* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    149    240     437
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02084    83.62827   -78.82691
    3     1 S   H    _H1_     3     1.02034    96.13625    29.38608
    4     1 S   H    _H2_     4     1.02100    34.29303   143.85768
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80967    98.50622   -78.13110
   34    33 S   HC   _H21    37     1.09543   109.02324   -59.01368
   35    33 S   HC   _H22    38     1.09496   109.20492    58.66042
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C17    39     1.48198   110.16057   179.97202
   40    39 S   CM   _C16    40     1.33898   129.88832   -89.69724
   41    40 S   OS   _O35    41     1.40910   114.75686  -178.35384
   42    40 S   OH   _O36    74     1.36799   124.63800     0.32746
   43    42 S   HO   _H23    75     0.96645   110.56447   179.96574
   44    41 S   CT   _C9_    42     1.43802    99.85027   -21.88710
   45    44 S   HC   _H4_    43     1.10076   106.19721   -81.27062
   46    39 S   CT   _C8_    44     1.48617   123.63446    96.31946
   47    46 S   HC   _H3_    45     1.10135   106.03304    86.39436
   48    46 S   CT   _C7_    46     1.51870   123.46768   -38.39658
   49    48 S   HC   _H13    47     1.09687   110.15772    65.18636
   50    48 S   HC   _H14    48     1.09533   111.18958   -52.70132
   51    48 S   CT   _C6_    49     1.54563   108.79807  -175.16333
   52    51 S   HC   _H11    50     1.09749   109.16415   177.08597
   53    51 S   HC   _H12    51     1.09609   107.20999   -68.15651
   54    51 S   CT   _C5_    52     1.56464   113.91575    53.53843
   55    44 S   CT   _C10    53     1.52830   115.99473   156.44180
   56    55 S   HC   _H5_    54     1.09997   106.58859   -61.99532
   57    54 S   CT   _C4_    70     1.55384   107.42455    71.50443
   58    57 S   HC   _H8_    71     1.07976   108.49700   179.97202
   59    57 S   HC   _H9_    72     1.08004   108.45338    60.06090
   60    57 S   HC   _H10    73     1.07977   108.50443   -59.94690
   61    55 S   C3T  _C11    55     1.50219   114.13018    55.01515
   62    61 S   C3T  _C12    56     1.51127   120.36004   154.64437
   63    62 S   HC   _H6_    57     1.08176   119.96754  -155.27165
   64    61 S   CT   _C15    66     1.48814   120.11672    -4.21491
   65    64 S   HC   _H18    67     1.10313   111.74655   180.00000
   66    64 S   HC   _H19    68     1.10347   111.72437    60.03707
   67    64 S   HC   _H20    69     1.10186   111.73556   -59.98188
   68    62 S   CT   _C13    58     1.50043   121.36167    -4.03099
   69    68 S   HC   _H15    59     1.09684   108.85409   130.50518
   70    68 S   HC   _H16    60     1.09662   107.11126  -114.30801
   71    61 S   O3T  _O33    65     1.44224   112.76399  -140.49614
   72    54 S   CT   _C14    61     1.55824   110.96320  -170.34402
   73    72 S   HC   _H7_    62     1.09716   110.39715   -56.80892
   74    72 S   OH   _O34    63     1.43072   111.10777    60.97285
   75    74 S   HO   _H17    64     0.96820   106.25677  -175.55565
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  16   7  11   5   9
   5   4  14   5   4  17  17   6   8   3   2   1  11  12   6   5
   3   2   1   7   5   4   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    48    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    48    49    50    51    55    42    43  
   41    44    45    46    47    48    55    42    43  
   44    45    46    47    48    54    55    56    61    42    43  
   43    44    46  
    0  
   45    46    47    48    49    50    51    54    55    56    61    62    72    71    64    57  
   46    47    48    54    55    56    61  
   47    48    49    50    51    52    53    54    55    56    61  
   48    49    50    51    55  
   49    50    51    52    53    54    55    72    57  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    61    68    72    73    74    57    58    59    60  
