* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    132    198     385
    1     0 S   NP   _N1_     1    28.70988    93.15723   -23.81632
    2     1 S   H    _HN1     2     1.02778   108.17751   -80.37557
    3     1 S   H    _H1_     3     1.02963    90.82395    29.24095
    4     1 S   H    _H2_     4     1.02835    17.48345  -172.37025
    5     1 S   CT   _CA1     5     1.50122   124.22057   144.77067
    6     5 S   HC   _HA1     6     1.09577   105.23246    71.71815
    7     5 S   CO3  _C1_     7     1.53782   112.40112   -48.47027
    8     7 S   O2Z  _O11     8     1.26356   115.00182   -43.70778
    9     7 S   O2Z  _O12     9     1.26243   114.91743   135.48761
   10     5 S   CT   _CB1    10     1.53100   107.42341  -170.40183
   11    10 S   HC   HB11    11     1.09825   109.28939   -51.16830
   12    10 S   HC   HB12    12     1.09820   110.42316    65.36186
   13    10 S   CT   _CG1    13     1.53011   112.69847  -172.30318
   14    13 S   HC   HG11    14     1.09599   110.41295   -64.16206
   15    13 S   HC   HG12    15     1.09653   110.00176    55.05333
   16    13 S   C    _CD1    16     1.51823   112.34182   175.36599
   17    16 S   O    _OE1    17     1.22721   123.27046    -2.96267
   18    16 S   N    _N2_    18     1.38637   111.63044   177.34377
   19    18 S   H    _HN2    19     1.01585   119.00831     1.12257
   20    18 S   CT1  _CA2    20     1.46161   123.37782   179.85873
   21    20 S   HC   _HA2    21     1.09742   109.41066    -7.89163
   22    20 S   C    _C2_    22     1.53448   108.38342  -123.46981
   23    22 S   O    _O2_    23     1.23022   122.23018  -145.14442
   24    20 S   CT   _CB2    32     1.53347   111.59291   114.13554
   25    24 S   HC   HB21    33     1.09600   110.13025    55.22992
   26    24 S   HC   HB22    34     1.09386   109.97529   174.19397
   27    22 S   N    _N3_    24     1.38501   113.40737    42.20094
   28    27 S   H    _HN3    25     1.01513   118.94538    -0.55567
   29    24 S   S    _SG2    35     1.82728   111.80775   -65.57767
   30    27 S   CT   _CA3    26     1.45456   123.45118   174.99661
   31    30 S   HC   HA31    27     1.09522   109.23498    24.36656
   32    30 S   HC   HA32    28     1.09494   107.11710   141.38796
   33    29 S   CT   _C10    36     1.85898    99.56462  -179.74744
   34    33 S   HC   _H3_    37     1.09001   106.39511   -17.04589
   35    30 S   CO3  _C3_    29     1.52937   113.14226   -99.09932
   36    35 S   O2Z  _O31    30     1.26400   115.43027   -43.37599
   37    35 S   O2Z  _O32    31     1.26359   114.96469   137.55681
   38    33 S   CO4  _C9_    38     1.53746   105.21480    99.08025
   39    38 S   O    _O34    39     1.23120   120.91355    89.12503
   40    33 S   CT   _C11    58     1.57055   111.75961  -136.29052
   41    38 S   C5BC _C8_    40     1.46447   119.14564   -85.59364
   42    40 S   CT   _C18    59     1.53931   111.05052    62.62434
   43    42 S   HC   _H18    60     1.09513   111.91520   -66.76690
   44    42 S   HC   _H19    61     1.09658   110.67776   175.99063
   45    42 S   HC   _H20    62     1.09437   111.84212    55.13447
   46    40 S   OH   _O35    63     1.44112   109.09106   -53.57084
   47    46 S   HO   _H21    64     0.97386   107.71847   -56.92644
   48    41 S   C5BC _C5_    41     1.43529   125.80934   119.91108
   49    48 S   C5A  _C6_    42     1.37709   105.79765   179.66370
   50    49 S   HA   _H7_    43     1.08064   133.50477   179.19716
   51    48 S   CT   _C4_    69     1.48318   127.49619    -1.20756
   52    51 S   HC   _H4_    70     1.09438   110.57854   -58.69325
   53    51 S   HC   _H5_    71     1.09452   110.52449    61.51152
   54    51 S   HC   _H6_    72     1.09491   111.28447  -178.59041
   55    49 S   OA   _O33    44     1.35224   110.98957    -1.24380
   56    41 S   C5A  _C7_    45     1.39047   128.31494   -62.99130
   57    56 S   CT   _C16    46     1.49712   135.92315    -1.71235
   58    57 S   HC   _H13    47     1.09796   107.56657    99.95773
   59    57 S   HC   _H14    48     1.09775   109.59872  -145.78015
   60    57 S   CM   _C15    49     1.51010   114.44506   -23.58889
   61    60 S   CM   _C14    50     1.34584   118.91598   102.61092
   62    61 S   HC   _H12    51     1.08911   118.85271     7.60367
   63    60 S   CT   _C17    65     1.50468   115.90556   -72.00112
   64    63 S   HC   _H15    66     1.09527   109.82735   -57.60388
   65    63 S   HC   _H16    67     1.09311   112.92284  -176.78174
   66    63 S   HC   _H17    68     1.09402   111.05334    62.11131
   67    61 S   CT   _C13    52     1.49318   125.60204  -160.07791
   68    67 S   HC   _H10    53     1.09615   108.94605  -169.70486
