* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    133    188     381
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02144    43.04598  -139.86368
    3     1 S   H    _H1_     3     1.02114   103.87121   -37.21596
    4     1 S   H    _H2_     4     1.02108    70.18843    68.01988
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.82814    98.14248   161.77232
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   S    _S1_    37     1.83387   110.01970    41.43833
   38    33 S   CT   _C8_    46     1.53179   108.19913   160.02462
   39    38 S   HC   _H10    47     1.09675   110.59504  -179.39737
   40    37 S   CT   _C14    38     1.81142    97.60750  -128.32547
   41    40 S   HC   _H18    39     1.09669   108.51078  -146.72901
   42    40 S   HC   _H19    40     1.09625   110.01130    95.70595
   43    38 S   CO4  _C7_    48     1.51976   108.72592   -62.43723
   44    43 S   O    _O34    49     1.22283   125.22563    90.65278
   45    38 S   CO4  _C9_    61     1.52017   109.64280    63.66724
   46    45 S   O    _O35    62     1.22302   125.23534   -90.41210
   47    40 S   CT   _C15    41     1.51186   108.06951   -25.84577
   48    47 S   HC   _H20    42     1.09512   111.97177   168.98027
   49    47 S   HC   _H21    43     1.09399   111.33328   -69.91134
   50    43 S   OS   _O33    50     1.36779   109.26830   -88.61037
   51    45 S   OS   _O36    63     1.36757   109.34841    90.18250
   52    33 S   SZ   _S2_    44     1.84909   111.38700   -80.72172
   53    52 S   OZ   _O37    45     1.50114   108.45439    41.30031
   54    50 S   CT   _C5_    51     1.43066   115.52212   179.26219
   55    54 S   HC   _H6_    52     1.09515   107.46235    30.00493
   56    51 S   CT   _C10    64     1.43179   115.57694   179.41483
   57    56 S   HC   _H11    65     1.09492   107.38110   -30.02309
   58    54 S   CT   _C4_    53     1.52130   109.22079   148.63910
   59    58 S   HC   _H3_    54     1.09411   111.25233    62.64546
   60    58 S   HC   _H4_    55     1.09522   110.35037  -176.73122
   61    58 S   HC   _H5_    56     1.09466   111.12031   -58.55635
   62    54 S   CT   _C6_    57     1.52080   109.25007   -88.67906
   63    62 S   HC   _H7_    58     1.09478   111.28533   -62.60876
   64    62 S   HC   _H8_    59     1.09527   110.40284   176.69009
   65    62 S   HC   _H9_    60     1.09623   111.10931    58.54056
   66    56 S   CT   _C11    66     1.52030   109.22829    88.67231
   67    66 S   HC   _H12    67     1.09409   111.29590    62.59185
   68    66 S   HC   _H13    68     1.09447   110.37079  -176.66240
   69    66 S   HC   _H14    69     1.09598   111.07658   -58.59759
   70    56 S   CT   _C12    70     1.52055   109.18296  -148.66813
   71    70 S   HC   _H15    71     1.09415   111.31534   -62.67426
   72    70 S   HC   _H16    72     1.09557   110.32977   176.68377
   73    70 S   HC   _H17    73     1.09509   111.11299    58.56913
  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  10   5   4   3
  17   2   1   1  12  13   7   7   5   4  10   3   8   2   4   3
   2  10  10   1   1   9   8   9   8   7   3   2   1   3   2   1
   1   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    53    38    39    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    42    47    48    49    52    53    38    39    43    44    50    45    46    51  
   35    36  
   36  
    0  
   40    41    42    47    48    49    52    53    38    39    43    45  
   39    43    44    50    54    45    46    51    56    40    47    52    53  
   43    44    50    45    46    51    52  
   41    42    47    48    49    52    53  
   42    47    48    49    52  
   47    48    49    52  
   44    50    54    55    58    62    45    46    51    52  
   50    54    45  
   46    51    56    57    66    70    50    52  
   51    56  
   48    49    52    53  
   49    52    53  
   52    53  
   54    55    58    59    60    61    62    63    64    65  
   56    57    66    67    68    69    70    71    72    73  
   53  
