* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    231     427
    1     0 S   NP   _N1_     1    28.83948    94.96717   -22.52081
    2     1 S   H    _HN1     2     1.02789    99.27656  -106.65581
    3     1 S   H    _H1_     3     1.02945    82.98292     0.84811
    4     1 S   H    _H2_     4     1.02826    30.42631   143.71659
    5     1 S   CT   _CA1     5     1.50121   138.47997   113.92093
    6     5 S   HC   _HA1     6     1.09579   105.18881    75.08134
    7     5 S   CO3  _C1_     7     1.53794   112.17653   -45.05256
    8     7 S   O2Z  _O11     8     1.26372   115.05443   -49.14666
    9     7 S   O2Z  _O12     9     1.26220   114.93505   129.67944
   10     5 S   CT   _CB1    10     1.53059   107.34640  -167.13877
   11    10 S   HC   HB11    11     1.09836   109.43308   -50.17809
   12    10 S   HC   HB12    12     1.09809   110.47129    66.43489
   13    10 S   CT   _CG1    13     1.52972   112.53639  -171.11551
   14    13 S   HC   HG11    14     1.09533   110.43270   -65.30753
   15    13 S   HC   HG12    15     1.09649   109.84803    53.92256
   16    13 S   C    _CD1    16     1.51802   112.04617   174.68356
   17    16 S   O    _OE1    17     1.22767   123.14819    11.01930
   18    16 S   N    _N2_    18     1.38654   111.92663  -169.46410
   19    18 S   H    _HN2    19     1.01632   118.93103     1.79450
   20    18 S   CT1  _CA2    20     1.46341   123.29325   179.78150
   21    20 S   HC   _HA2    21     1.09738   109.21454     5.90186
   22    20 S   C    _C2_    22     1.53499   109.18228  -109.88116
   23    22 S   O    _O2_    23     1.23084   122.12170  -149.37146
   24    20 S   CT   _CB2    32     1.53520   111.42685   127.54396
   25    24 S   HC   HB21    33     1.09105   109.28496    62.79865
   26    24 S   HC   HB22    34     1.09537   110.28798  -179.60833
   27    22 S   N    _N3_    24     1.38279   113.86955    38.08719
   28    27 S   H    _HN3    25     1.01574   119.59658    -3.49480
   29    24 S   S    _SG2    35     1.82873   110.64142   -60.82726
   30    27 S   CT   _CA3    26     1.45285   123.21049   177.06929
   31    30 S   HC   HA31    27     1.09551   107.52979   -63.95577
   32    30 S   HC   HA32    28     1.09558   107.95502    52.46919
   33    29 S   CT   _C15    36     1.90587   103.53024   145.45281
   34    30 S   CO3  _C3_    29     1.52960   114.10354   174.45253
   35    34 S   O2Z  _O31    30     1.26373   116.08668    -0.61134
   36    34 S   O2Z  _O32    31     1.26432   114.40899   179.43977
   37    33 S   CT   _C7_    37     1.54431   108.65168   -61.02771
   38    37 S   HC   _H23    38     1.09435   111.91277   178.27876
   39    37 S   HC   _H24    39     1.09330   112.08500    61.13334
   40    33 S   CT   _C9_    53     1.54690   106.73829    59.29104
   41    40 S   HC   _H27    54     1.09655   111.35692   -59.10232
   42    40 S   HC   _H28    55     1.09621   110.16622  -174.16676
   43    37 S   CO4  _C4_    40     1.51353   112.00193   -60.57196
   44    43 S   O    _O16    41     1.22763   122.01701   137.08358
   45    43 S   C3T  _C13    42     1.49156   116.53727   -43.97757
   46    45 S   C3T  _C11    43     1.52149   120.51225    17.88257
   47    46 S   HC   _H30    44     1.08297   118.12791  -156.01268
   48    45 S   CM   _C6_    67     1.48160   114.66979  -132.61363
   49    33 S   CT   _C14    45     1.60198   111.62328   178.25482
   50    45 S   O3T  _O17    66     1.44474   112.17165    81.88096
   51    48 S   CM   _C5_    68     1.34478   122.89976   -94.45040
   52    51 S   HC   _H21    69     1.08466   121.92790  -180.00000
   53    51 S   HC   _H22    70     1.08569   120.90402     0.54608
   54    48 S   CT   _C18    71     1.50815   117.00293    86.07985
   55    54 S   HC   _H38    72     1.09485   110.41939    60.34064
   56    54 S   HC   _H39    73     1.09530   111.90163  -179.29307
