* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    139    208     412
    1     0 S   NP   _N1_     1    28.90486    94.77613   -20.33716
    2     1 S   H    _HN1     2     1.02781    85.51259   -72.20158
    3     1 S   H    _H1_     3     1.02953    92.58284    35.93805
    4     1 S   H    _H2_     4     1.02836    32.85810   154.27754
    5     1 S   CT   _CA1     5     1.50131   143.20845   166.05022
    6     5 S   HC   _HA1     6     1.09583   105.22541    52.63714
    7     5 S   CO3  _C1_     7     1.53803   112.05884   -67.42051
    8     7 S   O2Z  _O11     8     1.26366   115.05742   -51.43142
    9     7 S   O2Z  _O12     9     1.26238   114.94479   127.50162
   10     5 S   CT   _CB1    10     1.53103   107.34702   170.31247
   11    10 S   HC   HB11    11     1.09822   109.35488   -51.16798
   12    10 S   HC   HB12    12     1.09811   110.52705    65.42502
   13    10 S   CT   _CG1    13     1.52934   112.52034  -172.22035
   14    13 S   HC   HG11    14     1.09537   110.33898   -62.72023
   15    13 S   HC   HG12    15     1.09641   109.97377    56.38547
   16    13 S   C    _CD1    16     1.51852   112.35488   176.65227
   17    16 S   O    _OE1    17     1.22736   123.21218    -5.46235
   18    16 S   N    _N2_    18     1.38498   111.59988   175.05070
   19    18 S   H    _HN2    19     1.01964   118.62912     2.42616
   20    18 S   CT1  _CA2    20     1.46082   123.81235  -180.00000
   21    20 S   HC   _HA2    21     1.09756   109.00161   -18.80778
   22    20 S   C    _C2_    22     1.53619   108.74488  -134.11222
   23    22 S   O    _O2_    23     1.23059   122.14689  -150.33063
   24    20 S   CT   _CB2    32     1.53573   111.72956   103.38485
   25    24 S   HC   HB21    33     1.09531   110.15474    50.57505
   26    24 S   HC   HB22    34     1.09492   110.16240   169.67475
   27    22 S   N    _N3_    24     1.38456   113.52647    37.60566
   28    27 S   H    _HN3    25     1.01518   118.89212    -2.96478
   29    24 S   S    _SG2    35     1.82801   111.97183   -71.13256
   30    27 S   CT   _CA3    26     1.45406   123.49318   175.24770
   31    30 S   HC   HA31    27     1.09528   109.17494    25.04985
   32    30 S   HC   HA32    28     1.09498   107.12005   141.97679
   33    29 S   CT   _C12    36     1.82905    99.54366  -175.32370
   34    33 S   HC   _H15    37     1.09466   108.67966    42.52276
   35    33 S   HC   _H16    38     1.09544   106.08846   158.29893
   36    30 S   CO3  _C3_    29     1.52938   113.19463   -98.42508
   37    36 S   O2Z  _O31    30     1.26416   115.50005   -43.92569
   38    36 S   O2Z  _O32    31     1.26387   114.99430   137.02151
   39    33 S   CT   _C11    39     1.53474   112.27764   -81.27746
   40    39 S   HC   _H6_    40     1.09677   110.01246    48.52368
   41    39 S   CT   _C10    41     1.53796   111.03783   169.62900
   42    41 S   HC   _H5_    42     1.09692   108.68845   -62.01555
   43    41 S   CT   _C9_    43     1.52524   111.70804   176.60074
   44    43 S   HC   _H4_    44     1.09594   110.27391  -166.19743
   45    41 S   OH   _O35    75     1.42798   109.71724    55.32601
   46    45 S   HO   _H17    76     0.97276   107.73490  -174.10592
   47    43 S   CO4  _C8_    45     1.51620   111.10320   -45.71734
   48    47 S   O    _O33    46     1.23307   120.73847  -148.33270
   49    43 S   OH   _O36    73     1.41822   109.78972    73.70479
   50    49 S   HO   _H18    74     0.97317   107.42883   174.03655
   51    47 S   CO   _C7_    47     1.52301   117.73402    37.66692
   52    51 S   HC   _H3_    48     1.09672   106.63514  -155.98756
   53    39 S   OS   _O34    49     1.43357   107.64362   -70.82761
   54    51 S   NT   _N4_    50     1.46501   107.38786    86.77691
   55    54 S   H    _H14    51     1.02041   109.22986    55.53823
   56    54 S   CT   _C6_    52     1.46321   111.92294   176.15768
   57    56 S   HC   _H12    53     1.09642   110.05536   -60.29429
   58    56 S   HC   _H13    54     1.09570   110.75035    58.71922
   59    56 S   CT   _C5_    55     1.53135   110.82371   179.36020
   60    59 S   HC   _H10    56     1.09560   108.16027   177.15972
   61    59 S   HC   _H11    57     1.09728   109.91417    61.06289
   62    59 S   CT   _C4_    58     1.53315   112.86322   -61.66550
   63    62 S   HC   _H8_    59     1.09506   109.30334    64.97559
   64    62 S   HC   _H9_    60     1.09562   109.31705   -52.02581
   65    62 S   CT   _C13    61     1.53376   111.07627  -173.53917
   66    65 S   HC   _H19    62     1.09790   109.09648   -56.98779
   67    65 S   HC   _H20    63     1.09737   108.83193    58.30153
   68    65 S   CT   _C14    64     1.53294   114.30196  -179.50703
   69    68 S   HC   _H7_    65     1.09699   108.22275   179.18699
   70    68 S   CO3  _C15    66     1.54097   114.84852   -62.43685
   71    70 S   O2Z  _O38    67     1.26441   114.65612   145.54863
   72    70 S   O2Z  _O37    68     1.26183   115.84879   -34.99669