   53    54    55    72    57  
   54    55    72    57  
   55    56    61    62    68    69    70    72    73    74    75    71    64    57    58    59    60  
   56    61    62    63    68    72    73    74    71    64    65    66    67    57    58    59    60  
   61    62    72    71    64    57  
   58    59    60    61    68    72    73    74  
   59    60    72  
   60    72  
   72  
   62    63    68    69    70    72    71    64    65    66    67  
   63    68    69    70    72    73    74    71    64    65    66    67  
   68    69    70    72    71    64  
   65    66    67    68    71  
   66    67    71  
   67    71  
   71  
   69    70    72    73    74    75    71  
   70    72    73    74    71  
   72    73    74    71  
   72  
   73    74    75  
   74    75  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    55   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    72   268.000  1.529
   54    57   268.000  1.529
   55    56   340.000  1.090
   55    61   275.000  1.510
   61    62   260.000  1.509
   61    71   335.000  1.432
   61    64   275.000  1.510
   62    63   340.000  1.088
   62    68   275.000  1.510
   62    71   335.000  1.432
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   320.000  1.410
   74    75   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    48    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    55    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    55    54    58.35000  112.70000
   44    55    56    37.50000  110.70000
   44    55    61    70.00000  112.37300
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    58.35000  112.70000
   51    54    72    58.35000  112.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    61    70.00000  112.37300
   54    72    68    58.35000  112.70000
   54    72    73    37.50000  110.70000
   54    72    74    50.00000  109.50000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   55    44    45    37.50000  110.70000
   55    44    46    58.35000  112.70000
   55    61    62    60.00000  120.94000
   55    61    71    80.00000  116.47100
   55    61    64    58.35000  112.70000
   61    55    56    45.00000  109.38400
   61    62    63    37.50000  117.20000
   61    62    68    60.00000  120.94000
   61    62    71    15.00000   60.43100
   61    71    62    15.00000   59.14900
   61    64    65    45.00000  109.38400
   61    64    66    45.00000  109.38400
   61    64    67    45.00000  109.38400
   62    68    69    45.00000  109.38400
   62    68    70    45.00000  109.38400
   62    68    72    70.00000  112.37300
   68    62    63    40.00000  115.04500
   68    72    73    37.50000  110.70000
   68    72    74    50.00000  109.50000
   70    68    69    33.00000  107.80000
   72    54    55    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    74    75    55.00000  108.50000
   74    72    73    35.00000  109.50000
   71    61    62    15.00000   60.43100
   71    62    63    50.00000  114.27700
   71    62    68    80.00000  116.47100
   64    61    62    60.00000  120.94000
   64    61    71    80.00000  116.47100
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   57    54    55    58.35000  112.70000
   57    54    72    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    48   0.46850  1.0 1.0
   33    39    46    48   0.08550 -1.0 2.0
   33    39    46    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    48    49   0.15000  1.0 3.0
   39    46    48    50   0.15000  1.0 3.0
   39    46    48    51   0.34400  1.0 1.0
   39    46    48    51   0.09450 -1.0 2.0
   39    46    48    51   0.11100  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    48   0.09850  1.0 1.0
   40    39    46    48   0.15250 -1.0 2.0
   40    39    46    48  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    55  -0.46850  1.0 1.0
   40    41    44    55   0.09300 -1.0 2.0
