* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    110    175     324
    1     0 S   NP   _N1_     1    28.79080    95.93790   -25.04945
    2     1 S   H    _HN1     2     1.02947    72.99731     7.19285
    3     1 S   H    _H1_     3     1.02827    34.17505  -176.89941
    4     1 S   H    _H2_     4     1.02793   117.22977   -95.12389
    5     1 S   CT   _CA1     5     1.50123   126.21784   110.38760
    6     5 S   HC   _HA1     6     1.09573   105.16786    94.26816
    7     5 S   CO3  _C1_     7     1.53770   112.46005   -25.95415
    8     7 S   O2Z  _O11     8     1.26376   115.00708   -42.65526
    9     7 S   O2Z  _O12     9     1.26234   114.94160   136.37655
   10     5 S   CT   _CB1    10     1.53060   107.40698  -147.75461
   11    10 S   HC   HB11    11     1.09841   109.34306   -49.34280
   12    10 S   HC   HB12    12     1.09811   110.46889    67.25272
   13    10 S   CT   _CG1    13     1.53020   112.63932  -170.27660
   14    13 S   HC   HG11    14     1.09570   110.72867   -67.04966
   15    13 S   HC   HG12    15     1.09669   109.70622    52.20407
   16    13 S   C    _CD1    16     1.51810   111.99766   172.69365
   17    16 S   O    _OE1    17     1.22753   123.18414    11.95965
   18    16 S   N    _N2_    18     1.38649   111.84088  -168.09034
   19    18 S   H    _HN2    19     1.01581   118.98691     1.19812
   20    18 S   CT1  _CA2    20     1.46221   123.35767   176.65813
   21    20 S   HC   _HA2    21     1.09738   109.28833     7.36745
   22    20 S   C    _C2_    22     1.53668   108.83386  -108.16342
   23    22 S   O    _O2_    23     1.23082   122.22540  -148.57095
   24    20 S   CT   _CB2    32     1.53344   111.65997   129.35516
   25    24 S   HC   HB21    33     1.09589   110.03790    56.78771
   26    24 S   HC   HB22    34     1.09411   109.94760   175.75693
   27    22 S   N    _N3_    24     1.38304   113.86691    38.89474
   28    27 S   H    _HN3    25     1.01547   119.62643    -3.14037
   29    24 S   S    _SG2    35     1.82708   111.55697   -64.08959
   30    27 S   CT   _CA3    26     1.45287   123.29141   177.23948
   31    30 S   HC   HA31    27     1.09547   107.50080   -65.08213
   32    30 S   HC   HA32    28     1.09554   108.01332    51.38315
   33    29 S   CT   _C13    36     1.84410    99.61476   175.12327
   34    33 S   HC   _H4_    37     1.09144   105.44263   -42.16409
   35    30 S   CO3  _C3_    29     1.52981   114.03015   173.38491
   36    35 S   O2Z  _O31    30     1.26385   116.06781    -0.69633
   37    35 S   O2Z  _O32    31     1.26423   114.42299   179.36851
   38    33 S   CM   _C14    38     1.51303   107.34593  -159.63188
   39    38 S   HC   _H11    39     1.09083   115.44593   -59.67543
   40    33 S   CT   _C12    46     1.54311   112.25269    75.31476
   41    40 S   HC   _H3_    47     1.09621   112.16702   -51.57393
   42    38 S   CM   _C15    40     1.34062   128.28523   122.52538
   43    40 S   CA   _C7_    48     1.51334   112.93682  -172.75191
   44    40 S   CO4  _C11    61     1.54024   114.94205    71.40065
   45    44 S   O    _O33    62     1.22444   124.95280   -59.26508
   46    42 S   CO3  _C16    41     1.54952   126.02004    -1.59728
   47    46 S   O2Z  _O35    42     1.26671   113.89507   141.38841
   48    46 S   O2Z  _O34    43     1.26172   116.60241   -41.06186
   49    42 S   OH   _O36    44     1.38813   118.97867   176.31209
   50    49 S   HO   _H12    45     0.97517   106.37214  -171.93856
   51    43 S   CA   _C6_    49     1.38814   127.40818    57.50182
   52    51 S   HA   _H7_    50     1.08524   121.21951    -0.34943
   53    51 S   CA   _C5_    51     1.39621   118.63652  -179.97202
   54    53 S   HA   _H6_    52     1.08674   119.72317   179.51382
   55    53 S   CA   _C4_    53     1.40234   120.62218    -0.37742
   56    55 S   HA   _H5_    54     1.08669   119.61503   179.92087
   57    55 S   CA   _C9_    55     1.39598   120.59539    -0.08393
   58    57 S   HA   _H8_    56     1.08501   120.40548  -179.91153
   59    43 S   CA   _C8_    57     1.40293   111.97558  -123.17001
   60    59 S   CT   _C10    58     1.49559   112.20169     0.10835
   61    60 S   HC   _H9_    59     1.09267   111.17988   116.45932
   62    60 S   HC   _H10    60     1.09264   111.14290  -117.70214
  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
  14   7   2   1   1  11   4  13   6   5  13   7   4   4   2   1
   1   1   8   4   6   3   5   3   5   2   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    42    40    41    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    49    40    41    43    51    59    60    44    45  
   38    39    42    40    41    43    44  
   36    37  
   37  
    0  
   39    42    46    47    48    49    50    40    41    43    44  
   42    46    49    40  
   41    43    51    52    53    57    59    60    61    62    44    45    42  
   43    51    59    60    44    45  
   46    47    48    49    50  
   51    52    53    54    55    57    58    59    60    61    62    44    45  
   45    51    57    59    60    61    62  
   59    60    61    62  
   47    48    49    50  
   48    49  
   49  
   50  
    0  
