* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    123    183     353
    1     0 S   NP   _N1_     1    28.76802    95.69930   -22.34509
    2     1 S   H    _HN1     2     1.02943    76.07471    17.98792
    3     1 S   H    _H1_     3     1.02833    36.58995   165.66515
    4     1 S   H    _H2_     4     1.02791   100.46209   -88.45373
    5     1 S   CT   _CA1     5     1.50103   141.58141   123.52935
    6     5 S   HC   _HA1     6     1.09591   105.17035    84.78301
    7     5 S   CO3  _C1_     7     1.53666   112.20347   -35.23996
    8     7 S   O2Z  _O11     8     1.26353   115.09365   -51.29027
    9     7 S   O2Z  _O12     9     1.26222   114.86176   127.60260
   10     5 S   CT   _CB1    10     1.53046   107.38170  -157.61616
   11    10 S   HC   HB11    11     1.09840   109.07311   -52.04577
   12    10 S   HC   HB12    12     1.09807   110.63704    64.42999
   13    10 S   CT   _CG1    13     1.53030   112.67335  -173.08744
   14    13 S   HC   HG11    14     1.09588   110.65399   -68.89206
   15    13 S   HC   HG12    15     1.09675   109.79432    50.34924
   16    13 S   C    _CD1    16     1.51847   111.96064   170.58186
   17    16 S   O    _OE1    17     1.22749   123.22625     9.11456
   18    16 S   N    _N2_    18     1.38602   111.81973  -170.71581
   19    18 S   H    _HN2    19     1.01602   118.91514    -0.09691
   20    18 S   CT1  _CA2    20     1.46281   123.30569   175.17261
   21    20 S   HC   _HA2    21     1.09735   109.50286     0.30901
   22    20 S   C    _C2_    22     1.53549   108.23142  -115.03270
   23    22 S   O    _O2_    23     1.23043   122.34984  -146.72125
   24    20 S   CT   _CB2    32     1.53348   111.54449   122.64507
   25    24 S   HC   HB21    33     1.09279   109.10537    55.04070
   26    24 S   HC   HB22    34     1.09430   110.08485   173.60432
   27    22 S   N    _N3_    24     1.38346   113.59681    40.67515
   28    27 S   H    _HN3    25     1.01596   119.56673    -3.34948
   29    24 S   S    _SG2    35     1.82946   110.96463   -66.81710
   30    27 S   CT   _CA3    26     1.45285   123.22911   177.15765
   31    30 S   HC   HA31    27     1.09548   107.52369   -64.34855
   32    30 S   HC   HA32    28     1.09556   107.97098    52.09304
   33    29 S   CT   _C19    36     1.86428   101.82240   168.44302
   34    33 S   Cl   Cl1_    37     1.81329   106.19422   174.59934
   35    33 S   Cl   Cl2_    38     1.81959   107.67919    62.70198
   36    30 S   CO3  _C3_    29     1.52964   114.06379   174.08503
   37    36 S   O2Z  _O31    30     1.26379   116.05572    -0.38563
   38    36 S   O2Z  _O32    31     1.26426   114.41596   179.67314
   39    33 S   CT   _C11    39     1.57533   114.33600   -59.98226
   40    39 S   HC   _H10    40     1.10092   103.43496    71.43763
   41    39 S   CA   _C8_    41     1.53471   114.83506  -175.94372
   42    39 S   CA   _C12    56     1.53486   117.72882   -41.31037
   43    41 S   CA   _C7_    42     1.40396   119.59306   -97.12053
   44    43 S   HA   _H7_    43     1.08772   120.57184     0.11869
   45    42 S   CA   _C13    57     1.40576   118.72978   136.03219
   46    45 S   HA   _H11    58     1.08794   120.43324    -0.42011
   47    43 S   CA   _C6_    44     1.39717   120.95214  -179.92598
   48    47 S   HA   _H6_    45     1.08746   119.22408  -179.86294
   49    45 S   CA   _C14    59     1.39686   121.11265   179.66370
   50    49 S   HA   _H12    60     1.08738   119.29373   179.73166
   51    47 S   CA   _C5_    46     1.39609   120.63175     0.17246
   52    49 S   CA   _C15    61     1.39521   120.55284    -0.67377
   53    51 S   CA   _C10    47     1.39442   119.03012     0.08156
   54    53 S   HA   _H9_    48     1.08561   121.89596   179.86294
   55    51 S   OS   _O33    51     1.36900   115.02531  -179.98022
   56    52 S   CA   _C16    62     1.39393   118.99920     0.21850
   57    56 S   HA   _H13    63     1.08575   121.83927  -179.86583
   58    52 S   OS   _O34    66     1.36845   115.06852  -179.61590
   59    41 S   CA   _C9_    49     1.40265   122.52806    83.38006
   60    59 S   HA   _H8_    50     1.08654   120.91685    -0.11014
