    60   1.10000 -1.0 2.0
   75    70    69    62   1.10000 -1.0 2.0
   76    58    75    69   1.00000 -1.0 2.0
END