   69    67 S   HC   _H11    54     1.09597   110.50382   -54.32910
   70    67 S   CT   _C12    55     1.53914   112.00590    68.49106
   71    70 S   HC   _H8_    56     1.10009   106.95150  -179.28454
   72    70 S   HC   _H9_    57     1.09705   109.59718   -67.72626
  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   9   5   4   3
  17   7   2   1   1  12   4  14  13   9   4   3   2   5   1   9
   8   3   5   2   1   1   5   6  10   4   3  10  11   5   4   2
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    70    40    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    48    56    67    70    71    72    40    42    43    44    45    46    47  
   38    39    41    70    40    42    46  
   36    37  
   37  
    0  
   39    41    48    49    55    56    57    70    40    42    46    51  
   41    48    56    40  
   42    43    44    45    46    47    41    61    67    68    69    70    71    72  
   48    49    50    55    56    57    58    59    60    51    52    53    54  
   43    44    45    46    47    67    70    71    72  
   44    45    46    70  
   45    46    70  
   46    70  
   47    67    70    71    72  
   70  
   49    50    55    56    57    51    52    53    54  
   50    55    56    57    51    52    53    54  
   55    56    51  
   52    53    54    55    56  
   53    54  
   54  
    0  
   56    57    58    59    60  
   57    58    59    60    61    63  
   58    59    60    61    62    67    63    64    65    66  
   59    60    61    63  
   60    61    63  
   61    62    67    68    69    70    63    64    65    66  
   62    67    68    69    70    71    72    63    64    65    66  
   67    68    69    70    63  
   64    65    66    67  
   65    66  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   56   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    41   320.000  1.468
   41    48   469.000  1.424
   41    56   546.000  1.367
   48    49   546.000  1.367
   48    51   285.000  1.502
   49    50   367.000  1.080
   49    55   340.000  1.360
   55    56   340.000  1.360
   56    57   295.000  1.489
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.510
   60    61   549.000  1.340
   60    63   317.000  1.510
   61    62   340.000  1.080
   61    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    40   268.000  1.529
   40    42   268.000  1.529
   40    46   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    70    58.35000  112.70000
   33    40    42    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    48    50.00000  131.05000
   38    41    56    60.00000  121.69000
   41    38    39    80.00000  122.10000
   41    48    49    70.00000  107.30000
   41    48    51    60.00000  130.00000
   41    56    55    70.00000  110.60000
   41    56    57    50.00000  133.50000
   48    49    50    35.00000  132.10000
   48    49    55    70.00000  110.60000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   49    55    56    70.00000  106.50000
   55    49    50    35.00000  113.40000
   55    56    57    80.00000  116.10000
   56    41    48    70.00000  107.30000
   56    57    58    45.00000  110.47400
   56    57    59    45.00000  110.47400
   56    57    60    70.00000  112.40000
   57    60    61    70.00000  124.00000
   57    60    63    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    61    62    35.00000  120.00000
   60    61    67    70.00000  124.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    70.00000  112.02700
   67    61    62    35.00000  117.00000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    40    42    58.35000  112.70000
   70    40    46    50.00000  109.50000
   72    70    71    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    70    71    37.50000  110.70000
   40    70    72    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    45    37.50000  110.70000
   40    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    40    42    50.00000  109.50000
   63    60    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   51    48    49    60.00000  130.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    48   2.26350  1.0 1.0
   33    38    41    48   0.76750 -1.0 2.0
   33    38    41    48   0.22500  1.0 3.0
   33    38    41    56   2.26350  1.0 1.0
   33    38    41    56   0.76750 -1.0 2.0
   33    38    41    56   0.22500  1.0 3.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    44   0.15000  1.0 3.0
   33    40    42    45   0.15000  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    70   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33    40    70  -0.95700  1.0 1.0
