* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    103    158     303
    1     0 S   NP   _N1_     1    27.84358    96.25905   -23.13767
    2     1 S   H    _HN1     2     1.02836    28.58968   139.10817
    3     1 S   H    _H1_     3     1.02778   104.38801  -119.83443
    4     1 S   H    _H2_     4     1.02957    81.83173   -12.90801
    5     1 S   CT   _CA1     5     1.50139   134.14757    97.66561
    6     5 S   HC   _HA1     6     1.09576   105.20408    79.02766
    7     5 S   CO3  _C1_     7     1.53779   112.28979   -41.13748
    8     7 S   O2Z  _O11     8     1.26367   114.99809   -45.28844
    9     7 S   O2Z  _O12     9     1.26229   114.92535   133.68762
   10     5 S   CT   _CB1    10     1.53084   107.40429  -163.10376
   11    10 S   HC   HB11    11     1.09830   109.31606   -50.45089
   12    10 S   HC   HB12    12     1.09814   110.44828    66.09477
   13    10 S   CT   _CG1    13     1.53029   112.68098  -171.50001
   14    13 S   HC   HG11    14     1.09593   110.51652   -64.71939
   15    13 S   HC   HG12    15     1.09658   109.90098    54.49101
   16    13 S   C    _CD1    16     1.51852   112.23950   174.84877
   17    16 S   O    _OE1    17     1.22768   123.24987     1.76591
   18    16 S   N    _N2_    18     1.38532   111.77217  -178.20943
   19    18 S   H    _HN2    19     1.01564   119.19037     3.62450
   20    18 S   CT1  _CA2    20     1.45842   122.85854   178.10421
   21    20 S   HC   _HA2    21     1.09738   108.81069    26.44220
   22    20 S   C    _C2_    22     1.52989   107.14089   -90.52857
   23    22 S   O    _O2_    23     1.22989   123.11220   -25.69462
   24    20 S   CT   _CB2    32     1.53179   112.25508   149.57757
   25    24 S   HC   HB21    33     1.09560   110.09390    55.03220
   26    24 S   HC   HB22    34     1.09490   109.81654   173.86192
   27    22 S   N    _N3_    24     1.38542   112.57349   156.81466
   28    27 S   H    _HN3    25     1.01660   120.31678    -1.88876
   29    24 S   S    _SG2    35     1.82954   111.03643   -66.21247
   30    27 S   CT   _CA3    26     1.45336   122.43372   178.47453
   31    30 S   HC   HA31    27     1.09573   107.70143   -56.79613
   32    30 S   HC   HA32    28     1.09562   107.68948    59.49401
   33    29 S   CT   _C10    36     1.88579   100.16899   176.61910
   34    33 S   OM   _O38    37     1.32001   106.84787   -77.70879
   35    30 S   CO3  _C3_    29     1.52876   114.41308  -178.78115
   36    35 S   O2Z  _O31    30     1.26320   116.12174    -4.48035
   37    35 S   O2Z  _O32    31     1.26453   114.39257   175.58918
   38    33 S   CM   _C11    38     1.52632   104.50972   165.97461
   39    38 S   HC   _H8_    39     1.09328   115.59465    98.52537
   40    33 S   OS   _O34    50     1.43956   108.30091    44.40525
   41    38 S   CM   _C12    40     1.34751   130.16443   -82.14628
   42    41 S   HC   _H9_    41     1.08675   115.90438  -178.01594
   43    40 S   CA   _C7_    51     1.36856   124.74093   178.26224
   44    41 S   CM   _C13    42     1.44658   127.44542     3.06101
   45    44 S   HC   _H10    43     1.08709   116.14099     2.31393
   46    43 S   CA   _C6_    52     1.39617   126.20811     0.05234
   47    46 S   HA   _H5_    53     1.08442   122.07675     0.46520
   48    44 S   CM   _C14    44     1.34054   127.57436  -177.08926
   49    46 S   CA   _C5_    54     1.39895   120.43497  -179.46368
   50    49 S   HA   _H4_    55     1.08657   119.68695   179.93147
   51    48 S   CO3  _C15    45     1.55205   126.66667    -1.11206
   52    51 S   O2Z  _O36    46     1.26737   113.82939   142.09512
   53    51 S   O2Z  _O35    47     1.26188   116.70813   -40.70202
   54    48 S   OH   _O37    48     1.39011   118.73696   177.22935
   55    54 S   HO   _H11    49     0.97501   106.32918  -171.82236
   56    49 S   CA   _C4_    56     1.39324   120.42994    -0.01978
   57    56 S   HA   _H3_    57     1.08599   120.04954   179.94766
   58    56 S   CA   _C9_    58     1.39181   119.82046    -0.01978
   59    58 S   HA   _H6_    59     1.08590   119.50122   179.94766
   60    43 S   CA   _C8_    60     1.40232   115.35597  -179.43629
   61    60 S   OH   _O33    61     1.37137   118.95356    -0.36904
   62    61 S   HO   _H7_    62     0.97166   108.87314   178.96542
  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   2   1   1   8   4   8   6   3  10   7   3   8   4   5
   6   3   4   2   1   1   1   5   3   4   2   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    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    44    40    43    46    60  
   38    39    41    40    43  
   36    37  
   37  
    0  
   39    41    42    44    45    48    40    43  
   41    42    44    40  
   43    46    47    49    58    60    61    41  
   42    44    45    48    51    54  
   44    45    48  
   46    47    49    50    56    58    59    60    61    62  
   45    48    51    52    53    54    55  
   48    51    54  
   47    49    50    56    57    58    60    61  
   49    50    56    60  
   51    52    53    54    55  
   50    56    57    58    59    60  
   56    57    58  