   40    41    44    55  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.62750  1.0 1.0
   41    44    46    48  -0.30950 -1.0 2.0
   41    44    46    48   0.27300  1.0 3.0
   41    44    55    54   0.62750  1.0 1.0
   41    44    55    54  -0.30950 -1.0 2.0
   41    44    55    54   0.27300  1.0 3.0
   41    44    55    56   0.23400  1.0 3.0
   41    44    55    61  -0.26800  1.0 1.0
   41    44    55    61   0.69150 -1.0 2.0
   41    44    55    61  -0.48750  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    51   0.56750  1.0 1.0
   44    46    48    51  -0.07550 -1.0 2.0
   44    46    48    51   0.20000  1.0 3.0
   44    55    61    62   0.07850  1.0 1.0
   44    55    61    62  -0.03950 -1.0 2.0
   44    55    61    62   0.67350  1.0 3.0
   44    55    61    71   0.02550  1.0 1.0
   44    55    61    71  -0.02600 -1.0 2.0
   44    55    61    71   1.20400  1.0 3.0
   44    55    61    64   0.56750  1.0 1.0
   44    55    61    64  -0.07550 -1.0 2.0
   44    55    61    64   0.20000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    55    54   0.15000  1.0 3.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    61   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    55    54   0.56750  1.0 1.0
   46    44    55    54  -0.07550 -1.0 2.0
   46    44    55    54   0.20000  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44    55    61   0.47050  1.0 1.0
   46    44    55    61   0.03900 -1.0 2.0
   46    44    55    61   0.20100  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48   -51    54   0.56750  1.0 1.0
   46    48   -51    54  -0.07550 -1.0 2.0
   46    48   -51    54   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    54    55   0.56750  1.0 1.0
   48    51    54    55  -0.07550 -1.0 2.0
   48    51    54    55   0.20000  1.0 3.0
   48    51    54    72   0.56750  1.0 1.0
   48    51    54    72  -0.07550 -1.0 2.0
   48    51    54    72   0.20000  1.0 3.0
   48    51    54    57   0.56750  1.0 1.0
   48    51    54    57  -0.07550 -1.0 2.0
   48    51    54    57   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54   -55    44   0.56750  1.0 1.0
   51    54   -55    44  -0.07550 -1.0 2.0
   51    54   -55    44   0.20000  1.0 3.0
   51    54    55    56   0.15000  1.0 3.0
   51    54    55    61   0.47050  1.0 1.0
   51    54    55    61   0.03900 -1.0 2.0
   51    54    55    61   0.20100  1.0 3.0
   51    54    72    68   0.56750  1.0 1.0
   51    54    72    68  -0.07550 -1.0 2.0
   51    54    72    68   0.20000  1.0 3.0
   51    54    72    73   0.15000  1.0 3.0
   51    54    72    74   0.86500  1.0 1.0
   51    54    72    74  -0.17500 -1.0 2.0
   51    54    72    74   0.20800  1.0 3.0
   51    54    57    58   0.15000  1.0 3.0
   51    54    57    59   0.15000  1.0 3.0
   51    54    57    60   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    72   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    72   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    55    61    62   0.07850  1.0 1.0
   54    55    61    62  -0.03950 -1.0 2.0
   54    55    61    62   0.67350  1.0 3.0
   54    55    61    71   0.02550  1.0 1.0
   54    55    61    71  -0.02600 -1.0 2.0
   54    55    61    71   1.20400  1.0 3.0
   54    55    61    64   0.56750  1.0 1.0
   54    55    61    64  -0.07550 -1.0 2.0
   54    55    61    64   0.20000  1.0 3.0
   54    72    74    75  -0.11600  1.0 1.0
   54    72    74    75  -0.09450 -1.0 2.0
   54    72    74    75   0.21250  1.0 3.0
   55    44    46    39   0.34400  1.0 1.0
   55    44    46    39   0.09450 -1.0 2.0
   55    44    46    39   0.11100  1.0 3.0
   55    44    46    47   0.15000  1.0 3.0
   55    44   -46    48   0.56750  1.0 1.0
   55    44   -46    48  -0.07550 -1.0 2.0
   55    44   -46    48   0.20000  1.0 3.0
   55    54    72    68   0.56750  1.0 1.0
   55    54    72    68  -0.07550 -1.0 2.0
   55    54    72    68   0.20000  1.0 3.0