   61    55 S   CT   _C4_    52     1.42274   116.76883   179.91607
   62    61 S   HC   _H3_    53     1.09429   107.75476  -179.90109
   63    61 S   HC   _H4_    54     1.09502   111.12956    62.33785
   64    61 S   HC   _H5_    55     1.09502   111.13766   -62.13899
   65    42 S   CA   _C17    64     1.40104   123.55958   -45.30261
   66    65 S   HA   _H14    65     1.08452   121.35937     0.15577
   67    58 S   CT   _C18    67     1.42296   116.73312   177.06849
   68    67 S   HC   _H15    68     1.09420   107.80119   179.85735
   69    67 S   HC   _H16    69     1.09434   111.27207    61.89952
   70    67 S   HC   _H17    70     1.09507   110.99918   -62.34480
  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
  10   5   4   2   1   1  15   6  12  11   8   4   8   4   7   3
   7   3   9   9   5   3   5   5   3   5   1   1   3   2   1   1
   1   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    59    42    45    65  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    43    44    47    53    59    60    42    45    46    49    56    65    66  
   41    43    59    42    45    65  
   43    44    47    48    51    53    54    59    60    42    45    65  
   45    46    49    50    52    56    57    65    66    43    59  
   44    47    48    51    53    59    60    55  
   47    48    51    59  
   46    49    50    52    56    65    66    58  
   49    50    52    65  
   48    51    53    54    59    55    61  
   51    53    55  
   50    52    56    57    65    58    67  
   52    56    58  
   53    54    59    60    55    61    62    63    64  
   56    57    65    66    58    67    68    69    70  
   54    59    60    55    61  
   59    60    55  
   61    62    63    64    59  
   57    65    66    58    67  
   65    66    58  
   67    68    69    70    65  
   60  
    0  
   62    63    64  
   63    64  
   64  
    0  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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  -0.175000   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   0.150500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   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   0.298600   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   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   245.000  1.781
   33    35   245.000  1.781
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    42   317.000  1.510
   41    43   469.000  1.400
   41    59   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    55   450.000  1.364
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   55    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    45   469.000  1.400
   42    65   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    56   469.000  1.400
   52    58   450.000  1.364
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    66   367.000  1.080
   58    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    85.00000  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.17500
   33    39    42    70.00000  112.17500
   35    33    34    80.00000  110.42200
   39    33    34    69.00000  109.80000
   39    33    35    69.00000  109.80000
   39    41    43    70.00000  120.00000
   39    41    59    70.00000  120.00000
   39    42    45    70.00000  120.00000
   39    42    65    70.00000  120.00000
   41    39    40    35.00000  109.50000
   41    43    44    35.00000  120.00000
   41    43    47    63.00000  120.00000
   41    59    53    63.00000  120.00000
   41    59    60    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    53    63.00000  120.00000
   47    51    55    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    59    63.00000  120.00000
   51    55    61    75.00000  111.00000
   53    59    60    35.00000  120.00000
   59    41    43    63.00000  120.00000
   59    53    54    35.00000  120.00000
   55    51    53    70.00000  120.00000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  112.04700
   42    45    46    35.00000  120.00000
   42    45    49    63.00000  120.00000
   42    65    56    63.00000  120.00000