   57    49 S   CT   _C10    46     1.57384   109.20537   -57.53940
   58    57 S   HC   _H29    47     1.09720   109.13041    62.91735
   59    49 S   CT   _C17    62     1.56974   111.16355  -177.48363
   60    59 S   HC   _H35    63     1.09378   112.02481   -60.63964
   61    59 S   HC   _H36    64     1.09600   111.17253  -177.83066
   62    59 S   HC   _H37    65     1.09168   113.58995    61.42175
   63    54 S   OH   _O19    74     1.42132   109.71780   -59.36630
   64    63 S   HO   _H41    75     0.97231   107.01057  -177.95340
   65    57 S   CT   _C12    48     1.55189   111.23992   -56.42016
   66    65 S   HC   _H31    49     1.09611   109.46892   -73.07719
   67    57 S   CT   _C16    58     1.54133   114.65375   179.04715
   68    67 S   HC   _H32    59     1.09383   112.11132    65.93942
   69    67 S   HC   _H33    60     1.09333   111.69008   -56.20922
   70    67 S   HC   _H34    61     1.09578   110.60940  -174.56953
   71    65 S   CT   _C8_    50     1.53151   114.51997    49.49566
   72    71 S   HC   _H25    51     1.09786   108.93392  -167.91461
   73    71 S   HC   _H26    52     1.09710   109.48107    78.71561
   74    65 S   OH   _O18    56     1.42946   109.09488   170.91617
   75    74 S   HO   _H40    57     0.97246   107.60614   178.16006
  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  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   9   4  14  14   5  10
  15   4   6   2   1   4   3   2  16   9   5   2   1   1   1   1
  10   6   5   2   1   1   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    46    49    57    71    40    41    42    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    46    47    49    57    58    65    71    72    73    40    41    42    67    59    60    61    62    50  
   35    36  
   36  
    0  
   38    39    43    44    45    46    49    57    71    40    41    42    59    50    48  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    74    59    43    46    49    57    65    66    71    72    73  
   42    49    65    71    72    73  
   49    65    71    72    73  
   44    45    46    47    49    50    48    51    54  
   45    46    50    48  
   46    47    49    57    59    50    48    51    52    53    54    55    56    63  
   47    49    57    58    65    67    59    60    61    62    50    48    51    54  
   49    57    59    50    48  
   51    52    53    54    55    56    63    64    49    50  
   57    58    65    66    71    74    67    68    69    70    59    60    61    62    50  
   51    54    57    59  
   52    53    54    55    56    63  
   53    54  
   54  
   55    56    63    64  
   56    63    64  
   63    64  
   58    65    66    71    72    73    74    75    67    68    69    70    59    60    61    62  
   65    66    71    74    67    68    69    70    59  
   60    61    62    65    67  
   61    62  
   62  
    0  
   64  
    0  
   66    71    72    73    74    75    67    68    69    70  
   71    72    73    74    75    67  
   68    69    70    71    74  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74  
   74  
   75  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   290.000  1.496
   45    46   260.000  1.509
   45    50   335.000  1.432
   45    48   305.000  1.480
   46    47   340.000  1.088
   46    49   275.000  1.510
   46    50   335.000  1.432
   49    57   268.000  1.529
   49    59   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   57    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   74    75   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    51   549.000  1.340
   48    54   317.000  1.510
   51    52   340.000  1.080
   51    53   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   320.000  1.410
   63    64   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    46    70.00000  112.37300
   33    49    57    58.35000  112.70000