   55    54    72    73   0.15000  1.0 3.0
   55    54    72    74   0.86500  1.0 1.0
   55    54    72    74  -0.17500 -1.0 2.0
   55    54    72    74   0.20800  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   55    61    62    63   0.15000  1.0 3.0
   55    61   -62    68   0.56750  1.0 1.0
   55    61   -62    68  -0.07550 -1.0 2.0
   55    61   -62    68   0.20000  1.0 3.0
   55    61   -62    71   0.02550  1.0 1.0
   55    61   -62    71  -0.02600 -1.0 2.0
   55    61   -62    71   1.20400  1.0 3.0
   55    61   -71    62   0.06250  1.0 1.0
   55    61   -71    62  -0.01100 -1.0 2.0
   55    61   -71    62   0.28050  1.0 3.0
   55    61    64    65   0.15000  1.0 3.0
   55    61    64    66   0.15000  1.0 3.0
   55    61    64    67   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    71   0.23400  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   61    62    68    69   0.15000  1.0 3.0
   61    62    68    70   0.15000  1.0 3.0
   61    62    68    72   0.07850  1.0 1.0
   61    62    68    72  -0.03950 -1.0 2.0
   61    62    68    72   0.67350  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    68   -72    54   0.47050  1.0 1.0
   62    68   -72    54   0.03900 -1.0 2.0
   62    68   -72    54   0.20100  1.0 3.0
   62    68    72    73   0.15000  1.0 3.0
   62    68    72    74   0.86500  1.0 1.0
   62    68    72    74  -0.17500 -1.0 2.0
   62    68    72    74   0.20800  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    72   0.15000  1.0 3.0
   63    62   -71    61   0.36800  1.0 3.0
   68    62   -71    61   0.06250  1.0 1.0
   68    62   -71    61  -0.01100 -1.0 2.0
   68    62   -71    61   0.28050  1.0 3.0
   68    72    74    75  -0.11600  1.0 1.0
   68    72    74    75  -0.09450 -1.0 2.0
   68    72    74    75   0.21250  1.0 3.0
   69    68    72    54   0.15000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.23400  1.0 3.0
   70    68    72    54   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.23400  1.0 3.0
   72    54    55    44   0.56750  1.0 1.0
   72    54    55    44  -0.07550 -1.0 2.0
   72    54    55    44   0.20000  1.0 3.0
   72    54    55    56   0.15000  1.0 3.0
   72    54   -55    61   0.47050  1.0 1.0
   72    54   -55    61   0.03900 -1.0 2.0
   72    54   -55    61   0.20100  1.0 3.0
   72    54    57    58   0.15000  1.0 3.0
   72    54    57    59   0.15000  1.0 3.0
   72    54    57    60   0.15000  1.0 3.0
   73    72    74    75   0.19450  1.0 3.0
   71    61   -62    63   0.23400  1.0 3.0
   71    61   -62    68   0.02550  1.0 1.0
   71    61   -62    68  -0.02600 -1.0 2.0
   71    61   -62    68   1.20400  1.0 3.0
   71    61    64    65   0.23400  1.0 3.0
   71    61    64    66   0.23400  1.0 3.0
   71    61    64    67   0.23400  1.0 3.0
   71    62    68    69   0.23400  1.0 3.0
   71    62    68    70   0.23400  1.0 3.0
   71    62    68    72   0.02550  1.0 1.0
   71    62    68    72  -0.02600 -1.0 2.0
   71    62    68    72   1.20400  1.0 3.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61   -62    71   0.02550  1.0 1.0
   64    61   -62    71  -0.02600 -1.0 2.0
   64    61   -62    71   1.20400  1.0 3.0
   64    61   -71    62   0.06250  1.0 1.0
   64    61   -71    62  -0.01100 -1.0 2.0
   64    61   -71    62   0.28050  1.0 3.0
   57    54    55    44   0.56750  1.0 1.0
   57    54    55    44  -0.07550 -1.0 2.0
   57    54    55    44   0.20000  1.0 3.0
   57    54    55    56   0.15000  1.0 3.0
   57    54    55    61   0.47050  1.0 1.0
   57    54    55    61   0.03900 -1.0 2.0
   57    54    55    61   0.20100  1.0 3.0
   57    54    72    68   0.56750  1.0 1.0
   57    54    72    68  -0.07550 -1.0 2.0
   57    54    72    68   0.20000  1.0 3.0
   57    54    72    73   0.15000  1.0 3.0
   57    54    72    74   0.86500  1.0 1.0
   57    54    72    74  -0.17500 -1.0 2.0
   57    54    72    74   0.20800  1.0 3.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