   52    53    54    55    56    57    59    60  
   53    54    55    59  
   54    55    56    57    58    59  
   55    56    57  
   56    57    58    59    60  
   57    58    59  
   58    59    60    61    62  
   59    60  
   60    61    62  
   61    62  
   62  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   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  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    46   230.000  1.545
   42    49   510.000  1.338
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    44   317.000  1.522
   43    51   469.000  1.400
   43    59   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    44   317.000  1.522
   44    45   570.000  1.229
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.17500
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    46    55.00000  124.75400
   38    42    49    80.00000  121.38400
   42    38    39    35.00000  120.00000
   42    46    47    85.00000  113.83300
   42    46    48    85.00000  113.83300
   42    49    50    70.00000  107.45700
   48    46    47    80.00000  126.00000
   49    42    46    80.00000  119.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    51    70.00000  120.00000
   40    43    59    70.00000  120.00000
   40    44    60    70.00000  116.00000
   40    44    45    80.00000  120.40000
   43    40    41    35.00000  109.50000
   43    51    52    35.00000  120.00000
   43    51    53    63.00000  120.00000
   43    59    57    63.00000  120.00000
   43    59    60    70.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    70.00000  120.00000
   59    43    51    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    44    70.00000  110.93000
   60    44    45    80.00000  120.40000
   62    60    61    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    43    70.00000  110.93000
   44    60    61    35.00000  109.50000
   44    60    62    35.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    46   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    40    43    51   0.04150 -1.0 2.0
   33    40    43    59   0.04150 -1.0 2.0
   33    40    44    60   0.60050  1.0 1.0
   33    40    44    60   0.05600 -1.0 2.0
   33    40    44    60   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.43200  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.21200  1.0 1.0
   38    33    40    43   0.16900 -1.0 2.0
   38    33    40    43  -1.15100  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    42    46    47  -0.04000 -1.0 2.0
   38    42    46    47  -0.29050  1.0 3.0
   38    42    46    48  -0.04000 -1.0 2.0
   38    42    46    48  -0.29050  1.0 3.0
   38    42    49    50  -0.66100  1.0 1.0
   38    42    49    50   1.20850 -1.0 2.0
   38    42    49    50  -0.36000  1.0 3.0
   39    38    42    46   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   46    42    49    50   2.00000 -1.0 2.0
   49    42    46    47   1.68800 -1.0 2.0
   49    42    46    48   1.68800 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    43    51    52   3.62500 -1.0 2.0
   40    43    51    53   3.62500 -1.0 2.0
   40    43    59    57   3.62500 -1.0 2.0
   40    43   -59    60   3.62500 -1.0 2.0
   41    40    43    51   0.00000  1.0 1.0
   41    40    43    59   0.00000  1.0 1.0
   41    40    44    60   0.00000  1.0 1.0
   41    40    44    45   0.00000  1.0 1.0
   43    40   -44    60   0.65300  1.0 1.0
   43    40   -44    60  -0.03850 -1.0 2.0
   43    40   -44    60   0.33900  1.0 3.0
   43    40    44    45   0.30150 -1.0 2.0
   43    51    53    54   3.62500 -1.0 2.0
   43    51    53    55   3.62500 -1.0 2.0
   43    59    60    61   0.00000  1.0 1.0
   43    59    60    62   0.00000  1.0 1.0
   43    59   -60    44   0.04300 -1.0 2.0
   51    43    59    57   3.62500 -1.0 2.0
   51    43    59    60   3.62500 -1.0 2.0
   51    53    55    56   3.62500 -1.0 2.0
   51    53   -55    57   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55    57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57   -59    43   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    60    61   0.00000  1.0 1.0
   57    59    60    62   0.00000  1.0 1.0
   57    59    60    44   0.04300 -1.0 2.0
   58    57    59    43   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   59    43    51    52   3.62500 -1.0 2.0
   59    43   -51    53   3.62500 -1.0 2.0
   59    60   -44    40   0.65300  1.0 1.0
   59    60   -44    40  -0.03850 -1.0 2.0
   59    60   -44    40   0.33900  1.0 3.0
   59    60    44    45   0.30150 -1.0 2.0
   61    60    44    40   0.00000  1.0 1.0
   61    60    44    45   0.00000  1.0 1.0
   62    60    44    40   0.00000  1.0 1.0
   62    60    44    45   0.00000  1.0 1.0
   44    40    43    51   0.04300 -1.0 2.0
   44    40   -43    59   0.04300 -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    39    38    42  15.00000 -1.0 2.0
   46    49    42    38  15.00000 -1.0 2.0
   47    42    46    48  10.50000 -1.0 2.0
   51    59    43    40   4.00000 -1.0 2.0
   53    52    51    43   1.10000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   57    60    59    43   4.00000 -1.0 2.0
   40    60    44    45  10.50000 -1.0 2.0
END