   33    49    59    58.35000  112.70000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  117.32000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    65.00000  117.18000
   43    45    50    80.00000  114.91000
   43    45    48    70.00000  109.06800
   45    43    44    75.00000  121.36600
   45    46    47    37.50000  117.20000
   45    46    49    60.00000  120.94000
   45    46    50    15.00000   60.43100
   45    50    46    15.00000   59.14900
   45    48    51    55.00000  125.06700
   45    48    54    65.00000  117.92700
   46    49    57    70.00000  112.37300
   46    49    59    70.00000  112.37300
   49    33    37    58.35000  112.70000
   49    46    47    40.00000  115.04500
   49    57    58    37.50000  110.70000
   49    57    65    58.35000  112.70000
   49    57    67    58.35000  112.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    71    58.35000  112.70000
   57    65    74    50.00000  109.50000
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    67    70    37.50000  110.70000
   65    57    58    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    40    58.35000  112.70000
   65    74    75    55.00000  108.50000
   71    65    66    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    42    37.50000  110.70000
   73    71    72    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   42    40    41    33.00000  107.80000
   74    65    66    35.00000  109.50000
   74    65    71    50.00000  109.50000
   67    57    58    37.50000  110.70000
   67    57    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    49    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   50    45    46    15.00000   60.43100
   50    46    47    50.00000  114.27700
   50    46    49    80.00000  116.47100
   48    45    46    60.00000  120.58800
   48    45    50    85.00000  114.23300
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    63    90.00000  110.39200
   53    51    52    35.00000  117.00000
   54    48    51    70.00000  124.00000
   54    63    64    55.00000  108.50000
   56    54    55    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    56    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    57   0.44750  1.0 1.0
   29    33    49    57  -0.17800 -1.0 2.0
   29    33    49    57   0.20200  1.0 3.0
   29    33    49    59   0.44750  1.0 1.0
   29    33    49    59  -0.17800 -1.0 2.0
   29    33    49    59   0.20200  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    49    57    58   0.15000  1.0 3.0
   33    49    57    65   0.56750  1.0 1.0
   33    49    57    65  -0.07550 -1.0 2.0
   33    49    57    65   0.20000  1.0 3.0
   33    49    57    67   0.56750  1.0 1.0
   33    49    57    67  -0.07550 -1.0 2.0
   33    49    57    67   0.20000  1.0 3.0
   33    49    59    60   0.15000  1.0 3.0
   33    49    59    61   0.15000  1.0 3.0
   33    49    59    62   0.15000  1.0 3.0
   37    33    49    46   0.47050  1.0 1.0
   37    33    49    46   0.03900 -1.0 2.0
   37    33    49    46   0.20100  1.0 3.0
   37    33    49    57   0.56750  1.0 1.0
   37    33    49    57  -0.07550 -1.0 2.0
   37    33    49    57   0.20000  1.0 3.0
   37    33    49    59   0.56750  1.0 1.0
   37    33    49    59  -0.07550 -1.0 2.0
   37    33    49    59   0.20000  1.0 3.0
   37    33    40    71   0.56750  1.0 1.0
   37    33    40    71  -0.07550 -1.0 2.0
   37    33    40    71   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43   -45    46   0.60050  1.0 1.0
   37    43   -45    46   0.05600 -1.0 2.0
   37    43   -45    46   0.26150  1.0 3.0
   37    43    45    50   0.55300  1.0 1.0
   37    43    45    50   1.25850 -1.0 2.0
   37    43    45    50  -0.23600  1.0 3.0
   37    43    45    48   0.65300  1.0 1.0
   37    43    45    48  -0.03850 -1.0 2.0
   37    43    45    48   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    46    47   0.15000  1.0 3.0
