* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    129    198     384
    1     0 S   NP   _N1_     1    29.12101    92.51356   -27.34605
    2     1 S   H    _HN1     2     1.02826    23.16994  -132.82145
    3     1 S   H    _H1_     3     1.02795   128.22123  -100.67572
    4     1 S   H    _H2_     4     1.02947    88.38289    11.60417
    5     1 S   CT   _CA1     5     1.50127   106.29660   122.42439
    6     5 S   HC   _HA1     6     1.09573   105.16384    83.24092
    7     5 S   CO3  _C1_     7     1.53764   112.45710   -36.97517
    8     7 S   O2Z  _O11     8     1.26377   115.00120   -42.63277
    9     7 S   O2Z  _O12     9     1.26231   114.94130   136.37075
   10     5 S   CT   _CB1    10     1.53056   107.40714  -158.78688
   11    10 S   HC   HB11    11     1.09841   109.33032   -49.35396
   12    10 S   HC   HB12    12     1.09811   110.47550    67.23742
   13    10 S   CT   _CG1    13     1.53025   112.64501  -170.28534
   14    13 S   HC   HG11    14     1.09568   110.73993   -67.34804
   15    13 S   HC   HG12    15     1.09668   109.69588    51.90744
   16    13 S   C    _CD1    16     1.51812   111.96297   172.39615
   17    16 S   O    _OE1    17     1.22760   123.16955    12.64011
   18    16 S   N    _N2_    18     1.38647   111.86306  -167.37068
   19    18 S   H    _HN2    19     1.01586   119.00021     1.00425
   20    18 S   CT1  _CA2    20     1.46227   123.36467   176.49401
   21    20 S   HC   _HA2    21     1.09737   109.26194     8.17894
   22    20 S   C    _C2_    22     1.53696   108.91170  -107.36342
   23    22 S   O    _O2_    23     1.23088   122.21003  -149.00956
   24    20 S   CT   _CB2    32     1.53367   111.66052   130.15771
   25    24 S   HC   HB21    33     1.09510   109.79924    56.80177
   26    24 S   HC   HB22    34     1.09517   110.10000   175.84616
   27    22 S   N    _N3_    24     1.38305   113.91292    38.48590
   28    27 S   H    _HN3    25     1.01538   119.63643    -3.14467
   29    24 S   S    _SG2    35     1.82670   111.59262   -64.08880
   30    27 S   CT   _CA3    26     1.45285   123.29514   177.25206
   31    30 S   HC   HA31    27     1.09546   107.50626   -65.08932
   32    30 S   HC   HA32    28     1.09555   108.00857    51.37580
   33    29 S   CT   _C16    36     1.82599    99.89243  -169.18642
   34    33 S   HC   _H15    37     1.09634   107.49057   172.10668
   35    33 S   HC   _H16    38     1.09646   108.49261    58.78868
   36    30 S   CO3  _C3_    29     1.52980   114.02986   173.38927
   37    36 S   O2Z  _O31    30     1.26385   116.07728    -0.19180
   38    36 S   O2Z  _O32    31     1.26424   114.41904   179.86152
   39    33 S   CT   _C15    39     1.52834   114.71842   -64.59746
   40    39 S   HC   _H7_    40     1.09532   110.12276    58.91055
   41    39 S   CO3  _C17    41     1.54057   111.66841   -64.80510
   42    41 S   O2Z  _O41    42     1.26314   116.21317   -51.74606
   43    41 S   O2Z  _O40    43     1.26546   114.37762   128.13589
   44    39 S   OS   _O39    44     1.44001   106.60610   177.46356
   45    44 S   CT   _C6_    45     1.43766   114.26828  -155.73771
   46    45 S   HC   _H3_    46     1.09711   109.77890   -31.66431
   47    45 S   CM   _C5_    47     1.50099   108.66115    88.48982
   48    47 S   HC   _H9_    48     1.08635   118.03918   -43.88778
   49    47 S   CM   _C4_    49     1.33870   123.35546   135.68497
   50    49 S   HC   _H8_    50     1.08780   118.42106  -178.10793
   51    49 S   CT   _C9_    51     1.50497   123.77184     2.70848
   52    51 S   HC   _H6_    52     1.09774   107.78782  -116.73978
   53    51 S   CT   _C8_    53     1.54553   114.30272     5.64768
   54    53 S   HC   _H5_    54     1.09940   111.19302    87.00201
   55    51 S   CO4  _C10    62     1.53423   105.13135   127.83500
