* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     437
    1     0 S   NP   _N1_     1    28.89541    96.49670   -20.52859
    2     1 S   H    _HN1     2     1.02842    41.19301   160.83942
    3     1 S   H    _H1_     3     1.02783    79.11188   -65.23334
    4     1 S   H    _H2_     4     1.02958    89.35750    43.53716
    5     1 S   CT   _CA1     5     1.50093   151.07300   178.16880
    6     5 S   HC   _HA1     6     1.09566   105.31493    47.21619
    7     5 S   CO3  _C1_     7     1.53867   112.23062   -73.21089
    8     7 S   O2Z  _O11     8     1.26368   115.02961   -47.09488
    9     7 S   O2Z  _O12     9     1.26233   114.91710   132.12369
   10     5 S   CT   _CB1    10     1.53078   107.45527   165.25655
   11    10 S   HC   HB11    11     1.09817   109.61832   -49.36712
   12    10 S   HC   HB12    12     1.09836   110.31542    67.24461
   13    10 S   CT   _CG1    13     1.53015   112.57391  -170.45810
   14    13 S   HC   HG11    14     1.09536   110.36418   -56.34004
   15    13 S   HC   HG12    15     1.09610   110.24014    62.69595
   16    13 S   C    _CD1    16     1.51796   111.84359  -177.21554
   17    16 S   O    _OE1    17     1.22750   123.02572   -18.21311
   18    16 S   N    _N2_    18     1.38494   111.81829   162.54762
   19    18 S   H    _HN2    19     1.01560   119.20570     1.08534
   20    18 S   CT1  _CA2    20     1.46214   123.53283  -176.76154
   21    20 S   HC   _HA2    21     1.09733   109.35553   -14.27803
   22    20 S   C    _C2_    22     1.53469   108.53458  -129.96922
   23    22 S   O    _O2_    23     1.23019   122.27448  -148.62036
   24    20 S   CT   _CB2    32     1.53638   111.08799   107.81095
   25    24 S   HC   HB21    33     1.09133   109.08487    54.68596
   26    24 S   HC   HB22    34     1.09490   109.96329   173.01495
   27    22 S   N    _N3_    24     1.38531   113.41217    39.03835
   28    27 S   H    _HN3    25     1.01524   118.84910    -0.79770
   29    24 S   S    _SG2    35     1.82898   111.26063   -68.37316
   30    27 S   CT   _CA3    26     1.45441   123.50542   175.14356
   31    30 S   HC   HA31    27     1.09519   109.30210    23.15369
   32    30 S   HC   HA32    28     1.09498   107.10323   140.15437
   33    29 S   CT   _C11    36     1.88692   104.16782   154.32101
   34    30 S   CO3  _C3_    29     1.52912   113.08415  -100.37995
   35    34 S   O2Z  _O31    30     1.26408   115.39590   -44.92632
   36    34 S   O2Z  _O32    31     1.26356   114.99997   136.04093
   37    33 S   CT   _C10    37     1.61489   103.78222   135.12947
   38    37 S   HC   _H7_    38     1.09981   111.37394     2.01276
   39    37 S   CT   _C9_    39     1.52940   111.93937   119.69665
   40    39 S   HC   _H6_    40     1.09922   110.76785    66.93349
   41    37 S   CT   _C14    63     1.55289   107.75833  -114.08984
   42    39 S   CT   _C8_    41     1.50491   107.83279   -57.25993
   43    42 S   HC   _H5_    42     1.10009   110.31976   -46.75281
   44    41 S   CT   _C13    64     1.52767   102.08288   -29.55518
   45    44 S   Cl   Cl1_    65     1.79420   112.56970   167.02936
   46    44 S   HC   _H9_    66     1.09981   109.40537   -76.38517
   47    41 S   CT   _C15    70     1.53769   110.56657    94.21243
   48    47 S   HC   _H15    71     1.09524   111.61585   178.04886
   49    47 S   HC   _H16    72     1.09688   110.05107    61.44241
   50    47 S   HC   _H17    73     1.09284   113.17127   -59.23570
   51    41 S   OH   _O33    74     1.42519   112.19970  -146.57190
   52    51 S   HO   _H18    75     0.97294   107.59811   172.07145
   53    42 S   CM   _C17    43     1.48505    99.52586  -158.30780
   54    42 S   CT   _C7_    50     1.51011   110.71551    73.70197
