* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    141    205     413
    1     0 S   NP   _N1_     1    28.16825    97.86419   -22.01288
    2     1 S   H    _HN1     2     1.02778   103.42650  -111.64688
    3     1 S   H    _H1_     3     1.02959    68.68790    -6.93146
    4     1 S   H    _H2_     4     1.02836    42.41897   146.40993
    5     1 S   CT   _CA1     5     1.50134   141.84759    89.31860
    6     5 S   HC   _HA1     6     1.09577   105.20803    96.46331
    7     5 S   CO3  _C1_     7     1.53784   112.33867   -23.70737
    8     7 S   O2Z  _O11     8     1.26367   114.99547   -44.35965
    9     7 S   O2Z  _O12     9     1.26235   114.92985   134.68116
   10     5 S   CT   _CB1    10     1.53095   107.41388  -145.65276
   11    10 S   HC   HB11    11     1.09829   109.31518   -50.54727
   12    10 S   HC   HB12    12     1.09816   110.44148    66.00474
   13    10 S   CT   _CG1    13     1.53019   112.67255  -171.61243
   14    13 S   HC   HG11    14     1.09595   110.49622   -64.69160
   15    13 S   HC   HG12    15     1.09658   109.90889    54.50486
   16    13 S   C    _CD1    16     1.51847   112.30171   174.86115
   17    16 S   O    _OE1    17     1.22757   123.27997     0.89613
   18    16 S   N    _N2_    18     1.38543   111.71628  -179.05540
   19    18 S   H    _HN2    19     1.01558   119.09307     4.07761
   20    18 S   CT1  _CA2    20     1.45877   122.89880   177.97406
   21    20 S   HC   _HA2    21     1.09731   108.89459    25.14914
   22    20 S   C    _C2_    22     1.52927   106.84347   -91.90600
   23    22 S   O    _O2_    23     1.22996   123.01030   -28.62494
   24    20 S   CT   _CB2    32     1.53359   112.25004   148.36727
   25    24 S   HC   HB21    33     1.09393   109.35838    53.91034
   26    24 S   HC   HB22    34     1.09356   109.63353   172.56610
   27    22 S   N    _N3_    24     1.38501   112.63187   153.93971
   28    27 S   H    _HN3    25     1.01660   120.36786    -1.25211
   29    24 S   S    _SG2    35     1.82836   110.51187   -66.41471
   30    27 S   CT   _CA3    26     1.45353   122.40479   178.74352
   31    30 S   HC   HA31    27     1.09565   107.59615   -61.06141
   32    30 S   HC   HA32    28     1.09572   107.79841    55.23728
   33    29 S   CT   _C6_    36     1.87444   102.67276  -172.69862
   34    33 S   OM   _O33    37     1.32044   106.26194  -175.57198
   35    30 S   CO3  _C3_    29     1.52877   114.41573   177.24544
   36    35 S   O2Z  _O31    30     1.26324   116.09598     1.76835
   37    35 S   O2Z  _O32    31     1.26452   114.39242  -178.22095
   38    33 S   CT   _C5_    38     1.56584   114.39458   -55.91739
   39    38 S   HC   _H3_    39     1.09881   110.05063  -167.80001
   40    33 S   S    _S1_    46     1.87490   107.07267    68.79761
   41    38 S   CT   _C4_    40     1.53332   116.01537   -47.37264
   42    41 S   HC   _H4_    41     1.09409   112.14011    67.31528
   43    41 S   HC   _H5_    42     1.09640   109.65280  -175.56032
   44    41 S   HC   _H6_    43     1.09380   112.07031   -55.72718
   45    38 S   OH   _O40    44     1.43239   111.71513    75.21794
   46    45 S   HO   _H22    45     0.97294   106.99457    47.45357
   47    40 S   CT   _C7_    47     1.83648   102.14981   175.09791
   48    47 S   HC   _H7_    48     1.09275   108.93274    54.72533
   49    47 S   HC   _H8_    49     1.09464   108.53830   -63.05178
   50    47 S   CT1  _C8_    50     1.53754   112.47098   175.92552
   51    50 S   HC   _H9_    51     1.09792   108.21995   179.34628
   52    50 S   C    _C9_    52     1.53076   112.70793   -62.03878
   53    52 S   O    _O34    53     1.22993   122.85896   111.39572
   54    50 S   N    _N5_    62     1.45786   112.50991    61.18862
   55    54 S   H    _H13    63     1.01632   117.50126   -96.05638
   56    52 S   N    _N4_    54     1.38435   112.80765   -68.08735
   57    56 S   H    _H10    55     1.01638   120.43358    -1.93006
