* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    124    190     358
    1     0 S   NP   _N1_     1    31.16596   100.08476   -22.52387
    2     1 S   H    _HN1     2     1.03422   108.82920   -66.79658
    3     1 S   H    _H1_     3     1.02773     0.68813  -101.15714
    4     1 S   H    _H2_     4     1.02875   107.92001   177.63074
    5     1 S   CT   _CA1     5     1.50177   111.33804    56.03735
    6     5 S   HC   _HA1     6     1.09510   104.53958  -175.61251
    7     5 S   CO3  _C1_     7     1.54222   111.04741    67.78218
    8     7 S   O2Z  _O11     8     1.26073   116.33600  -101.61349
    9     7 S   O2Z  _O12     9     1.26493   114.15409    77.03244
   10     5 S   CT   _CB1    10     1.53422   107.18494   -58.84044
   11    10 S   HC   HB11    11     1.09796   110.00989   -42.69174
   12    10 S   HC   HB12    12     1.09744   109.53871    73.60171
   13    10 S   CT   _CG1    13     1.53242   113.10400  -165.26124
   14    13 S   HC   HG11    14     1.09682   109.45861  -154.34715
   15    13 S   HC   HG12    15     1.09467   112.25585   -36.03871
   16    13 S   C    _CD1    16     1.51564   110.73451    88.29159
   17    16 S   O    _OE1    17     1.22898   121.43484    83.30353
   18    16 S   N    _N2_    18     1.38230   113.49907   -94.71656
   19    18 S   H    _HN2    19     1.01566   119.22771    -0.29936
   20    18 S   CT1  _CA2    20     1.46403   123.17577   176.27101
   21    20 S   HC   _HA2    21     1.09743   109.68133     2.01790
   22    20 S   C    _C2_    22     1.53292   107.56439  -113.40580
   23    22 S   O    _O2_    23     1.22991   122.56819  -135.67758
   24    20 S   CT   _CB2    32     1.53204   111.38840   124.25846
   25    24 S   HC   HB21    33     1.09439   109.49923    54.64973
   26    24 S   HC   HB22    34     1.09506   110.79709   173.33232
   27    22 S   N    _N3_    24     1.38501   113.31688    50.69224
   28    27 S   H    _HN3    25     1.01595   119.61601    -1.13574
   29    24 S   S    _SG2    35     1.82887   110.89646   -67.46317
   30    27 S   CT   _CA3    26     1.45336   122.83755   177.12526
   31    30 S   HC   HA31    27     1.09546   107.34566   -68.81928
   32    30 S   HC   HA32    28     1.09566   108.10954    47.56408
   33    29 S   CT   _C16    36     1.83537    99.97951   156.36776
   34    33 S   HC   _H3_    37     1.09469   107.22458    52.71281
   35    30 S   CO3  _C3_    29     1.52837   114.37422   169.77730
   36    35 S   O2Z  _O31    30     1.26428   116.18020     1.49200
   37    35 S   O2Z  _O32    31     1.26364   114.55198  -177.90128
   38    33 S   CO4  _C15    38     1.50947   109.68197   -65.91925
   39    38 S   O    _O35    39     1.22608   121.52122   116.97956
   40    38 S   CA   _C10    40     1.48967   116.77529   -66.33294
   41    40 S   CA   _C11    41     1.42700   122.01474   147.91583
   42    40 S   CA   _C9_    53     1.40473   116.77537   -31.40481
   43    41 S   CA   _C12    42     1.41827   124.39402    -3.38038
   44    43 S   HA   _H10    43     1.08660   121.31551    -1.05369
   45    42 S   CO4  _C18    54     1.49012   121.79471     2.81633
   46    45 S   O    _O36    55     1.22829   119.93576   178.15517
   47    43 S   CA   _C13    44     1.39555   122.33450   179.35959
   48    47 S   HA   _H11    45     1.08648   119.38608  -179.04530
   49    33 S   CT   _C17    56     1.52855   113.71500   174.54936
   50    49 S   HC   _H4_    57     1.09994   109.84265  -178.07461
   51    47 S   CA   _C14    46     1.38499   119.61746     0.88669
   52    49 S   OS   _O37    58     1.42426   112.45169   -56.37688
   53    51 S   CA   _C5_    47     1.39475   119.96968     1.39970
   54    52 S   CT   _C19    59     1.42085   113.46579   -81.31250
   55    54 S   HC   _H13    60     1.09341   108.18371  -178.58528
   56    54 S   HC   _H14    61     1.09318   111.04525    62.66491
   57    54 S   HC   _H15    62     1.09418   110.56710   -60.00050
   58    51 S   OH   _O34    68     1.36649   120.10559  -178.67278
   59    58 S   HO   _H12    69     0.97306   108.55352   -12.26636
   60    41 S   CA   _C6_    48     1.42107   118.26672   178.14396
   61    53 S   OS   _O33    63     1.37691   119.76698  -179.83807
   62    60 S   CA   _C7_    49     1.40922   119.08724     0.69717