   55    54 S   HC   _H13    51     1.09824   109.69042    90.27258
   56    54 S   HC   _H14    52     1.09809   107.62315  -155.27243
   57    33 S   CT   _C12    67     1.60814   113.90299    24.97994
   58    57 S   OM   _O34    68     1.31976   113.62063  -111.49129
   59    57 S   HC   _H8_    69     1.09647   107.49353    22.03747
   60    53 S   CO4  _C16    44     1.48294   106.59521    29.63959
   61    60 S   O    _O36    45     1.21708   127.19561   167.03839
   62    53 S   CM   _C18    47     1.33439   130.54964  -149.18901
   63    62 S   HC   _H19    48     1.08475   121.00048    -0.94378
   64    62 S   HC   _H20    49     1.08508   121.54129   179.29501
   65    33 S   CT   _C6_    53     1.61750   107.17288  -105.59763
   66    65 S   HC   _H4_    54     1.10020   104.67031   167.54776
   67    39 S   OS   _O35    46     1.43639   113.65226  -171.81837
   68    65 S   CT   _C5_    55     1.57560   118.53083    48.85257
   69    68 S   HC   _H3_    56     1.09545   109.13871   -75.45236
   70    68 S   CT   _C4_    57     1.53242   112.38359   164.85185
   71    70 S   HC   _H10    58     1.09547   110.65624   -59.24017
   72    70 S   HC   _H11    59     1.09585   110.55277  -177.06188
   73    70 S   HC   _H12    60     1.09288   112.41546    62.60721
   74    68 S   OH   _O37    61     1.41763   113.63568    43.23487
   75    74 S   HO   _H21    62     0.97133   108.25173   178.72728
  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  13   5   4   3
  24   2   1   1  25  10  17   7  15  14   8  12   6   5   6   3
   2   1   2   1  10  12   4   3   5   2   1   5   2   3   1   1
   9   4   1   7   6   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    65    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    54    65    66    68    41    44    57    58    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    42    67    54    55    56    65    66    68    69    70    74    41    44    45    46    57    58    59    47    51  
   35    36  
   36  
    0  
   38    39    40    42    43    53    60    67    54    65    66    68    41    44    45    46    57    58    59    47    48    49    50    51    52  
   39    40    42    67    65    41    44    57    47    51  
   40    42    43    53    60    61    67    62    54    55    56    65    41    44    57    47    51  
   42    43    53    60    67    54    41  
   44    45    46    57    58    59    47    48    49    50    51    52    42    65    67  
   43    53    60    61    67    62    63    64    54    55    56    65    66    68  
   53    60    67    62    54    55    56    65  
   45    46    57    58    59    47    48    49    50    51    52    65  
   46    57    58    59    47    51  
   57    58    59    47    51  
   48    49    50    51    52    57  
   49    50    51  
   50    51  
   51  
   52    57  
    0  
   60    61    67    62    63    64    54    55    56    65  
   55    56    65    66    68    69    70    74    57    60    62    67  
   56    65    66    68  
   65    66    68  
   58    59    65    66    68  
   59    65  
   65  
   61    67    62    63    64  
   67    62  
   63    64    67  
   64  
    0  
   66    68    69    70    71    72    73    74    75  
   68    69    70    74  
    0  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74  
   73    74  
   74  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   46   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    65   268.000  1.529
   33    57   268.000  1.529
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    41   268.000  1.529
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    67   320.000  1.410
   42    43   340.000  1.090
   42    53   317.000  1.510