   73    68 S   NP   _N5_    69     1.50084   108.85183    66.29156
   74    73 S   H    _H21    70     1.02798   111.45582   -67.82379
   75    73 S   H    _H22    71     1.02928   109.75549   174.54127
   76    73 S   H    _H23    72     1.02754   112.34116    54.23860
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  13   6  11   7  11   6   4   1   9   5
   2   1   8   4   3   8   4   9   5   4   9   5   4   9   5   4
  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    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    41    53  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    51    53    45  
   35    39    40    41    53  
   39    40    41    53  
   37    38  
   38  
    0  
   40    41    42    43    44    47    51    52    53    54    49    45    46  
   41    42    43    51    53    45  
   42    43    44    47    48    51    53    49    50    45    46  
   43    44    47    53    49    45    46  
   44    47    48    51    52    53    54    49    50    45    46  
   47    48    51    49    50    45  
   46    47    49    53  
    0  
   48    51    52    53    54    55    56    49    50  
   51    52    53    54    49  
   50    51  
    0  
   52    53    54    55    56    57    58    59  
   53    54    55    56  
   54    55    56  
   55    56    57    58    59    60    61    62  
   56    57    58    59  
   57    58    59    60    61    62    63    64    65  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65    66    67    68  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    69    70    73  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    72    73    74    75    76  
   67    68    69    70    73  
   68    69    70    73  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.3000   0.1700  -0.700000   1.8650   1.6500   0.051222218  -2.220205820
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   71   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   72   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   73   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   74   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   76   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    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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    53   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   317.000  1.522
   43    49   320.000  1.410
   47    48   570.000  1.229
   47    51   235.000  1.518
   51    52   340.000  1.090
   51    53   320.000  1.380
   51    54   340.000  1.430
   54    55   434.000  1.010
   54    56   382.000  1.448
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.522
   68    73   367.000  1.471
   70    71   656.000  1.250
   70    72   656.000  1.250
   73    74   434.000  1.010
   73    75   434.000  1.010
   73    76   434.000  1.010
   49    50   553.000  0.945
   45    46   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    53    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    53    51    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    63.00000  111.10000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    80.00000  120.40000
   43    47    51    70.00000  116.00000
   43    49    50    55.00000  108.50000
   47    43    44    35.00000  109.50000
   47    51    52    40.00000  111.14000
   47    51    53    90.00000  107.81500
   47    51    54    75.00000  112.82000
   51    47    48    75.00000  120.68000
   51    54    55    50.00000  111.27700
   51    54    56    80.00000  111.82000
   53    39    40    35.00000  109.50000
   53    39    41    50.00000  109.50000
   53    51    52    35.00000  109.50000
   54    51    52    50.00000  110.45300
   54    51    53   100.00000  112.06800
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    59    56.20000  109.47000
   56    54    55    35.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    70.00000  109.69300
   65    68    73    80.00000  111.20000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    70.00000  117.00000
   68    70    72    70.00000  117.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   70    68    69    35.00000  109.50000
   72    70    71    80.00000  126.00000
   73    68    69    35.00000  109.50000
   73    68    70    80.00000  109.26000
   75    73    74    35.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  109.61100
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  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    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    53   0.56750  1.0 1.0
   29    33    39    53  -0.07550 -1.0 2.0
   29    33    39    53   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    53    51   0.06250  1.0 1.0
   33    39    53    51  -0.01100 -1.0 2.0
   33    39    53    51   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    53   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    53   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47  -0.95700  1.0 1.0
