* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    128    180     363
    1     0 S   NP   _N1_     1    29.08793    93.43772   -21.92518
    2     1 S   H    _HN1     2     1.02963    94.21025    21.78940
    3     1 S   H    _H1_     3     1.02833    23.72039   146.03885
    4     1 S   H    _H2_     4     1.02777    94.13403   -86.95960
    5     1 S   CT   _CA1     5     1.50148   134.46625   145.94882
    6     5 S   HC   _HA1     6     1.09571   105.24982    59.21307
    7     5 S   CO3  _C1_     7     1.53766   112.38736   -61.02921
    8     7 S   O2Z  _O11     8     1.26358   114.99539   -43.27512
    9     7 S   O2Z  _O12     9     1.26239   114.92024   135.86421
   10     5 S   CT   _CB1    10     1.53037   107.36014   177.12070
   11    10 S   HC   HB11    11     1.09825   109.25256   -50.74153
   12    10 S   HC   HB12    12     1.09819   110.36846    65.73154
   13    10 S   CT   _CG1    13     1.53049   112.85627  -171.99909
   14    13 S   HC   HG11    14     1.09587   110.36457   -63.72740
   15    13 S   HC   HG12    15     1.09629   110.16913    55.62572
   16    13 S   C    _CD1    16     1.51763   111.99646   175.74347
   17    16 S   O    _OE1    17     1.22740   123.07282    -7.93232
   18    16 S   N    _N2_    18     1.38662   111.93534   172.53718
   19    18 S   H    _HN2    19     1.01587   119.19348     0.97679
   20    18 S   CT1  _CA2    20     1.46098   123.02783  -178.60156
   21    20 S   HC   _HA2    21     1.09571   109.07226   -12.40664
   22    20 S   C    _C2_    22     1.53367   108.79902  -127.32891
   23    22 S   O    _O2_    23     1.23019   122.17855  -146.89909
   24    20 S   CT   _CB2    32     1.53555   111.99335   109.89211
   25    24 S   HC   HB21    33     1.09657   109.48076    64.46844
   26    24 S   HC   HB22    34     1.09577   110.81898  -178.29624
   27    22 S   N    _N3_    24     1.38499   113.36128    40.83573
   28    27 S   H    _HN3    25     1.01516   118.92346    -0.93146
   29    24 S   S    _SG2    35     1.82867   114.87083   -55.13892
   30    27 S   CT   _CA3    26     1.45426   123.30258   174.04919
   31    30 S   HC   HA31    27     1.09534   109.01020    28.44854
   32    30 S   HC   HA32    28     1.09484   107.17253   145.50809
   33    29 S   CT   _C15    36     1.81916   100.06524   -69.10846
   34    33 S   HC   _H16    37     1.08821   108.19295    48.94962
   35    33 S   HC   _H17    38     1.09371   109.55209   -70.69566
   36    30 S   CO3  _C3_    29     1.52989   113.33891   -94.78131
   37    36 S   O2Z  _O31    30     1.26390   115.58682   -38.76294
   38    36 S   O2Z  _O32    31     1.26379   114.85021   142.14367
   39    33 S   C    _C14    39     1.52325   110.86379   169.37244
   40    39 S   O    _O34    40     1.23435   121.68988    22.87095
   41    39 S   N    _N4_    41     1.40272   115.52079  -158.18572
   42    41 S   CA   _C11    42     1.42668   118.57611   174.01044
   43    41 S   CO   _C12    65     1.46805   125.14413    -3.89893
   44    43 S   HC   _H11    66     1.09533   109.01443   -38.82886
   45    43 S   HC   _H12    67     1.09606   110.45280  -158.52312
   46    42 S   CA   _C6_    43     1.41583   119.91358   -76.24594
   47    43 S   OS   _O33    68     1.42403   108.79585    81.34200
   48    46 S   CA   _C7_    44     1.40534   118.72640   179.12598
   49    48 S   HA   _H8_    45     1.08788   120.15767   179.98022
   50    46 S   CT   _C5_    58     1.51440   123.55568    -2.40721
   51    50 S   HC   _H6_    59     1.09314   111.87654    16.88879
   52    50 S   HC   _H7_    60     1.09745   108.76945   132.87236
   53    47 S   CT   _C13    69     1.42000   111.82259  -175.95988
   54    53 S   HC   _H13    70     1.09324   108.33967  -179.40917
   55    53 S   HC   _H14    71     1.09423   110.44814    61.75909
   56    53 S   HC   _H15    72     1.09417   110.50819   -60.44227
   57    48 S   CA   _C8_    46     1.39161   121.05687     0.16432
   58    57 S   HA   _H9_    47     1.08617   120.01365  -179.91844
   59    50 S   CT   _C4_    61     1.52335   112.25938  -105.77382
   60    59 S   HC   _H3_    62     1.09503   111.49185   -62.50998
   61    59 S   HC   _H4_    63     1.09454   110.18387   177.89569
   62    59 S   HC   _H5_    64     1.09447   111.40229    57.87206
   63    57 S   CA   _C9_    48     1.39132   119.95249    -0.30261
   64    63 S   HA   _H10    49     1.08784   118.82638  -178.97493
   65    42 S   CA   _C10    50     1.41567   119.63729   102.76372
   66    65 S   CT   _C16    51     1.51338   123.33243    -2.74410
   67    66 S   HC   _H18    52     1.09360   111.43900    31.56415
   68    66 S   HC   _H19    53     1.09752   109.19519   147.31170
   69    66 S   CT   _C17    54     1.52206   111.97033   -91.44921
   70    69 S   HC   _H20    55     1.09521   111.36127   -59.41953
   71    69 S   HC   _H21    56     1.09465   110.14663  -179.16327
   72    69 S   HC   _H22    57     1.09442   111.43313    61.04003
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   7   4   3   2   1   1   9   3  12  19   9   3   2  14   4  10
   4   8   5   4   3   2   1   1   5   3   3   2   1   1   6   2
   7   6   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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    46    65    43    44    45    47  
   41    42    43  
   42    46    48    63    65    66    50    43    44    45    47    53  
   46    48    49    57    63    64    65    66    67    68    69    50    51    52    59    43    44    45    47  
   44    45    47    53    54    55    56    46    65  
   45    47    53  
   47    53  
   48    49    57    58    63    65    66    50    51    52    59    60    61    62  
   53    54    55    56  