   42    54   268.000  1.529
   53    60   320.000  1.462
   53    62   549.000  1.340
   60    61   570.000  1.229
   60    67   214.000  1.327
   62    63   340.000  1.080
   62    64   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    74   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   553.000  0.945
   41    44   268.000  1.529
   41    47   268.000  1.529
   41    51   320.000  1.410
   44    45   245.000  1.781
   44    46   340.000  1.090
   44    57   268.000  1.529
   57    58   570.000  1.307
   57    59   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   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    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  111.63000
   29    33    65    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    58.35000  112.70000
   33    37    41    58.35000  112.70000
   33    65    54    58.35000  112.70000
   33    65    66    37.50000  110.70000
   33    65    68    58.35000  112.70000
   33    57    44    58.35000  112.70000
   33    57    58    50.00000  109.50000
   33    57    59    37.50000  110.70000
   37    39    40    37.50000  110.70000
   37    39    42    58.35000  112.70000
   37    39    67    50.00000  109.50000
   37    41    44    58.35000  112.70000
   37    41    47    58.35000  112.70000
   37    41    51    50.00000  109.50000
   39    37    38    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    53    70.00000  112.02700
   39    42    54    58.35000  112.70000
   39    67    60    83.00000  116.90000
   42    39    40    37.50000  110.70000
   42    53    60    65.00000  116.34900
   42    53    62    70.00000  124.00000
   42    54    55    37.50000  110.70000
   42    54    56    37.50000  110.70000
   42    54    65    58.35000  112.70000
   53    42    43    35.00000  109.50000
   53    60    61    80.00000  123.72100
   53    60    67    90.00000  111.29400
   53    62    63    35.00000  120.00000
   53    62    64    35.00000  120.00000
   67    39    40    35.00000  109.50000
   67    39    42    50.00000  109.50000
   67    60    61    83.00000  123.40000
   62    53    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   54    42    43    37.50000  110.70000
   54    42    53    70.00000  112.02700
   54    65    66    37.50000  110.70000
   54    65    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   65    33    37    58.35000  112.70000
   65    54    55    37.50000  110.70000
   65    54    56    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    74    50.00000  109.50000
   68    65    66    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    37.50000  110.70000
   68    74    75    55.00000  108.50000
   70    68    69    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    68    69    35.00000  109.50000
   74    68    70    50.00000  109.50000
   41    37    38    37.50000  110.70000
   41    37    39    58.35000  112.70000
   41    44    45    69.00000  109.80000
   41    44    46    37.50000  110.70000
   41    44    57    58.35000  112.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   41    51    52    55.00000  108.50000
   44    57    58    50.00000  109.50000
   44    57    59    37.50000  110.70000
   46    44    45    51.00000  107.60000
   57    33    37    58.35000  112.70000
   57    33    65    58.35000  112.70000
   57    44    45    69.00000  109.80000
   57    44    46    37.50000  110.70000
   59    57    58    45.00000  125.66300
   47    41    44    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    41    44    50.00000  109.50000
   51    41    47    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    38   0.15000  1.0 3.0
   29    33    37    39   0.44750  1.0 1.0
   29    33    37    39  -0.17800 -1.0 2.0
