* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    110    161     316
    1     0 S   NP   _N1_     1    28.09024    95.61032   -21.48116
    2     1 S   H    _HN1     2     1.02779    95.51185  -128.53977
    3     1 S   H    _H1_     3     1.02956    83.70474   -20.67666
    4     1 S   H    _H2_     4     1.02837    32.18465   116.28522
    5     1 S   CT   _CA1     5     1.50135   141.49563    94.48580
    6     5 S   HC   _HA1     6     1.09578   105.22628    71.56863
    7     5 S   CO3  _C1_     7     1.53792   112.16999   -48.60088
    8     7 S   O2Z  _O11     8     1.26357   115.02287   -48.08508
    9     7 S   O2Z  _O12     9     1.26220   114.92443   130.80906
   10     5 S   CT   _CB1    10     1.53082   107.38794  -170.59920
   11    10 S   HC   HB11    11     1.09830   109.39600   -50.38294
   12    10 S   HC   HB12    12     1.09812   110.44365    66.18209
   13    10 S   CT   _CG1    13     1.52998   112.62554  -171.39212
   14    13 S   HC   HG11    14     1.09591   110.49945   -63.75001
   15    13 S   HC   HG12    15     1.09656   109.91882    55.46312
   16    13 S   C    _CD1    16     1.51851   112.20470   175.96357
   17    16 S   O    _OE1    17     1.22757   123.30698     2.98741
   18    16 S   N    _N2_    18     1.38448   111.72197  -177.25248
   19    18 S   H    _HN2    19     1.01528   119.06934     3.76140
   20    18 S   CT1  _CA2    20     1.45905   123.03582   179.43525
   21    20 S   HC   _HA2    21     1.09720   108.79793    26.92281
   22    20 S   C    _C2_    22     1.52891   106.96341   -90.39561
   23    22 S   O    _O2_    23     1.22998   123.03131   -27.96776
   24    20 S   CT   _CB2    32     1.53278   112.16323   150.07340
   25    24 S   HC   HB21    33     1.09049   109.19736    57.60771
   26    24 S   HC   HB22    34     1.09490   110.13482   176.10454
   27    22 S   N    _N3_    24     1.38494   112.59970   154.72855
   28    27 S   H    _HN3    25     1.01657   120.33826    -1.64128
   29    24 S   S    _SG2    35     1.82618   110.69667   -63.44356
   30    27 S   CT   _CA3    26     1.45343   122.42234   178.65244
   31    30 S   HC   HA31    27     1.09569   107.66848   -58.54547
   32    30 S   HC   HA32    28     1.09566   107.72391    57.75059
   33    29 S   CT   _C8_    36     1.88158   102.24948   168.15600
   34    33 S   OM   _O33    37     1.32345   108.58987    59.67730
   35    30 S   CO3  _C3_    29     1.52876   114.40621   179.60238
   36    35 S   O2Z  _O31    30     1.26325   116.10322    -1.17603
   37    35 S   O2Z  _O32    31     1.26450   114.39245   178.84580
   38    33 S   CM   _C5_    38     1.54805   108.21760   175.17895
   39    38 S   CMA  _C6_    39     1.36323   118.57444   137.86317
   40    39 S   OM   _O34    40     1.26460   129.52894  -179.45356
   41    38 S   CT   _C4_    59     1.51844   119.69593   -43.97383
   42    41 S   HC   _H3_    60     1.09490   111.05783   -45.13352
   43    41 S   HC   _H4_    61     1.09492   112.65406  -164.15263
   44    41 S   HC   _H5_    62     1.09437   110.78725    75.91440
   45    39 S   S    _S1_    41     1.78527   109.66365     2.04813
   46    33 S   CT   _C7_    42     1.59000   113.11809   -66.77170
   47    46 S   CM   _C10    43     1.54408   113.47471   -32.20790
   48    47 S   HC   _H9_    44     1.09573   110.46215   -57.44957
   49    46 S   CT   _C9_    55     1.54344   115.72810   105.16436
   50    49 S   HC   _H6_    56     1.09817   112.58176    61.44018
   51    49 S   HC   _H7_    57     1.09331   111.90621   -57.45739
   52    49 S   HC   _H8_    58     1.09683   111.91040  -179.01245
   53    47 S   CM   _C11    45     1.35343   134.87155   122.36464
   54    53 S   CM   _C13    46     1.46927   117.37493   178.62044
   55    54 S   HC   _H13    47     1.08966   116.51408     4.06895
   56    53 S   CT   _C12    51     1.50420   126.73690    -2.59284
   57    56 S   HC   _H10    52     1.09636   110.90684  -131.66424
   58    56 S   HC   _H11    53     1.09515   110.46193   107.90319
   59    56 S   HC   _H12    54     1.08605   114.14182   -13.87684
   60    54 S   CM   _C14    48     1.33956   127.29296  -175.39436
   61    60 S   HC   _H14    49     1.08580   119.78900   179.85329
   62    60 S   HC   _H15    50     1.08329   123.29377     0.23407
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  10   9   3   5   2   1   1   8   9  13   4
   4   2   1   1   9   8   4   4   2   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    46    47    49    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    47    48    53    49    50    51    52    41    42    43    44  
   38    39    45    46    47    49    41  
   36    37  
   37  
    0  
   39    40    45    46    47    49    41    42    43    44  
   40    45    46    47    49    41    42    43    44  
   45    46    41  
   42    43    44    45    46  
   43    44  
   44  
    0  