   56    55 S   O    _O33    63     1.23201   121.79218   -73.93962
   57    45 S   CT   _C7_    55     1.53983   106.93881  -150.64047
   58    57 S   HC   _H4_    56     1.09819   109.70514   -40.72421
   59    53 S   CO3  _C14    59     1.55021   107.26398  -158.31928
   60    59 S   O2Z  _O37    60     1.26310   116.30416   120.41897
   61    59 S   O2Z  _O36    61     1.26454   115.01549   -60.67443
   62    55 S   CT   _C11    64     1.52299   116.01368   103.33086
   63    62 S   HC   _H10    65     1.09564   108.05675    57.87056
   64    62 S   HC   _H11    66     1.09592   107.71735   -58.91924
   65    57 S   OH   _O38    57     1.43300   107.26726    75.07571
   66    65 S   HO   _H14    58     0.97434   106.57986  -173.18209
   67    62 S   CT   _C12    67     1.52268   112.76793   179.49255
   68    67 S   HC   _H12    68     1.09738   109.51641   -59.30017
   69    67 S   HC   _H13    69     1.09739   109.64726    57.68974
   70    67 S   CO3  _C13    70     1.53103   114.93300   178.99848
   71    70 S   O2Z  _O35    71     1.26524   114.09950   177.39083
   72    70 S   O2Z  _O34    72     1.26152   116.65385    -2.86539
  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   7   5   4   3
   9   5   4   2   1   1   9   5   4   2   1   9  13   7  10   4
  10   4  15   7  11   7  10   4   6   3   3   1   1   8   5   4
   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    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    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    57  
   41    42    43    44    45  
   42    43    44    45  
   43    44  
   44  
   45    46    47    48    49    53    57    58    65  
   46    47    48    49    50    51    53    54    57    58    65    66    59  
   47    48    49    53    57    58    65  
   48    49    50    51    52    53    57    58    65    55  
   49    50    51    57  
   50    51    52    53    54    57    59    55    56    62  
   51    52    53    55  
   52    53    54    57    58    65    59    60    61    55    56    62    63    64    67  
   53    54    57    59    55    56    62  
   54    57    58    65    66    59    60    61    55    56    62  
   57    58    65    59    60    61    55  
   56    62    63    64    67    68    69    70    57    59  
   62    63    64    67  
   58    65    66    59    60    61  
   65    66    59  
   60    61    65  
   61  
    0  
   63    64    67    68    69    70    71    72  
   64    67    68    69    70  
   67    68    69    70  
   66  
    0  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    44   320.000  1.410
   41    42   656.000  1.250
   41    43   656.000  1.250
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    57   268.000  1.529
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   317.000  1.522
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    59   317.000  1.522
   57    58   340.000  1.090
   57    65   320.000  1.410
   65    66   553.000  0.945
   59    60   656.000  1.250
   59    61   656.000  1.250
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.522
   70    71   656.000  1.250
   70    72   656.000  1.250
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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  109.69300
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    70.00000  117.00000
   39    41    43    70.00000  117.00000
   39    44    45    60.00000  109.50000
   41    39    40    35.00000  109.50000
   43    41    42    80.00000  126.00000
   44    39    40    35.00000  109.50000
   44    39    41    85.00000  109.63000
   44    45    46    35.00000  109.50000
   44    45    47    85.00000  110.90400
   44    45    57    50.00000  109.50000
   45    47    48    35.00000  117.00000
   45    47    49    70.00000  124.00000