   58    54 S   C    _C12    64     1.38481   122.97671    81.60266
   59    58 S   O    _O37    65     1.22755   124.84277     1.02029
   60    56 S   CT   _C10    56     1.45333   122.46888   178.65375
   61    60 S   HC   _H11    57     1.09572   107.66966   -58.16518
   62    60 S   HC   _H12    58     1.09563   107.75343    58.19227
   63    58 S   CT   _C13    66     1.51910   111.77354  -179.69868
   64    63 S   HC   _H14    67     1.09587   108.04506    57.13448
   65    63 S   HC   _H15    68     1.09564   107.46902   -59.17564
   66    60 S   CO3  _C11    59     1.52882   114.27746  -180.00000
   67    66 S   O2Z  _O36    60     1.26338   116.05460    -1.62739
   68    66 S   O2Z  _O35    61     1.26432   114.41782   178.46176
   69    63 S   CT   _C14    69     1.53113   112.18333   179.06142
   70    69 S   HC   _H16    70     1.09837   109.14400    57.48757
   71    69 S   HC   _H17    71     1.09788   108.91418   -57.32785
   72    69 S   CT   _C15    72     1.53235   114.43456  -179.93744
   73    72 S   HC   _H18    73     1.09706   108.21925  -178.38093
   74    72 S   CO3  _C16    74     1.54124   114.67567    63.38416
   75    74 S   O2Z  _O39    75     1.26159   115.75965    38.63490
   76    74 S   O2Z  _O38    76     1.26478   114.65197  -142.30321
   77    72 S   NP   _N6_    77     1.50071   108.92474   -65.48985
   78    77 S   H    _H19    78     1.02795   111.47207    68.39158
   79    77 S   H    _H20    79     1.02760   112.41611   -53.82667
   80    77 S   H    _H21    80     1.02931   109.74025  -174.08576
  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   8   5   4   3
  14   6   2   1   1   9   7   9   5   3   2   1   1   1  10   5
   4  11   6  10   4   8   3   7   4   8   4   5   4   3   9   5
   4   2   1   1  11   5   4   8   7   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    45    40    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    44    45    46    40    47    48    49    50  
   38    39    41    45    40    47  
   36    37  
   37  
    0  
   39    41    42    43    44    45    46    40    47  
   41    42    43    44    45    46    40  
   47    48    49    50    51    52    54    41    45  
   42    43    44    45    46  
   43    44    45  
   44    45  
   45  
   46  
    0  
   48    49    50    51    52    53    56    54    55    58  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    56    57    60    54    55    58    59    63  
   52    53    56    54    55    58  
   53    56    57    60    61    62    66    54    55    58  
   56    57    60    54  
   55    58    59    63    64    65    69    56  
   58    59    63  
   57    60    61    62    66    67    68  
   60    61    62    66  
   59    63    64    65    69    70    71    72  
   63    64    65    69  
   61    62    66    67    68  
   62    66    67    68  
   66    67    68  
   64    65    69    70    71    72    73    74    77  
   65    69    70    71    72  
   69    70    71    72  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    77    78    79    80  
   71    72    73    74    77  
   72    73    74    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.005000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   75   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   76   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   77   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   78   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   222.000  1.810
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    45   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   553.000  0.945
   40    47   222.000  1.810
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   337.000  1.449
   52    53   570.000  1.229
   52    56   490.000  1.335
   56    57   434.000  1.010
   56    60   337.000  1.449
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.522
   66    67   656.000  1.250
   66    68   656.000  1.250