   29    33    37    39   0.20200  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    65    54   0.44750  1.0 1.0
   29    33    65    54  -0.17800 -1.0 2.0
   29    33    65    54   0.20200  1.0 3.0
   29    33    65    66   0.15000  1.0 3.0
   29    33    65    68   0.44750  1.0 1.0
   29    33    65    68  -0.17800 -1.0 2.0
   29    33    65    68   0.20200  1.0 3.0
   29    33    57    44   0.44750  1.0 1.0
   29    33    57    44  -0.17800 -1.0 2.0
   29    33    57    44   0.20200  1.0 3.0
   29    33    57    58   0.56750  1.0 1.0
   29    33    57    58  -0.07550 -1.0 2.0
   29    33    57    58   0.20000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   33    37    39    40   0.15000  1.0 3.0
   33    37    39    42   0.56750  1.0 1.0
   33    37    39    42  -0.07550 -1.0 2.0
   33    37    39    42   0.20000  1.0 3.0
   33    37    39    67   0.62750  1.0 1.0
   33    37    39    67  -0.30950 -1.0 2.0
   33    37    39    67   0.27300  1.0 3.0
   33    37   -41    44   0.56750  1.0 1.0
   33    37   -41    44  -0.07550 -1.0 2.0
   33    37   -41    44   0.20000  1.0 3.0
   33    37    41    47   0.56750  1.0 1.0
   33    37    41    47  -0.07550 -1.0 2.0
   33    37    41    47   0.20000  1.0 3.0
   33    37    41    51   0.86500  1.0 1.0
   33    37    41    51  -0.17500 -1.0 2.0
   33    37    41    51   0.20800  1.0 3.0
   33    65    68    69   0.15000  1.0 3.0
   33    65    68    70   0.56750  1.0 1.0
   33    65    68    70  -0.07550 -1.0 2.0
   33    65    68    70   0.20000  1.0 3.0
   33    65    68    74   0.86500  1.0 1.0
   33    65    68    74  -0.17500 -1.0 2.0
   33    65    68    74   0.20800  1.0 3.0
   37    33    65    54   0.56750  1.0 1.0
   37    33    65    54  -0.07550 -1.0 2.0
   37    33    65    54   0.20000  1.0 3.0
   37    33    65    66   0.15000  1.0 3.0
   37    33    65    68   0.56750  1.0 1.0
   37    33    65    68  -0.07550 -1.0 2.0
   37    33    65    68   0.20000  1.0 3.0
   37    33   -57    44   0.56750  1.0 1.0
   37    33   -57    44  -0.07550 -1.0 2.0
   37    33   -57    44   0.20000  1.0 3.0
   37    33    57    58   0.62750  1.0 1.0
   37    33    57    58  -0.30950 -1.0 2.0
   37    33    57    58   0.27300  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    39    42    43   0.15000  1.0 3.0
   37    39    42    53   0.34400  1.0 1.0
   37    39    42    53   0.09450 -1.0 2.0
   37    39    42    53   0.11100  1.0 3.0
   37    39   -42    54   0.56750  1.0 1.0
   37    39   -42    54  -0.07550 -1.0 2.0
   37    39   -42    54   0.20000  1.0 3.0
   37    39    67    60  -0.25900  1.0 1.0
   37    39    67    60  -0.47000 -1.0 2.0
   37    39    67    60   0.11750  1.0 3.0
   37    41    44    45   0.35600  1.0 1.0
   37    41    44    45  -0.14650 -1.0 2.0
   37    41    44    45   0.33350  1.0 3.0
   37    41    44    46   0.15000  1.0 3.0
   37    41   -44    57   0.56750  1.0 1.0
   37    41   -44    57  -0.07550 -1.0 2.0
   37    41   -44    57   0.20000  1.0 3.0
   37    41    47    48   0.15000  1.0 3.0
   37    41    47    49   0.15000  1.0 3.0
   37    41    47    50   0.15000  1.0 3.0
   37    41    51    52  -0.11600  1.0 1.0
   37    41    51    52  -0.09450 -1.0 2.0
   37    41    51    52   0.21250  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    42   0.15000  1.0 3.0
   38    37    39    67   0.23400  1.0 3.0
   38    37    41    44   0.15000  1.0 3.0
   38    37    41    47   0.15000  1.0 3.0
   38    37    41    51   0.23400  1.0 3.0
   39    37    41    44   0.56750  1.0 1.0
   39    37    41    44  -0.07550 -1.0 2.0
   39    37    41    44   0.20000  1.0 3.0
   39    37    41    47   0.56750  1.0 1.0
   39    37    41    47  -0.07550 -1.0 2.0