   52    53    54    55  
   53    54  
   54  
   55  
    0  
   57    58    59    60    61  
   58    59    60  
   59    60    61    62  
   60    61  
   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  -0.316400   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   0.640400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    40   320.000  1.410
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    44   380.000  1.444
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    51   230.000  1.545
   48    54   510.000  1.338
   51    52   656.000  1.250
   51    53   656.000  1.250
   54    55   553.000  0.945
   40    43   450.000  1.364
   43    46   469.000  1.400
   43    60   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   450.000  1.364
   61    62   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    85.00000  114.68000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    75.00000  111.00000
   38    33    34    85.00000  110.90400
   38    41    42    35.00000  120.00000
   38    41    44    70.00000  123.01800
   41    38    39    35.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    48    70.00000  123.01800
   44    41    42    35.00000  120.00000
   44    48    51    55.00000  124.75400
   44    48    54    80.00000  121.38400
   48    44    45    35.00000  120.00000
   48    51    52    85.00000  113.83300
   48    51    53    85.00000  113.83300
   48    54    55    70.00000  107.45700
   53    51    52    80.00000  126.00000
   54    48    51    80.00000  119.00000
   40    33    34   110.00000  112.65000
   40    33    38    85.00000  110.90400
   40    43    46    70.00000  120.00000
   40    43    60    70.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    49    63.00000  120.00000
   43    60    58    63.00000  120.00000
   43    60    61    70.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    56    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    56    57    35.00000  120.00000
   49    56    58    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    70.00000  120.00000
   60    43    46    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  113.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    44   7.00000 -1.0 2.0
   33    40    43    46   1.63200 -1.0 2.0
   33    40    43    60   1.63200 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    40    43  -0.25600  1.0 1.0
   34    33    40    43  -0.40050 -1.0 2.0
   34    33    40    43   0.34700  1.0 3.0
   38    33    40    43  -0.25600  1.0 1.0
   38    33    40    43  -0.40050 -1.0 2.0
   38    33    40    43   0.34700  1.0 3.0
   38    41    44    45  -0.18600  1.0 3.0
   38    41    44    48   0.28850  1.0 1.0
   38    41    44    48   2.61350 -1.0 2.0
   38    41    44    48   0.78400  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    44   7.00000 -1.0 2.0
   41    44    48    51   7.00000 -1.0 2.0
   41    44    48    54   7.00000 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    48  -0.18600  1.0 3.0
   44    48    51    52  -0.04000 -1.0 2.0
   44    48    51    52  -0.29050  1.0 3.0
   44    48    51    53  -0.04000 -1.0 2.0
   44    48    51    53  -0.29050  1.0 3.0
   44    48    54    55  -0.66100  1.0 1.0
   44    48    54    55   1.20850 -1.0 2.0
   44    48    54    55  -0.36000  1.0 3.0
   45    44    48    51   7.00000 -1.0 2.0
   45    44    48    54   7.00000 -1.0 2.0
   51    48    54    55   2.00000 -1.0 2.0
   54    48    51    52   1.68800 -1.0 2.0
   54    48    51    53   1.68800 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.39000  1.0 1.0
   40    33    38    41  -0.05800 -1.0 2.0
   40    33    38    41  -0.55150  1.0 3.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    49   3.62500 -1.0 2.0
   40    43    60    58   3.62500 -1.0 2.0
   40    43    60    61   3.62500 -1.0 2.0
   43    46    49    50   3.62500 -1.0 2.0
   43    46    49    56   3.62500 -1.0 2.0
   43    60    61    62   0.84100 -1.0 2.0
   46    43    60    58   3.62500 -1.0 2.0
   46    43    60    61   3.62500 -1.0 2.0
   46    49    56    57   3.62500 -1.0 2.0
   46    49   -56    58   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    56   3.62500 -1.0 2.0
   49    56    58    59   3.62500 -1.0 2.0
   49    56    58    60   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    58   3.62500 -1.0 2.0
   56    58   -60    43   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   0.84100 -1.0 2.0
   59    58    60    43   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   60    43    46    47   3.62500 -1.0 2.0
   60    43   -46    49   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    39    38    41  15.00000 -1.0 2.0
   44    42    41    38  15.00000 -1.0 2.0
   41    45    44    48  15.00000 -1.0 2.0
   51    54    48    44  15.00000 -1.0 2.0
   52    48    51    53  10.50000 -1.0 2.0
   46    60    43    40   4.00000 -1.0 2.0
   49    47    46    43   1.10000 -1.0 2.0
   56    50    49    46   1.10000 -1.0 2.0
   58    57    56    49   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   58    61    60    43   4.00000 -1.0 2.0
END