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   317.000  1.522
   72    77   367.000  1.471
   74    75   656.000  1.250
   74    76   656.000  1.250
   77    78   434.000  1.010
   77    79   434.000  1.010
   77    80   434.000  1.010
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  111.63000
   29    33    40    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    45    50.00000  109.50000
   33    40    47    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    37.50000  110.70000
   38    45    46    55.00000  108.50000
   41    38    39    37.50000  110.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    41    50.00000  109.50000
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  111.63000
   40    47    48    35.00000  109.50000
   40    47    49    35.00000  109.50000
   40    47    50    75.00000  108.68000
   47    50    51    37.50000  110.70000
   47    50    52    63.00000  111.10000
   47    50    54    80.00000  109.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    80.00000  120.40000
   50    52    56    70.00000  116.60000
   50    54    55    38.00000  118.40000
   50    54    58    50.00000  121.90000
   52    50    51    35.00000  109.50000
   52    56    57    35.00000  119.80000
   52    56    60    50.00000  121.90000
   56    52    53    80.00000  122.90000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    63.00000  110.10000
   60    56    57    38.00000  118.40000
   60    66    67    70.00000  117.00000
   60    66    68    70.00000  117.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   68    66    67    80.00000  126.00000
   54    50    51    35.00000  109.50000
   54    50    52    63.00000  110.10000
   54    58    59    80.00000  122.90000
   54    58    63    70.00000  116.60000
   58    54    55    35.00000  119.80000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    63.00000  111.10000
   63    58    59    80.00000  120.40000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    70.00000  109.69300
   69    72    77    80.00000  111.20000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    70.00000  117.00000
   72    74    76    70.00000  117.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   74    72    73    35.00000  109.50000
   76    74    75    80.00000  126.00000
   77    72    73    35.00000  109.50000
   77    72    74    80.00000  109.26000
   79    77    78    35.00000  109.50000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    47   0.08500  1.0 1.0
   29    33    40    47  -0.53150 -1.0 2.0
   29    33    40    47   0.48050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.15000  1.0 3.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    47    48   0.32350  1.0 3.0
   33    40    47    49   0.32350  1.0 3.0
   33    40    47    50   0.01700  1.0 1.0
   33    40    47    50  -0.23550 -1.0 2.0
   33    40    47    50   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    45   3.69350  1.0 1.0
   34    33    38    45  -1.82950 -1.0 2.0
   34    33    40    47   0.13850  1.0 1.0
   34    33    40    47  -1.34450 -1.0 2.0
   34    33    40    47   0.57400  1.0 3.0
   38    33    40    47   0.01700  1.0 1.0
   38    33    40    47  -0.23550 -1.0 2.0
   38    33    40    47   0.21350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    45    46   0.19450  1.0 3.0
   41    38    45    46  -0.11600  1.0 1.0
   41    38    45    46  -0.09450 -1.0 2.0
   41    38    45    46   0.21250  1.0 3.0
   45    38    41    42   0.23400  1.0 3.0
   45    38    41    43   0.23400  1.0 3.0
   45    38    41    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.44750  1.0 1.0
   40    33    38    41  -0.17800 -1.0 2.0
   40    33    38    41   0.20200  1.0 3.0
   40    33    38    45   0.56750  1.0 1.0
   40    33    38    45  -0.07550 -1.0 2.0
   40    33    38    45   0.20000  1.0 3.0
   40    47    50    51   0.15000  1.0 3.0
   40    47    50    52  -2.17200  1.0 1.0
   40    47    50    52  -0.85700 -1.0 2.0