    0  
   55    58    59    60    61    62    63    64    65  
   58    59    60    61    62    63    64    65  
   57    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71    72    73  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.025000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5600   0.3950   0.170000   2.0080   1.7800   0.025682759  -1.666211680
   53   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   222.000  1.810
   33    52   340.000  1.853
   33    38   268.000  1.529
   37    40   222.000  1.810
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   340.000  1.853
   52    53   700.000  1.530
   38    39   340.000  1.090
   38    43   317.000  1.522
   38    45   317.000  1.522
   43    44   570.000  1.229
   43    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    62   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   45    46   570.000  1.229
   45    51   214.000  1.327
   51    56   320.000  1.410
   56    57   340.000  1.090
   56    66   268.000  1.529
   56    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  118.28000
   29    33    52    75.00000  118.00000
   29    33    38    75.00000  111.63000
   33    37    40    62.00000   98.90000
   33    52    47    62.00000   96.00000
   33    52    53    74.00000  107.00000
   33    38    39    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    38    45    63.00000  111.10000
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    47    75.00000  111.63000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    52    75.00000  107.60000
   42    40    41    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    42    37.50000  110.70000
   47    52    53    74.00000  107.00000
   49    47    48    33.00000  107.80000
   52    33    37    75.00000  118.00000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   38    33    37    75.00000  111.63000
   38    33    52    75.00000  107.60000
   38    43    44    80.00000  120.40000
   38    43    50    81.00000  111.40000
   38    45    46    80.00000  120.40000
   38    45    51    81.00000  111.40000
   43    38    39    35.00000  109.50000
   43    50    54    83.00000  116.90000
   50    43    44    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    58    50.00000  109.50000
   50    54    62    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    37.50000  110.70000
   58    54    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    43    75.00000  107.99600
   45    51    56    83.00000  116.90000
   51    45    46    83.00000  123.40000
   51    56    57    35.00000  109.50000
   51    56    66    50.00000  109.50000
   51    56    70    50.00000  109.50000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    69    37.50000  110.70000
   56    70    71    37.50000  110.70000
   56    70    72    37.50000  110.70000
   56    70    73    37.50000  110.70000
   66    56    57    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    56    57    37.50000  110.70000
   70    56    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.08500  1.0 1.0
   24    29    33    37  -0.53150 -1.0 2.0
   24    29    33    37   0.48050  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.08500  1.0 1.0
   29    33    37    40  -0.53150 -1.0 2.0
   29    33    37    40   0.48050  1.0 3.0
   29    33    52    47   0.00000  1.0 1.0
   29    33    52    53   0.00000  1.0 1.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  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
   33    37    40    41   0.32350  1.0 3.0
   33    37    40    42   0.32350  1.0 3.0
   33    37   -40    47   0.01700  1.0 1.0
   33    37   -40    47  -0.23550 -1.0 2.0
   33    37   -40    47   0.21350  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    50   0.36750  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    51   0.36750  1.0 3.0
   37    33   -52    47   0.00000  1.0 1.0
   37    33    52    53   0.00000  1.0 1.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    43   0.56750  1.0 1.0