   43    45    46    49  -0.95700  1.0 1.0
   43    45    46    49  -0.18200 -1.0 2.0
   43    45    46    49   0.29450  1.0 3.0
   43    45   -46    50  -0.09450  1.0 1.0
   43    45   -46    50  -1.12950 -1.0 2.0
   43    45   -46    50   0.54000  1.0 3.0
   43    45   -50    46  -1.11000  1.0 1.0
   43    45   -50    46   0.50250 -1.0 2.0
   43    45   -50    46   0.47450  1.0 3.0
   43    45    48    51  -0.51250  1.0 1.0
   43    45    48    51  -0.88800 -1.0 2.0
   43    45    48    51   0.08850  1.0 3.0
   43    45    48    54   0.17250  1.0 1.0
   43    45    48    54  -0.04100 -1.0 2.0
   43    45    48    54  -0.33850  1.0 3.0
   44    43    45    46   0.30150 -1.0 2.0
   44    43    45    50   0.30150 -1.0 2.0
   44    43    45    48   0.30150 -1.0 2.0
   45    46   -49    33   0.07850  1.0 1.0
   45    46   -49    33  -0.03950 -1.0 2.0
   45    46   -49    33   0.67350  1.0 3.0
   45    46    49    57   0.07850  1.0 1.0
   45    46    49    57  -0.03950 -1.0 2.0
   45    46    49    57   0.67350  1.0 3.0
   45    46    49    59   0.07850  1.0 1.0
   45    46    49    59  -0.03950 -1.0 2.0
   45    46    49    59   0.67350  1.0 3.0
   45    48    51    52   7.00000 -1.0 2.0
   45    48    51    53   7.00000 -1.0 2.0
   45    48    54    55   0.34800  1.0 3.0
   45    48    54    56   0.34800  1.0 3.0
   45    48    54    63   0.18000  1.0 1.0
   45    48    54    63   0.16450 -1.0 2.0
   45    48    54    63   0.04450  1.0 3.0
   46    45    48    51   0.09850  1.0 1.0
   46    45    48    51   0.15250 -1.0 2.0
   46    45    48    51  -0.50650  1.0 3.0
   46    45    48    54   0.46850  1.0 1.0
   46    45    48    54   0.08550 -1.0 2.0
   46    45    48    54   0.09800  1.0 3.0
   46    49    57    58   0.15000  1.0 3.0
   46    49    57    65   0.47050  1.0 1.0
   46    49    57    65   0.03900 -1.0 2.0
   46    49    57    65   0.20100  1.0 3.0
   46    49    57    67   0.47050  1.0 1.0
   46    49    57    67   0.03900 -1.0 2.0
   46    49    57    67   0.20100  1.0 3.0
   46    49    59    60   0.15000  1.0 3.0
   46    49    59    61   0.15000  1.0 3.0
   46    49    59    62   0.15000  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    57   0.15000  1.0 3.0
   47    46    49    59   0.15000  1.0 3.0
   47    46   -50    45   0.36800  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    43  -0.95700  1.0 1.0
   49    33   -37    43  -0.18200 -1.0 2.0
   49    33   -37    43   0.29450  1.0 3.0
   49    33    40    71   0.56750  1.0 1.0
   49    33    40    71  -0.07550 -1.0 2.0
   49    33    40    71   0.20000  1.0 3.0
   49    33    40    41   0.15000  1.0 3.0
   49    33    40    42   0.15000  1.0 3.0
   49    46   -50    45   0.06250  1.0 1.0
   49    46   -50    45  -0.01100 -1.0 2.0
   49    46   -50    45   0.28050  1.0 3.0
   49    57    65    66   0.15000  1.0 3.0
   49    57   -65    71   0.56750  1.0 1.0
   49    57   -65    71  -0.07550 -1.0 2.0
   49    57   -65    71   0.20000  1.0 3.0
   49    57    65    74   0.86500  1.0 1.0
   49    57    65    74  -0.17500 -1.0 2.0
   49    57    65    74   0.20800  1.0 3.0
   49    57    67    68   0.15000  1.0 3.0
   49    57    67    69   0.15000  1.0 3.0
   49    57    67    70   0.15000  1.0 3.0
   57    49    59    60   0.15000  1.0 3.0
   57    49    59    61   0.15000  1.0 3.0
   57    49    59    62   0.15000  1.0 3.0
   57    65    71    72   0.15000  1.0 3.0
   57    65    71    73   0.15000  1.0 3.0
   57    65    71    40   0.56750  1.0 1.0
   57    65    71    40  -0.07550 -1.0 2.0
   57    65    71    40   0.20000  1.0 3.0
   57    65    74    75  -0.11600  1.0 1.0
   57    65    74    75  -0.09450 -1.0 2.0
   57    65    74    75   0.21250  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    71   0.15000  1.0 3.0
   58    57    65    74   0.23400  1.0 3.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    69   0.15000  1.0 3.0