   45    57    53    58.35000  112.70000
   45    57    58    37.50000  110.70000
   45    57    65    50.00000  109.50000
   47    45    46    35.00000  109.50000
   47    49    50    35.00000  120.00000
   47    49    51    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    51    52    35.00000  109.50000
   49    51    53    70.00000  112.02700
   49    51    55    70.00000  109.06800
   51    49    50    35.00000  117.00000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    59    70.00000  109.69300
   51    55    56    80.00000  120.40000
   51    55    62    70.00000  116.00000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    65    50.00000  109.50000
   53    59    60    70.00000  117.00000
   53    59    61    70.00000  117.00000
   57    45    46    37.50000  110.70000
   57    45    47    70.00000  112.02700
   57    53    54    37.50000  110.70000
   57    65    66    55.00000  108.50000
   65    57    58    35.00000  109.50000
   59    53    54    35.00000  109.50000
   59    53    57    70.00000  109.69300
   61    59    60    80.00000  126.00000
   55    51    52    35.00000  109.50000
   55    51    53    63.00000  111.10000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    67    63.00000  111.10000
   62    55    56    80.00000  120.40000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    70.00000  109.69300
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    70.00000  117.00000
   67    70    72    70.00000  117.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   72    70    71    80.00000  126.00000
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    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.41150 -1.0 2.0
   33    39    41    43   0.41150 -1.0 2.0
   33    39    44    45   0.06250  1.0 1.0
   33    39    44    45  -0.01100 -1.0 2.0
   33    39    44    45   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    44    45    46   0.37050  1.0 3.0
   39    44    45    47  -0.77900  1.0 1.0
   39    44    45    47  -0.36900 -1.0 2.0
   39    44    45    47   0.40400  1.0 3.0
   39    44    45    57   0.06250  1.0 1.0
   39    44    45    57  -0.01100 -1.0 2.0
   39    44    45    57   0.28050  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    44    45   0.37050  1.0 3.0
   41    39    44    45  -1.11000  1.0 1.0
   41    39    44    45   0.50250 -1.0 2.0
   41    39    44    45   0.47450  1.0 3.0
   44    39    41    42   0.30150 -1.0 2.0
   44    39    41    43   0.30150 -1.0 2.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    49   0.39000  1.0 1.0
   44    45    47    49  -0.05800 -1.0 2.0
   44    45    47    49  -0.55150  1.0 3.0
   44    45    57    53   0.62750  1.0 1.0
   44    45    57    53  -0.30950 -1.0 2.0
   44    45    57    53   0.27300  1.0 3.0
   44    45    57    58   0.23400  1.0 3.0
   44    45    57    65   3.69350  1.0 1.0
   44    45    57    65  -1.82950 -1.0 2.0
   45    47    49    50   7.00000 -1.0 2.0
   45    47    49    51   7.00000 -1.0 2.0
   45    57    65    66  -0.11600  1.0 1.0
   45    57    65    66  -0.09450 -1.0 2.0
   45    57    65    66   0.21250  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    57    53   0.15000  1.0 3.0
   46    45    57    58   0.15000  1.0 3.0
   46    45    57    65   0.23400  1.0 3.0
   47    45    57    53   0.34400  1.0 1.0
   47    45    57    53   0.09450 -1.0 2.0
   47    45    57    53   0.11100  1.0 3.0
   47    45    57    58   0.15000  1.0 3.0
   47    45    57    65   1.05650  1.0 1.0
   47    45    57    65   0.15600 -1.0 2.0
   47    45    57    65   0.53150  1.0 3.0
   47    49    51    52   0.00000  1.0 1.0
   47    49   -51    53   0.09850  1.0 1.0
   47    49   -51    53   0.15250 -1.0 2.0
   47    49   -51    53  -0.50650  1.0 3.0