   46    47    48    53    49    50    51    52  
   47    48    53    54    56    49    50    51    52  
   48    53    54    55    60    56    57    58    59    49    50    51    52  
   53    54    56    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.6000   0.3550  -0.575000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   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   570.000  1.307
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   240.000  1.763
   45    46   222.000  1.810
   46    47   317.000  1.510
   46    49   268.000  1.529
   47    48   340.000  1.080
   47    53   549.000  1.340
   53    54   380.000  1.444
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    46    45    75.00000  111.63000
   33    46    47    70.00000  112.02700
   33    46    49    58.35000  112.70000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.11800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    85.00000  102.41200
   45    39    40    95.00000  113.88000
   45    46    47    75.00000  112.20000
   45    46    49    75.00000  111.63000
   46    33    34    50.00000  109.50000
   46    33    38    70.00000  112.02700
   46    47    48    35.00000  117.00000
   46    47    53    70.00000  124.00000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    37.50000  110.70000
   47    53    54    70.00000  123.01800
   47    53    56    70.00000  124.00000
   53    47    48    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    35.00000  120.00000
   60    54    55    35.00000  120.00000
   62    60    61    35.00000  117.00000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   49    46    47    70.00000  112.02700
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    49   0.44750  1.0 1.0
   29    33    46    49  -0.17800 -1.0 2.0
   29    33    46    49   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    45   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    44   0.34800  1.0 3.0
   33    46    47    48   0.00000  1.0 1.0
   33    46    47    53   0.09850  1.0 1.0
   33    46    47    53   0.15250 -1.0 2.0
   33    46    47    53  -0.50650  1.0 3.0
   33    46    49    50   0.15000  1.0 3.0
   33    46    49    51   0.15000  1.0 3.0
   33    46    49    52   0.15000  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    46    45   0.56750  1.0 1.0
   34    33    46    45  -0.07550 -1.0 2.0
   34    33    46    45   0.20000  1.0 3.0
   34    33    46    47   0.61850  1.0 1.0
   34    33    46    47  -0.22750 -1.0 2.0
   34    33    46    47   0.15300  1.0 3.0
   34    33    46    49   0.62750  1.0 1.0
   34    33    46    49  -0.30950 -1.0 2.0
   34    33    46    49   0.27300  1.0 3.0
   38    33   -46    45   0.56750  1.0 1.0
   38    33   -46    45  -0.07550 -1.0 2.0
   38    33   -46    45   0.20000  1.0 3.0
   38    33    46    47   0.31000  1.0 1.0
   38    33    46    47   0.14700 -1.0 2.0
   38    33    46    47   0.07550  1.0 3.0
   38    33    46    49   0.34400  1.0 1.0
   38    33    46    49   0.09450 -1.0 2.0
   38    33    46    49   0.11100  1.0 3.0
   38    39   -45    46   1.00000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    44   0.00000  1.0 1.0
   39    45   -46    33   0.00000  1.0 1.0
   39    45    46    47   0.00000  1.0 1.0
   39    45    46    49   0.00000  1.0 1.0
   40    39    45    46   1.00000 -1.0 2.0
   45    46    47    48   0.00000  1.0 1.0
   45    46    47    53   0.42700  1.0 1.0
   45    46    47    53  -0.70350 -1.0 2.0
   45    46    47    53  -0.43150  1.0 3.0
   45    46    49    50   0.15000  1.0 3.0
   45    46    49    51   0.15000  1.0 3.0
   45    46    49    52   0.15000  1.0 3.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    41   0.46850  1.0 1.0
   46    33    38    41   0.08550 -1.0 2.0
   46    33    38    41   0.09800  1.0 3.0
   46    47    53    54   7.00000 -1.0 2.0
   46    47    53    56   7.00000 -1.0 2.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   47    53    54    55  -0.18600  1.0 3.0
   47    53    54    60   0.28850  1.0 1.0
   47    53    54    60   2.61350 -1.0 2.0
   47    53    54    60   0.78400  1.0 3.0
   47    53    56    57   0.00000  1.0 1.0
   47    53    56    58   0.00000  1.0 1.0
   47    53    56    59   0.00000  1.0 1.0
   48    47    53    54   7.00000 -1.0 2.0
   48    47    53    56   7.00000 -1.0 2.0
   53    54    60    61   7.00000 -1.0 2.0
   53    54    60    62   7.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    60  -0.18600  1.0 3.0
   49    46    47    48   0.00000  1.0 1.0
   49    46    47    53   0.09850  1.0 1.0
   49    46    47    53   0.15250 -1.0 2.0
   49    46    47    53  -0.50650  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    45    39    38   1.10000 -1.0 2.0
   46    48    47    53  15.00000 -1.0 2.0
   54    56    53    47  15.00000 -1.0 2.0
   53    55    54    60  15.00000 -1.0 2.0
   61    62    60    54  15.00000 -1.0 2.0
END