   58    57    67    70   0.15000  1.0 3.0
   65    57    67    68   0.15000  1.0 3.0
   65    57    67    69   0.15000  1.0 3.0
   65    57    67    70   0.15000  1.0 3.0
   65    71   -40    33   0.56750  1.0 1.0
   65    71   -40    33  -0.07550 -1.0 2.0
   65    71   -40    33   0.20000  1.0 3.0
   65    71    40    41   0.15000  1.0 3.0
   65    71    40    42   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    40   0.15000  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   71    65    74    75  -0.11600  1.0 1.0
   71    65    74    75  -0.09450 -1.0 2.0
   71    65    74    75   0.21250  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    42   0.15000  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    41   0.15000  1.0 3.0
   73    71    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    49    46   0.47050  1.0 1.0
   40    33    49    46   0.03900 -1.0 2.0
   40    33    49    46   0.20100  1.0 3.0
   40    33   -49    57   0.56750  1.0 1.0
   40    33   -49    57  -0.07550 -1.0 2.0
   40    33   -49    57   0.20000  1.0 3.0
   40    33    49    59   0.56750  1.0 1.0
   40    33    49    59  -0.07550 -1.0 2.0
   40    33    49    59   0.20000  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    40   0.86500  1.0 1.0
   74    65    71    40  -0.17500 -1.0 2.0
   74    65    71    40   0.20800  1.0 3.0
   67    57    65    66   0.15000  1.0 3.0
   67    57    65    71   0.56750  1.0 1.0
   67    57    65    71  -0.07550 -1.0 2.0
   67    57    65    71   0.20000  1.0 3.0
   67    57    65    74   0.86500  1.0 1.0
   67    57    65    74  -0.17500 -1.0 2.0
   67    57    65    74   0.20800  1.0 3.0
   59    49    57    58   0.15000  1.0 3.0
   59    49    57    65   0.56750  1.0 1.0
   59    49    57    65  -0.07550 -1.0 2.0
   59    49    57    65   0.20000  1.0 3.0
   59    49    57    67   0.56750  1.0 1.0
   59    49    57    67  -0.07550 -1.0 2.0
   59    49    57    67   0.20000  1.0 3.0
   50    45   -46    47   0.23400  1.0 3.0
   50    45   -46    49   0.02550  1.0 1.0
   50    45   -46    49  -0.02600 -1.0 2.0
   50    45   -46    49   1.20400  1.0 3.0
   50    45    48    51   0.39000  1.0 1.0
   50    45    48    51  -0.05800 -1.0 2.0
   50    45    48    51  -0.55150  1.0 3.0
   50    45    48    54   0.09700  1.0 1.0
   50    45    48    54   0.15600 -1.0 2.0
   50    45    48    54  -0.50800  1.0 3.0
   50    46    49    33   0.02550  1.0 1.0
   50    46    49    33  -0.02600 -1.0 2.0
   50    46    49    33   1.20400  1.0 3.0
   50    46    49    57   0.02550  1.0 1.0
   50    46    49    57  -0.02600 -1.0 2.0
   50    46    49    57   1.20400  1.0 3.0
   50    46    49    59   0.02550  1.0 1.0
   50    46    49    59  -0.02600 -1.0 2.0
   50    46    49    59   1.20400  1.0 3.0
   48    45    46    47   0.15000  1.0 3.0
   48    45    46    49   0.34400  1.0 1.0
   48    45    46    49   0.09450 -1.0 2.0
   48    45    46    49   0.11100  1.0 3.0
   48    45   -46    50   0.61850  1.0 1.0
   48    45   -46    50  -0.22750 -1.0 2.0
   48    45   -46    50   0.15300  1.0 3.0
   48    45   -50    46  -0.77900  1.0 1.0
   48    45   -50    46  -0.36900 -1.0 2.0
   48    45   -50    46   0.40400  1.0 3.0
   48    54    63    64  -0.07800  1.0 1.0
   48    54    63    64  -0.21500 -1.0 2.0
   48    54    63    64  -0.03150  1.0 3.0
   51    48    54    55   0.00000  1.0 1.0
   51    48    54    56   0.00000  1.0 1.0
   51    48    54    63   0.67800  1.0 1.0
   51    48    54    63   0.47050 -1.0 2.0
   51    48    54    63  -0.62500  1.0 3.0
   54    48    51    52   7.00000 -1.0 2.0
   54    48    51    53   7.00000 -1.0 2.0
   55    54    63    64   0.19450  1.0 3.0
   56    54    63    64   0.19450  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   45    54    48    51  15.00000 -1.0 2.0
   52    53    51    48  15.00000 -1.0 2.0
END