   47    49    51    55  -0.51250  1.0 1.0
   47    49    51    55  -0.88800 -1.0 2.0
   47    49    51    55   0.08850  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    51   7.00000 -1.0 2.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    57   0.34400  1.0 1.0
   49    51    53    57   0.09450 -1.0 2.0
   49    51    53    57   0.11100  1.0 3.0
   49    51    53    59  -0.98800  1.0 1.0
   49    51    53    59   0.48800 -1.0 2.0
   49    51    53    59   0.76800  1.0 3.0
   49    51    55    56   0.30150 -1.0 2.0
   49    51    55    62   0.65300  1.0 1.0
   49    51    55    62  -0.03850 -1.0 2.0
   49    51    55    62   0.33900  1.0 3.0
   50    49    51    52   0.33100  1.0 3.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    55   0.00000  1.0 1.0
   51    53   -57    45   0.56750  1.0 1.0
   51    53   -57    45  -0.07550 -1.0 2.0
   51    53   -57    45   0.20000  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    65   0.86500  1.0 1.0
   51    53    57    65  -0.17500 -1.0 2.0
   51    53    57    65   0.20800  1.0 3.0
   51    53    59    60   0.41150 -1.0 2.0
   51    53    59    61   0.41150 -1.0 2.0
   51    55    62    63   0.00000  1.0 1.0
   51    55    62    64   0.00000  1.0 1.0
   51    55    62    67   0.60050  1.0 1.0
   51    55    62    67   0.05600 -1.0 2.0
   51    55    62    67   0.26150  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    59  -0.11250  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    62   0.00000  1.0 1.0
   53    51    55    56   0.30150 -1.0 2.0
   53    51    55    62   0.60050  1.0 1.0
   53    51    55    62   0.05600 -1.0 2.0
   53    51    55    62   0.26150  1.0 3.0
   53    57    65    66  -0.11600  1.0 1.0
   53    57    65    66  -0.09450 -1.0 2.0
   53    57    65    66   0.21250  1.0 3.0
   54    53    57    45   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    65   0.23400  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   57    45    47    48   0.00000  1.0 1.0
   57    45   -47    49   0.09850  1.0 1.0
   57    45   -47    49   0.15250 -1.0 2.0
   57    45   -47    49  -0.50650  1.0 3.0
   57    53    59    60   0.41150 -1.0 2.0
   57    53    59    61   0.41150 -1.0 2.0
   58    57    65    66   0.19450  1.0 3.0
   59    53    57    45  -1.63150  1.0 1.0
   59    53    57    45  -0.43550 -1.0 2.0
   59    53    57    45   0.24500  1.0 3.0
   59    53    57    58  -0.11250  1.0 3.0
   59    53    57    65  -5.33000  1.0 1.0
   59    53    57    65  -0.54250 -1.0 2.0
   59    53    57    65  -0.07300  1.0 3.0
   55    51    53    54  -0.11250  1.0 3.0
   55    51    53    57  -0.95700  1.0 1.0
   55    51    53    57  -0.18200 -1.0 2.0
   55    51    53    57   0.29450  1.0 3.0
   55    51    53    59  -0.30950  1.0 1.0
   55    51    53    59   1.11150 -1.0 2.0
   55    51    53    59   0.40350  1.0 3.0
   55    62    67    68  -0.11250  1.0 3.0
   55    62    67    69  -0.11250  1.0 3.0
   55    62    67    70  -0.30950  1.0 1.0
   55    62    67    70   1.11150 -1.0 2.0
   55    62    67    70   0.40350  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    64   0.00000  1.0 1.0
   56    55    62    67   0.30150 -1.0 2.0
   62    67    70    71   0.41150 -1.0 2.0
   62    67    70    72   0.41150 -1.0 2.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70  -0.11250  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70  -0.11250  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    72   0.00000  1.0 1.0
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
   42    39    41    43  10.50000 -1.0 2.0
   45    48    47    49   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   60    53    59    61  10.50000 -1.0 2.0
   51    62    55    56  10.50000 -1.0 2.0
   71    67    70    72  10.50000 -1.0 2.0
END