   40    47    50    54   0.71400  1.0 1.0
   40    47    50    54   0.04300 -1.0 2.0
   40    47    50    54   0.01450  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    56   0.93250  1.0 1.0
   47    50    52    56   0.04450 -1.0 2.0
   47    50    52    56   0.17550  1.0 3.0
   47    50    54    55   0.00000  1.0 1.0
   47    50    54    58   0.25950  1.0 1.0
   47    50    54    58   0.43850 -1.0 2.0
   47    50    54    58   2.61650  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52  -0.03800  1.0 3.0
   48    47    50    54   0.23200  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52  -0.03800  1.0 3.0
   49    47    50    54   0.23200  1.0 3.0
   50    52    56    57   2.45000 -1.0 2.0
   50    52    56    60   1.15000  1.0 1.0
   50    52    56    60   3.04450 -1.0 2.0
   50    54    58    59   3.04450 -1.0 2.0
   50    54    58    63   1.15000  1.0 1.0
   50    54    58    63   3.04450 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    58   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    58  -0.29800  1.0 1.0
   52    50    54    58   0.13950 -1.0 2.0
   52    50    54    58  -2.45650  1.0 3.0
   52    56    60    61   0.00000  1.0 1.0
   52    56    60    62   0.00000  1.0 1.0
   52    56    60    66  -0.29800  1.0 1.0
   52    56    60    66   0.13950 -1.0 2.0
   52    56    60    66  -2.45650  1.0 3.0
   53    52    56    57   2.45000 -1.0 2.0
   53    52    56    60   3.04450 -1.0 2.0
   56    60    66    67   0.00000  1.0 1.0
   56    60    66    68   0.00000  1.0 1.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    66   0.00000  1.0 1.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    68   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    68   0.00000  1.0 1.0
   54    50    52    53   0.00000  1.0 1.0
   54    50    52    56   0.37150  1.0 1.0
   54    50    52    56   1.25400 -1.0 2.0
   54    50    52    56  -0.40250  1.0 3.0
   54    58    63    64   0.00000  1.0 1.0
   54    58    63    65   0.00000  1.0 1.0
   54    58    63    69   1.39750  1.0 1.0
   54    58    63    69  -0.07950 -1.0 2.0
   54    58    63    69  -0.18750  1.0 3.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    63   2.45000 -1.0 2.0
   58    63    69    70  -0.11250  1.0 3.0
   58    63    69    71  -0.11250  1.0 3.0
   58    63    69    72  -0.95700  1.0 1.0
   58    63    69    72  -0.18200 -1.0 2.0
   58    63    69    72   0.29450  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    69   0.30150 -1.0 2.0
   63    69    72    73   0.15000  1.0 3.0
   63    69    72    74  -1.63150  1.0 1.0
   63    69    72    74  -0.43550 -1.0 2.0
   63    69    72    74   0.24500  1.0 3.0
   63    69    72    77   1.36600  1.0 1.0
   63    69    72    77  -0.11450 -1.0 2.0
   63    69    72    77   0.24250  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    72   0.15000  1.0 3.0
   69    72    74    75   0.41150 -1.0 2.0
   69    72    74    76   0.41150 -1.0 2.0
   69    72    77    78   0.17350  1.0 3.0
   69    72    77    79   0.17350  1.0 3.0
   69    72    77    80   0.17350  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    77   0.19200  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74  -0.11250  1.0 3.0
   71    69    72    77   0.19200  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    77    78   0.13050  1.0 3.0
   73    72    77    79   0.13050  1.0 3.0
   73    72    77    80   0.13050  1.0 3.0
   74    72    77    78   0.17350  1.0 3.0
   74    72    77    79   0.17350  1.0 3.0
   74    72    77    80   0.17350  1.0 3.0
   77    72    74    75   0.30150 -1.0 2.0
   77    72    74    76   0.30150 -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
   50    56    52    53  10.50000 -1.0 2.0
   57    52    56    60   1.00000 -1.0 2.0
   67    60    66    68  10.50000 -1.0 2.0
   55    58    54    50   1.00000 -1.0 2.0
   54    63    58    59  10.50000 -1.0 2.0
   75    72    74    76  10.50000 -1.0 2.0
END