   39    41    43    47  -0.18200 -1.0 2.0
   39    41    43    47   0.29450  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    53    51   0.37050  1.0 3.0
   41    39    53    51   0.06250  1.0 1.0
   41    39    53    51  -0.01100 -1.0 2.0
   41    39    53    51   0.28050  1.0 3.0
   41    43    47    48   0.30150 -1.0 2.0
   41    43   -47    51   0.60050  1.0 1.0
   41    43   -47    51   0.05600 -1.0 2.0
   41    43   -47    51   0.26150  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47  -0.11250  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    53   0.55300  1.0 1.0
   43    47    51    53   1.25850 -1.0 2.0
   43    47    51    53  -0.23600  1.0 3.0
   43    47    51    54  -0.05600  1.0 1.0
   43    47    51    54   0.24350 -1.0 2.0
   43    47    51    54   1.01150  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    51   0.00000  1.0 1.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50   0.91850  1.0 1.0
   47    43    49    50   0.57950  1.0 3.0
   47    51   -53    39  -1.11000  1.0 1.0
   47    51   -53    39   0.50250 -1.0 2.0
   47    51   -53    39   0.47450  1.0 3.0
   47    51    54    55   0.21900  1.0 1.0
   47    51    54    55  -0.24900 -1.0 2.0
   47    51    54    55   0.15200  1.0 3.0
   47    51    54    56  -1.76800  1.0 1.0
   47    51    54    56   1.02600 -1.0 2.0
   47    51    54    56   0.19700  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.30150 -1.0 2.0
   48    47    51    54   0.30150 -1.0 2.0
   51    54    56    57   0.10550  1.0 3.0
   51    54    56    58   0.10550  1.0 3.0
   51    54    56    59   0.23450  1.0 1.0
   51    54    56    59   0.02050 -1.0 2.0
   51    54    56    59   0.25250  1.0 3.0
   52    51    53    39   0.37050  1.0 3.0
   52    51    54    55   0.20000  1.0 3.0
   52    51    54    56   0.28000  1.0 3.0
   53    39    41    42   0.23400  1.0 3.0
   53    39   -41    43   0.62750  1.0 1.0
   53    39   -41    43  -0.30950 -1.0 2.0
   53    39   -41    43   0.27300  1.0 3.0
   53    39    41    45   3.69350  1.0 1.0
   53    39    41    45  -1.82950 -1.0 2.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    56   1.00600  1.0 1.0
   53    51    54    56  -1.41450 -1.0 2.0
   53    51    54    56   0.25150  1.0 3.0
   54    51    53    39  -1.02450  1.0 1.0
   54    51    53    39  -0.46500 -1.0 2.0
   54    51    53    39   0.47400  1.0 3.0
   54    56    59    60   0.15000  1.0 3.0
   54    56    59    61   0.15000  1.0 3.0
   54    56    59    62   1.53400  1.0 1.0
   54    56    59    62  -0.09950 -1.0 2.0
   54    56    59    62   0.05700  1.0 3.0
   55    54    56    57   0.20000  1.0 3.0
   55    54    56    58   0.20000  1.0 3.0
   55    54    56    59  -0.05950  1.0 1.0
   55    54    56    59   0.08850 -1.0 2.0
   55    54    56    59   0.11750  1.0 3.0
   56    59    62    63   0.15000  1.0 3.0
   56    59    62    64   0.15000  1.0 3.0
   56    59    62    65   0.56750  1.0 1.0
   56    59    62    65  -0.07550 -1.0 2.0
   56    59    62    65   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.15000  1.0 3.0
   59    62    65    68   0.56750  1.0 1.0
   59    62    65    68  -0.07550 -1.0 2.0
   59    62    65    68   0.20000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70  -1.63150  1.0 1.0
   62    65    68    70  -0.43550 -1.0 2.0
   62    65    68    70   0.24500  1.0 3.0
   62    65    68    73   1.36600  1.0 1.0
   62    65    68    73  -0.11450 -1.0 2.0
   62    65    68    73   0.24250  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    70    71   0.41150 -1.0 2.0
   65    68    70    72   0.41150 -1.0 2.0
   65    68    73    74   0.17350  1.0 3.0
   65    68    73    75   0.17350  1.0 3.0
   65    68    73    76   0.17350  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70  -0.11250  1.0 3.0
   66    65    68    73   0.19200  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70  -0.11250  1.0 3.0
   67    65    68    73   0.19200  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    73    74   0.13050  1.0 3.0
   69    68    73    75   0.13050  1.0 3.0
   69    68    73    76   0.13050  1.0 3.0
   70    68    73    74   0.17350  1.0 3.0
   70    68    73    75   0.17350  1.0 3.0
   70    68    73    76   0.17350  1.0 3.0
   73    68    70    71   0.30150 -1.0 2.0
   73    68    70    72   0.30150 -1.0 2.0
   49    43    47    48   0.30150 -1.0 2.0
   49    43    47    51   0.55300  1.0 1.0
   49    43    47    51   1.25850 -1.0 2.0
   49    43    47    51  -0.23600  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47  -0.09450  1.0 1.0
   45    41    43    47  -1.12950 -1.0 2.0
   45    41    43    47   0.54000  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
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
   43    51    47    48  10.50000 -1.0 2.0
   71    68    70    72  10.50000 -1.0 2.0
END