   63    62 S   HA   _H8_    50     1.08890   120.55432   179.98022
   64    61 S   CT   _C4_    64     1.42941   110.70999   -77.99751
   65    64 S   HC   _H5_    65     1.09416   107.67894  -161.94238
   66    64 S   HC   _H6_    66     1.09393   110.73414    80.38155
   67    64 S   HC   _H7_    67     1.09631   112.11423   -43.37579
   68    62 S   CA   _C8_    51     1.39267   121.77529     1.18647
   69    68 S   HA   _H9_    52     1.08710   118.67222   178.60773
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4  13  13  11   8   4   8   4   7   3
   7   2   7   4  11   3   2   1   1   3   1   6   5   3   2   3
   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    49    50    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    49    50    52    54  
   38    39    40    45    49    50    52  
   36    37  
   37  
    0  
   39    40    41    43    60    68    42    45    49    50    52  
   40    41    42    49  
   41    43    44    47    53    60    62    68    69    42    45    46    49  
   43    44    47    48    51    53    60    62    63    68    42    45    61  
   45    46    49    50    52    43    60    62    63    68    69  
   44    47    48    51    53    60    62    58  
   47    48    51    60  
   46    49    50    52    54    62    68    69  
   49    50    52    68  
   48    51    53    60    61    58    59  
   51    53    58  
   50    52    54    55    56    57    68  
   52    54  
   53    60    62    61    64    58    59  
   54    55    56    57  
   60    62    63    68    61    64    65    66    67    58    59  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61  
    0  
   62    63    68    69    61    64  
   64    65    66    67    62  
   63    68    69  
   68    69  
   65    66    67  
   66    67  
   67  
    0  
   69  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    42   469.000  1.400
   41    43   469.000  1.400
   41    60   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    58   450.000  1.364
   53    60   469.000  1.400
   53    61   450.000  1.364
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    68   469.000  1.400
   68    69   367.000  1.080
   68    42   469.000  1.400
   42    45   310.000  1.470
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    52   320.000  1.410
   52    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   58    59   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    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    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    45    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    42    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    43    63.00000  120.00000
   40    41    60    63.00000  120.00000
   40    42    68    63.00000  120.00000
   40    42    45    60.00000  119.52600
   41    43    44    35.00000  120.00000
   41    43    47    63.00000  120.00000
   41    60    53    63.00000  120.00000
   41    60    62    63.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    53    63.00000  120.00000
   47    51    58    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    60    63.00000  120.00000
   51    53    61    70.00000  120.00000
   51    58    59    35.00000  113.00000
   53    60    62    63.00000  120.00000
   53    61    64    75.00000  111.00000
   60    41    43    63.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    68    63.00000  120.00000
   62    68    69    35.00000  120.00000
   62    68    42    63.00000  120.00000
   68    62    63    35.00000  120.00000
   68    42    45    60.00000  119.52600
   42    40    41    63.00000  120.00000
   42    68    69    35.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    49    65.00000  115.47100
   45    49    50    35.00000  109.50000
   45    49    52    90.00000  108.74100
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    45    46    80.00000  120.40000
   49    52    54    60.00000  109.50000
   52    49    50    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   61    53    60    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   58    51    53    70.00000  120.00000
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   0.32350  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    42   2.26350  1.0 1.0