   49    57    58    63    64    65    50    51    52    59  
   57    58    63    50  
   51    52    59    60    61    62    57    65  
   52    59    60    61    62  
   59    60    61    62  
   54    55    56  
   55    56  
   56  
    0  
   58    63    64    65    66  
   63    64    65  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69  
   65    66  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.084200   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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    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   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   360.000  1.404
   41    43   330.000  1.432
   42    46   469.000  1.400
   42    65   469.000  1.400
   46    48   469.000  1.400
   46    50   317.000  1.510
   48    49   367.000  1.080
   48    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   320.000  1.380
   47    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  121.96500
   39    41    43    70.00000  119.07700
   41    39    40    80.00000  122.90000
   41    42    46    70.00000  119.01900
   41    42    65    70.00000  119.01900
   41    43    44    50.00000  107.83200
   41    43    45    50.00000  107.83200
   41    43    47   100.00000  108.51700
   42    46    48    63.00000  120.00000
   42    46    50    70.00000  120.00000
   42    65    63    63.00000  120.00000
   42    65    66    70.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    57    63.00000  120.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    59    70.00000  112.17500
   48    57    58    35.00000  120.00000
   48    57    63    63.00000  120.00000
   57    48    49    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    65    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    70.00000  120.00000
   65    42    46    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    70.00000  112.17500
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   50    46    48    70.00000  120.00000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    37.50000  110.70000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   43    41    42    70.00000  121.06000
   43    47    53    60.00000  109.50000
   45    43    44    33.00000  109.50000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.32350  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   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   0.76000  1.0 1.0
   33    39    41    42   4.11600 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    46   1.00100  1.0 1.0
   39    41    42    46   0.85050 -1.0 2.0
   39    41    42    65   1.00100  1.0 1.0
   39    41    42    65   0.85050 -1.0 2.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.00000  1.0 1.0
   39    41    43    47  -2.75650  1.0 1.0
   39    41    43    47  -1.18150 -1.0 2.0
   39    41    43    47   0.81900  1.0 3.0
   40    39    41    42   0.04000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    42    46    48   3.62500 -1.0 2.0
   41    42    46    50   3.62500 -1.0 2.0
   41    42    65    63   3.62500 -1.0 2.0
   41    42    65    66   3.62500 -1.0 2.0
   41    43    47    53  -2.37750  1.0 1.0
   41    43    47    53  -0.08150 -1.0 2.0
   41    43    47    53   0.59000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    47   0.17850 -1.0 2.0
   42    46    48    49   3.62500 -1.0 2.0
   42    46    48    57   3.62500 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    52   0.00000  1.0 1.0
   42    46    50    59   0.04150 -1.0 2.0
   42    65    66    67   0.00000  1.0 1.0
   42    65    66    68   0.00000  1.0 1.0
   42    65    66    69   0.04150 -1.0 2.0
   46    42    65    63   3.62500 -1.0 2.0
   46    42    65    66   3.62500 -1.0 2.0
   46    48    57    58   3.62500 -1.0 2.0
   46    48   -57    63   3.62500 -1.0 2.0
   46    50    59    60   0.43200  1.0 3.0
   46    50    59    61   0.43200  1.0 3.0
   46    50    59    62   0.43200  1.0 3.0
   48    46    50    51   0.00000  1.0 1.0
   48    46    50    52   0.00000  1.0 1.0
   48    46    50    59   0.04150 -1.0 2.0
   48    57    63    64   3.62500 -1.0 2.0
   48    57    63    65   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    48    57    63   3.62500 -1.0 2.0
   57    63   -65    42   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    69   0.04150 -1.0 2.0
   64    63    65    42   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    42   -46    48   3.62500 -1.0 2.0
   65    42    46    50   3.62500 -1.0 2.0
   65    66    69    70   0.43200  1.0 3.0
   65    66    69    71   0.43200  1.0 3.0
   65    66    69    72   0.43200  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   50    46    48    49   3.62500 -1.0 2.0
   50    46    48    57   3.62500 -1.0 2.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    62   0.15000  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    61   0.15000  1.0 3.0
   52    50    59    62   0.15000  1.0 3.0
   43    41    42    46   0.81400  1.0 1.0
   43    41    42    46   1.55550 -1.0 2.0
   43    41    42    65   0.81400  1.0 1.0
   43    41    42    65   1.55550 -1.0 2.0
   43    47    53    54   0.37050  1.0 3.0
   43    47    53    55   0.37050  1.0 3.0
   43    47    53    56   0.37050  1.0 3.0
   44    43    47    53   0.37050  1.0 3.0
   45    43    47    53   0.37050  1.0 3.0
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
   33    41    39    40  10.50000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
   46    65    42    41   4.00000 -1.0 2.0
   48    50    46    42   4.00000 -1.0 2.0
   57    49    48    46   1.10000 -1.0 2.0
   63    58    57    48   1.10000 -1.0 2.0
   65    64    63    57   1.10000 -1.0 2.0
   63    66    65    42   4.00000 -1.0 2.0
END