   39    37    41    47   0.20000  1.0 3.0
   39    37    41    51   0.86500  1.0 1.0
   39    37    41    51  -0.17500 -1.0 2.0
   39    37    41    51   0.20800  1.0 3.0
   39    42   -53    60   0.09700  1.0 1.0
   39    42   -53    60   0.15600 -1.0 2.0
   39    42   -53    60  -0.50800  1.0 3.0
   39    42    53    62   0.09850  1.0 1.0
   39    42    53    62   0.15250 -1.0 2.0
   39    42    53    62  -0.50650  1.0 3.0
   39    42    54    55   0.15000  1.0 3.0
   39    42    54    56   0.15000  1.0 3.0
   39    42    54    65   0.56750  1.0 1.0
   39    42    54    65  -0.07550 -1.0 2.0
   39    42    54    65   0.20000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    53   0.15000  1.0 3.0
   40    39    42    54   0.15000  1.0 3.0
   40    39    67    60   0.08050  1.0 3.0
   42    39   -67    60  -0.25900  1.0 1.0
   42    39   -67    60  -0.47000 -1.0 2.0
   42    39   -67    60   0.11750  1.0 3.0
   42    53    60    61  -0.64400  1.0 1.0
   42    53    60    61   0.26850 -1.0 2.0
   42    53   -60    67  -0.15000  1.0 1.0
   42    53   -60    67   0.89550 -1.0 2.0
   42    53   -60    67  -0.06900  1.0 3.0
   42    53    62    63   7.00000 -1.0 2.0
   42    53    62    64   7.00000 -1.0 2.0
   42    54   -65    33   0.56750  1.0 1.0
   42    54   -65    33  -0.07550 -1.0 2.0
   42    54   -65    33   0.20000  1.0 3.0
   42    54    65    66   0.15000  1.0 3.0
   42    54    65    68   0.56750  1.0 1.0
   42    54    65    68  -0.07550 -1.0 2.0
   42    54    65    68   0.20000  1.0 3.0
   43    42    53    60   0.15000  1.0 3.0
   43    42    53    62   0.00000  1.0 1.0
   43    42    54    55   0.15000  1.0 3.0
   43    42    54    56   0.15000  1.0 3.0
   43    42    54    65   0.15000  1.0 3.0
   53    42    54    55   0.15000  1.0 3.0
   53    42    54    56   0.15000  1.0 3.0
   53    42    54    65   0.34400  1.0 1.0
   53    42    54    65   0.09450 -1.0 2.0
   53    42    54    65   0.11100  1.0 3.0
   53    60   -67    39   2.00000 -1.0 2.0
   60    53    62    63   7.00000 -1.0 2.0
   60    53    62    64   7.00000 -1.0 2.0
   61    60    67    39   3.00000 -1.0 2.0
   67    39    42    43   0.23400  1.0 3.0
   67    39   -42    53   0.61850  1.0 1.0
   67    39   -42    53  -0.22750 -1.0 2.0
   67    39   -42    53   0.15300  1.0 3.0
   67    39    42    54   0.62750  1.0 1.0
   67    39    42    54  -0.30950 -1.0 2.0
   67    39    42    54   0.27300  1.0 3.0
   62    53    60    61   1.00000 -1.0 2.0
   62    53    60    67  -0.56150  1.0 1.0
   62    53    60    67   2.19150 -1.0 2.0
   54    42    53    60   0.09700  1.0 1.0
   54    42    53    60   0.15600 -1.0 2.0
   54    42    53    60  -0.50800  1.0 3.0
   54    42    53    62   0.09850  1.0 1.0
   54    42    53    62   0.15250 -1.0 2.0
   54    42    53    62  -0.50650  1.0 3.0
   54    65    68    69   0.15000  1.0 3.0
   54    65    68    70   0.56750  1.0 1.0
   54    65    68    70  -0.07550 -1.0 2.0
   54    65    68    70   0.20000  1.0 3.0
   54    65    68    74   0.86500  1.0 1.0
   54    65    68    74  -0.17500 -1.0 2.0
   54    65    68    74   0.20800  1.0 3.0
   55    54    65    33   0.15000  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   56    54    65    33   0.15000  1.0 3.0
   56    54    65    66   0.15000  1.0 3.0
   56    54    65    68   0.15000  1.0 3.0
   65    33    37    38   0.15000  1.0 3.0
   65    33   -37    39   0.56750  1.0 1.0
   65    33   -37    39  -0.07550 -1.0 2.0
   65    33   -37    39   0.20000  1.0 3.0
   65    33    37    41   0.56750  1.0 1.0
   65    33    37    41  -0.07550 -1.0 2.0
   65    33    37    41   0.20000  1.0 3.0
   65    33    57    44   0.56750  1.0 1.0
   65    33    57    44  -0.07550 -1.0 2.0