   33    38    40    42   0.76750 -1.0 2.0
   33    38    40    42   0.22500  1.0 3.0
   33    49    52    54   0.06250  1.0 1.0
   33    49    52    54  -0.01100 -1.0 2.0
   33    49    52    54   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    45  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    52   0.23400  1.0 3.0
   38    33    49    45   0.11950  1.0 1.0
   38    33    49    45   0.20300 -1.0 2.0
   38    33    49    45  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    52  -0.09450  1.0 1.0
   38    33    49    52  -1.12950 -1.0 2.0
   38    33    49    52   0.54000  1.0 3.0
   38    40    41    43   3.62500 -1.0 2.0
   38    40    41    60   3.62500 -1.0 2.0
   38    40    42    68   3.62500 -1.0 2.0
   38    40   -42    45   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    42   1.05000 -1.0 2.0
   40    41    43    44   3.62500 -1.0 2.0
   40    41    43    47   3.62500 -1.0 2.0
   40    41    60    53   3.62500 -1.0 2.0
   40    41    60    62   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    49   2.26350  1.0 1.0
   40    42    45    49   0.76750 -1.0 2.0
   40    42    45    49   0.22500  1.0 3.0
   41    40    42    68   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    51   3.62500 -1.0 2.0
   41    60    62    63   3.62500 -1.0 2.0
   41    60   -62    68   3.62500 -1.0 2.0
   43    41    60    53   3.62500 -1.0 2.0
   43    41    60    62   3.62500 -1.0 2.0
   43    47   -51    53   3.62500 -1.0 2.0
   43    47    51    58   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    60   3.62500 -1.0 2.0
   47    51    53    61   3.62500 -1.0 2.0
   47    51    58    59   0.84100 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   48    47    51    58   3.62500 -1.0 2.0
   51    53   -60    41   3.62500 -1.0 2.0
   51    53    60    62   3.62500 -1.0 2.0
   51    53    61    64   1.63200 -1.0 2.0
   53    51    58    59   0.84100 -1.0 2.0
   53    60    62    63   3.62500 -1.0 2.0
   53    60    62    68   3.62500 -1.0 2.0
   53    61    64    65   0.08050  1.0 3.0
   53    61    64    66   0.08050  1.0 3.0
   53    61    64    67   0.08050  1.0 3.0
   60    41    43    44   3.62500 -1.0 2.0
   60    41   -43    47   3.62500 -1.0 2.0
   60    53    61    64   1.63200 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    68    42   3.62500 -1.0 2.0
   62    68   -42    40   3.62500 -1.0 2.0
   62    68    42    45   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   63    62    68    42   3.62500 -1.0 2.0
   68    42    45    46   1.05000 -1.0 2.0
   68    42    45    49   2.26350  1.0 1.0
   68    42    45    49   0.76750 -1.0 2.0
   68    42    45    49   0.22500  1.0 3.0
   69    68    42    40   3.62500 -1.0 2.0
   69    68    42    45   3.62500 -1.0 2.0
   42    40    41    43   3.62500 -1.0 2.0
   42    40   -41    60   3.62500 -1.0 2.0
   42    45   -49    33   0.05850 -1.0 2.0
   42    45   -49    33   0.17250  1.0 3.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    52   0.65300  1.0 1.0
   42    45    49    52  -0.03850 -1.0 2.0
   42    45    49    52   0.33900  1.0 3.0
   45    49    52    54  -1.11000  1.0 1.0
   45    49    52    54   0.50250 -1.0 2.0
   45    49    52    54   0.47450  1.0 3.0
   46    45    49    33   0.30150 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    52   0.30150 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.05850 -1.0 2.0
   49    33   -38    40   0.17250  1.0 3.0
   49    52    54    55   0.37050  1.0 3.0
   49    52    54    56   0.37050  1.0 3.0
   49    52    54    57   0.37050  1.0 3.0
   50    49    52    54   0.37050  1.0 3.0
   61    53    60    41   3.62500 -1.0 2.0
   61    53    60    62   3.62500 -1.0 2.0
   58    51    53    60   3.62500 -1.0 2.0
   58    51    53    61   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    42    40    38   4.00000 -1.0 2.0
   43    60    41    40   4.00000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   53    58    51    47   4.00000 -1.0 2.0
   60    61    53    51   4.00000 -1.0 2.0
   53    62    60    41   4.00000 -1.0 2.0
   68    63    62    60   1.10000 -1.0 2.0
   42    69    68    62   1.10000 -1.0 2.0
   68    45    42    40   4.00000 -1.0 2.0
   42    49    45    46  10.50000 -1.0 2.0
END