   37    33    38    43  -0.07550 -1.0 2.0
   37    33    38    43   0.20000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    40    47    48   0.15000  1.0 3.0
   37    40    47    49   0.15000  1.0 3.0
   37    40   -47    52   0.56750  1.0 1.0
   37    40   -47    52  -0.07550 -1.0 2.0
   37    40   -47    52   0.20000  1.0 3.0
   40    47   -52    33   0.00000  1.0 1.0
   40    47    52    53   0.00000  1.0 1.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    52   0.15000  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    49   0.15000  1.0 3.0
   42    40    47    52   0.15000  1.0 3.0
   48    47    52    33   0.53150  1.0 3.0
   48    47    52    53  -0.07200  1.0 3.0
   49    47    52    33   0.53150  1.0 3.0
   49    47    52    53  -0.07200  1.0 3.0
   52    33   -37    40   0.01700  1.0 1.0
   52    33   -37    40  -0.23550 -1.0 2.0
   52    33   -37    40   0.21350  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    43   0.56750  1.0 1.0
   52    33    38    43  -0.07550 -1.0 2.0
   52    33    38    43   0.20000  1.0 3.0
   52    33    38    45   0.56750  1.0 1.0
   52    33    38    45  -0.07550 -1.0 2.0
   52    33    38    45   0.20000  1.0 3.0
   38    33    37    40   0.01700  1.0 1.0
   38    33    37    40  -0.23550 -1.0 2.0
   38    33    37    40   0.21350  1.0 3.0
   38    33    52    47   0.00000  1.0 1.0
   38    33    52    53   0.00000  1.0 1.0
   38    43    50    54   1.63150  1.0 1.0
   38    43    50    54   2.92000 -1.0 2.0
   38    45    51    56   1.63150  1.0 1.0
   38    45    51    56   2.92000 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    50   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    51   0.00000  1.0 1.0
   43    38    45    46   0.30150 -1.0 2.0
   43    38    45    51   0.40000  1.0 3.0
   43    50    54    55   0.08050  1.0 3.0
   43    50    54    58  -0.25900  1.0 1.0
   43    50    54    58  -0.47000 -1.0 2.0
   43    50    54    58   0.11750  1.0 3.0
   43    50    54    62  -0.25900  1.0 1.0
   43    50    54    62  -0.47000 -1.0 2.0
   43    50    54    62   0.11750  1.0 3.0
   44    43    50    54   3.00000 -1.0 2.0
   50    54    58    59   0.23400  1.0 3.0
   50    54    58    60   0.23400  1.0 3.0
   50    54    58    61   0.23400  1.0 3.0
   50    54    62    63   0.23400  1.0 3.0
   50    54    62    64   0.23400  1.0 3.0
   50    54    62    65   0.23400  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    65   0.15000  1.0 3.0
   58    54    62    63   0.15000  1.0 3.0
   58    54    62    64   0.15000  1.0 3.0
   58    54    62    65   0.15000  1.0 3.0
   62    54    58    59   0.15000  1.0 3.0
   62    54    58    60   0.15000  1.0 3.0
   62    54    58    61   0.15000  1.0 3.0
   45    38    43    44   0.30150 -1.0 2.0
   45    38    43    50   0.40000  1.0 3.0
   45    51    56    57   0.08050  1.0 3.0
   45    51    56    66  -0.25900  1.0 1.0
   45    51    56    66  -0.47000 -1.0 2.0
   45    51    56    66   0.11750  1.0 3.0
   45    51    56    70  -0.25900  1.0 1.0
   45    51    56    70  -0.47000 -1.0 2.0
   45    51    56    70   0.11750  1.0 3.0
   46    45    51    56   3.00000 -1.0 2.0
   51    56    66    67   0.23400  1.0 3.0
   51    56    66    68   0.23400  1.0 3.0
   51    56    66    69   0.23400  1.0 3.0
   51    56    70    71   0.23400  1.0 3.0
   51    56    70    72   0.23400  1.0 3.0
   51    56    70    73   0.23400  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    69   0.15000  1.0 3.0
   57    56    70    71   0.15000  1.0 3.0
   57    56    70    72   0.15000  1.0 3.0
   57    56    70    73   0.15000  1.0 3.0
   66    56    70    71   0.15000  1.0 3.0
   66    56    70    72   0.15000  1.0 3.0
   66    56    70    73   0.15000  1.0 3.0
   70    56    66    67   0.15000  1.0 3.0
   70    56    66    68   0.15000  1.0 3.0
   70    56    66    69   0.15000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   38    50    43    44  10.50000 -1.0 2.0
   38    51    45    46  10.50000 -1.0 2.0
END