   42    65    66    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    56    63.00000  120.00000
   49    52    58    70.00000  120.00000
   52    49    50    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    65    63.00000  120.00000
   52    58    67    75.00000  111.00000
   56    65    66    35.00000  120.00000
   65    42    45    63.00000  120.00000
   65    56    57    35.00000  120.00000
   58    52    56    70.00000  120.00000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    43   0.04150 -1.0 2.0
   33    39    41    59   0.04150 -1.0 2.0
   33    39    42    45   0.04150 -1.0 2.0
   33    39    42    65   0.04150 -1.0 2.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    42   0.56750  1.0 1.0
   34    33    39    42  -0.07550 -1.0 2.0
   34    33    39    42   0.20000  1.0 3.0
   35    33    39    40   0.27000  1.0 3.0
   35    33    39    41   0.56750  1.0 1.0
   35    33    39    41  -0.07550 -1.0 2.0
   35    33    39    41   0.20000  1.0 3.0
   35    33    39    42   0.56750  1.0 1.0
   35    33    39    42  -0.07550 -1.0 2.0
   35    33    39    42   0.20000  1.0 3.0
   39    41    43    44   3.62500 -1.0 2.0
   39    41    43    47   3.62500 -1.0 2.0
   39    41    59    53   3.62500 -1.0 2.0
   39    41    59    60   3.62500 -1.0 2.0
   39    42    45    46   3.62500 -1.0 2.0
   39    42    45    49   3.62500 -1.0 2.0
   39    42    65    56   3.62500 -1.0 2.0
   39    42    65    66   3.62500 -1.0 2.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    59   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    39    42    65   0.00000  1.0 1.0
   41    39    42    45   0.04300 -1.0 2.0
   41    39    42    65   0.04300 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    51   3.62500 -1.0 2.0
   43    41    59    53   3.62500 -1.0 2.0
   43    41    59    60   3.62500 -1.0 2.0
   43    47   -51    53   3.62500 -1.0 2.0
   43    47    51    55   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    59   3.62500 -1.0 2.0
   47    51    55    61   1.63200 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    53   -59    41   3.62500 -1.0 2.0
   51    53    59    60   3.62500 -1.0 2.0
   51    55    61    62   0.08050  1.0 3.0
   51    55    61    63   0.08050  1.0 3.0
   51    55    61    64   0.08050  1.0 3.0
   53    51    55    61   1.63200 -1.0 2.0
   54    53    59    41   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   59    41    43    44   3.62500 -1.0 2.0
   59    41   -43    47   3.62500 -1.0 2.0
   55    51    53    54   3.62500 -1.0 2.0
   55    51    53    59   3.62500 -1.0 2.0
   42    39    41    43   0.04300 -1.0 2.0
   42    39    41    59   0.04300 -1.0 2.0
   42    45    49    50   3.62500 -1.0 2.0
   42    45    49    52   3.62500 -1.0 2.0
   45    42    65    56   3.62500 -1.0 2.0
   45    42    65    66   3.62500 -1.0 2.0
   45    49   -52    56   3.62500 -1.0 2.0
   45    49    52    58   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    56    65   3.62500 -1.0 2.0
   49    52    58    67   1.63200 -1.0 2.0
   50    49    52    56   3.62500 -1.0 2.0
   50    49    52    58   3.62500 -1.0 2.0
   52    56   -65    42   3.62500 -1.0 2.0
   52    56    65    66   3.62500 -1.0 2.0
   52    58    67    68   0.08050  1.0 3.0
   52    58    67    69   0.08050  1.0 3.0
   52    58    67    70   0.08050  1.0 3.0
   56    52    58    67   1.63200 -1.0 2.0
   57    56    65    42   3.62500 -1.0 2.0
   57    56    65    66   3.62500 -1.0 2.0
   65    42    45    46   3.62500 -1.0 2.0
   65    42   -45    49   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   58    52    56    65   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   43    59    41    39   4.00000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   53    55    51    47   4.00000 -1.0 2.0
   59    54    53    51   1.10000 -1.0 2.0
   53    60    59    41   1.10000 -1.0 2.0
   45    65    42    39   4.00000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   52    50    49    45   1.10000 -1.0 2.0
   56    58    52    49   4.00000 -1.0 2.0
   65    57    56    52   1.10000 -1.0 2.0
   56    66    65    42   1.10000 -1.0 2.0
END