   65    33    57    44   0.20000  1.0 3.0
   65    33    57    58   0.62750  1.0 1.0
   65    33    57    58  -0.30950 -1.0 2.0
   65    33    57    58   0.27300  1.0 3.0
   65    33    57    59   0.15000  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    70    72   0.15000  1.0 3.0
   65    68    70    73   0.15000  1.0 3.0
   65    68    74    75  -0.11600  1.0 1.0
   65    68    74    75  -0.09450 -1.0 2.0
   65    68    74    75   0.21250  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    74   0.23400  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   70    68    74    75  -0.11600  1.0 1.0
   70    68    74    75  -0.09450 -1.0 2.0
   70    68    74    75   0.21250  1.0 3.0
   74    68    70    71   0.23400  1.0 3.0
   74    68    70    72   0.23400  1.0 3.0
   74    68    70    73   0.23400  1.0 3.0
   41    37    39    40   0.15000  1.0 3.0
   41    37    39    42   0.56750  1.0 1.0
   41    37    39    42  -0.07550 -1.0 2.0
   41    37    39    42   0.20000  1.0 3.0
   41    37    39    67   0.62750  1.0 1.0
   41    37    39    67  -0.30950 -1.0 2.0
   41    37    39    67   0.27300  1.0 3.0
   41    44   -57    33   0.56750  1.0 1.0
   41    44   -57    33  -0.07550 -1.0 2.0
   41    44   -57    33   0.20000  1.0 3.0
   41    44    57    58   0.62750  1.0 1.0
   41    44    57    58  -0.30950 -1.0 2.0
   41    44    57    58   0.27300  1.0 3.0
   41    44    57    59   0.15000  1.0 3.0
   44    41    47    48   0.15000  1.0 3.0
   44    41    47    49   0.15000  1.0 3.0
   44    41    47    50   0.15000  1.0 3.0
   44    41    51    52  -0.11600  1.0 1.0
   44    41    51    52  -0.09450 -1.0 2.0
   44    41    51    52   0.21250  1.0 3.0
   45    44    57    33   0.35600  1.0 1.0
   45    44    57    33  -0.14650 -1.0 2.0
   45    44    57    33   0.33350  1.0 3.0
   45    44    57    58   0.56750  1.0 1.0
   45    44    57    58  -0.07550 -1.0 2.0
   45    44    57    58   0.20000  1.0 3.0
   45    44    57    59   0.27000  1.0 3.0
   46    44    57    33   0.15000  1.0 3.0
   46    44    57    58   0.23400  1.0 3.0
   46    44    57    59   0.15000  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.56750  1.0 1.0
   57    33    37    39  -0.07550 -1.0 2.0
   57    33    37    39   0.20000  1.0 3.0
   57    33   -37    41   0.56750  1.0 1.0
   57    33   -37    41  -0.07550 -1.0 2.0
   57    33   -37    41   0.20000  1.0 3.0
   57    33    65    54   0.56750  1.0 1.0
   57    33    65    54  -0.07550 -1.0 2.0
   57    33    65    54   0.20000  1.0 3.0
   57    33    65    66   0.15000  1.0 3.0
   57    33    65    68   0.56750  1.0 1.0
   57    33    65    68  -0.07550 -1.0 2.0
   57    33    65    68   0.20000  1.0 3.0
   47    41    44    45   0.35600  1.0 1.0
   47    41    44    45  -0.14650 -1.0 2.0
   47    41    44    45   0.33350  1.0 3.0
   47    41    44    46   0.15000  1.0 3.0
   47    41    44    57   0.56750  1.0 1.0
   47    41    44    57  -0.07550 -1.0 2.0
   47    41    44    57   0.20000  1.0 3.0
   47    41    51    52  -0.11600  1.0 1.0
   47    41    51    52  -0.09450 -1.0 2.0
   47    41    51    52   0.21250  1.0 3.0
   51    41    44    45   0.56750  1.0 1.0
   51    41    44    45  -0.07550 -1.0 2.0
   51    41    44    45   0.20000  1.0 3.0
   51    41    44    46   0.23400  1.0 3.0
   51    41    44    57   0.86500  1.0 1.0
   51    41    44    57  -0.17500 -1.0 2.0
   51    41    44    57   0.20800  1.0 3.0
   51    41    47    48   0.23400  1.0 3.0
   51    41    47    49   0.23400  1.0 3.0
   51    41    47    50   0.23400  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
   42    60    53    62   1.10000 -1.0 2.0
   53    67    60    61  10.50000 -1.0 2.0
   63    64    62    53   1.10000 -1.0 2.0
END