   38    33    40    70  -0.18200 -1.0 2.0
   38    33    40    70   0.29450  1.0 3.0
   38    33    40    42  -0.95700  1.0 1.0
   38    33    40    42  -0.18200 -1.0 2.0
   38    33    40    42   0.29450  1.0 3.0
   38    33    40    46  -0.09450  1.0 1.0
   38    33    40    46  -1.12950 -1.0 2.0
   38    33    40    46   0.54000  1.0 3.0
   38    41    48    49   3.62500 -1.0 2.0
   38    41    48    51   3.62500 -1.0 2.0
   38    41    56    55   3.62500 -1.0 2.0
   38    41    56    57   3.62500 -1.0 2.0
   39    38    41    48   1.05000 -1.0 2.0
   39    38    41    56   1.05000 -1.0 2.0
   41    48    49    50   3.62500 -1.0 2.0
   41    48   -49    55   3.62500 -1.0 2.0
   41    48    51    52   0.00000  1.0 1.0
   41    48    51    53   0.00000  1.0 1.0
   41    48    51    54   0.00000  1.0 1.0
   41    56    57    58   0.00000  1.0 1.0
   41    56    57    59   0.00000  1.0 1.0
   41    56    57    60   0.18050 -1.0 2.0
   48    41   -56    55   3.62500 -1.0 2.0
   48    41    56    57   3.62500 -1.0 2.0
   48    49   -55    56   3.62500 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   49    48    51    54   0.00000  1.0 1.0
   49    55   -56    41   3.62500 -1.0 2.0
   49    55    56    57   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   55    56    57    58   0.00000  1.0 1.0
   55    56    57    59   0.00000  1.0 1.0
   55    56    57    60   0.04300 -1.0 2.0
   56    41   -48    49   3.62500 -1.0 2.0
   56    41    48    51   3.62500 -1.0 2.0
   56    57    60    61   1.44450  1.0 1.0
   56    57    60    61   0.06600 -1.0 2.0
   56    57    60    61   0.29250  1.0 3.0
   56    57    60    63   0.09700  1.0 1.0
   56    57    60    63   0.15600 -1.0 2.0
   56    57    60    63  -0.50800  1.0 3.0
   57    60    61    62   7.00000 -1.0 2.0
   57    60    61    67   7.00000 -1.0 2.0
   57    60    63    64   0.34800  1.0 3.0
   57    60    63    65   0.34800  1.0 3.0
   57    60    63    66   0.34800  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    63   0.34800  1.0 3.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    63   0.34800  1.0 3.0
   60    61    67    68   0.00000  1.0 1.0
   60    61    67    69   0.00000  1.0 1.0
   60    61    67    70   0.09850  1.0 1.0
   60    61    67    70   0.15250 -1.0 2.0
   60    61    67    70  -0.50650  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    65   0.00000  1.0 1.0
   61    60    63    66   0.00000  1.0 1.0
   61    67    70    71   0.15000  1.0 3.0
   61    67    70    72   0.15000  1.0 3.0
   61    67    70    40   0.34400  1.0 1.0
   61    67    70    40   0.09450 -1.0 2.0
   61    67    70    40   0.11100  1.0 3.0
   62    61    67    68   0.33100  1.0 3.0
   62    61    67    69   0.33100  1.0 3.0
   62    61    67    70   0.00000  1.0 1.0
   67    70    40    33   0.56750  1.0 1.0
   67    70    40    33  -0.07550 -1.0 2.0
   67    70    40    33   0.20000  1.0 3.0
   67    70    40    42   0.56750  1.0 1.0
   67    70    40    42  -0.07550 -1.0 2.0
   67    70    40    42   0.20000  1.0 3.0
   67    70    40    46   0.86500  1.0 1.0
   67    70    40    46  -0.17500 -1.0 2.0
   67    70    40    46   0.20800  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    40   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    40   0.15000  1.0 3.0
   70    40    42    43   0.15000  1.0 3.0
   70    40    42    44   0.15000  1.0 3.0
   70    40    42    45   0.15000  1.0 3.0
   70    40    46    47  -0.11600  1.0 1.0
   70    40    46    47  -0.09450 -1.0 2.0
   70    40    46    47   0.21250  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    42   0.15000  1.0 3.0
   71    70    40    46   0.23400  1.0 3.0
   72    70    40    33   0.15000  1.0 3.0
   72    70    40    42   0.15000  1.0 3.0
   72    70    40    46   0.23400  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    41   0.05850 -1.0 2.0
   40    33    38    41   0.17250  1.0 3.0
   42    40    46    47  -0.11600  1.0 1.0
   42    40    46    47  -0.09450 -1.0 2.0
   42    40    46    47   0.21250  1.0 3.0
   46    40    42    43   0.23400  1.0 3.0
   46    40    42    44   0.23400  1.0 3.0
   46    40    42    45   0.23400  1.0 3.0
   63    60    61    62   7.00000 -1.0 2.0
   63    60    61    67   7.00000 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    55   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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   48    56    41    38   4.00000 -1.0 2.0
   49    51    48    41   4.00000 -1.0 2.0
   55    50    49    48   1.10000 -1.0 2.0
   55    57    56    41   4.00000 -1.0 2.0
   57    63    60    61   1.10000 -1.0 2.0
   67    62    61    60   1.10000 -1.0 2.0
END
