* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    119    179     345
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02094    34.18798   144.91555
    3     1 S   H    _H1_     3     1.02109    83.93113   -78.39029
    4     1 S   H    _H2_     4     1.02106    95.86351    29.86457
    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   _C9_    36     1.81310    98.11382   -78.18955
   34    33 S   HC   _H4_    37     1.09552   107.50521    41.46944
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.52059   114.87160   -80.06424
   39    38 S   HC   _H5_    39     1.09448   113.39278    76.92886
   40    38 S   CT   _C11    40     1.52505   100.31287  -162.63936
   41    40 S   HC   _H6_    41     1.09560   109.73419   -76.94845
   42    38 S   OS   _O36    62     1.42340   111.68371   -46.63272
   43    40 S   OS   _O34    42     1.44110   105.56504    37.87450
   44    40 S   CT   _C12    57     1.51754   115.59284   158.81056
   45    44 S   HC   _H11    58     1.09264   110.35282    59.99072
   46    44 S   HC   _H12    59     1.09294   110.38517   -60.92053
   47    42 S   P2   _P1_    63     1.63639   117.75391    80.00024
   48    47 S   O2Z  _O38    64     1.51640   106.85262    55.15749
   49    47 S   O2Z  _O37    65     1.51636   108.07339  -175.89516
   50    47 S   HP   _H14    66     1.41223    97.19339   -60.01233
   51    33 S   CO   _C8_    43     1.52676   113.37333   163.38753
   52    51 S   HC   _H3_    44     1.09496   113.24849    35.37140
   53    44 S   OH   _O35    60     1.41840   108.86875   179.54587
   54    53 S   HO   _H13    61     0.97205   106.92733   180.00000
   55    51 S   N*   _N4_    45     1.43597   112.92705   -87.49676
   56    55 S   CNA  _C5_    46     1.38690   118.67763   -84.10243
   57    56 S   HC   _H8_    47     1.08414   116.03913    -0.02798
   58    56 S   CM   _C4_    48     1.33202   122.80327  -180.00000
   59    58 S   HC   _H7_    49     1.08143   123.15948   179.96574
   60    58 S   CDX  _C7_    50     1.48683   116.29831    -0.00000
   61    60 S   NNC  _N5_    51     1.30692   121.68635    -0.01978
   62    60 S   NND  _N6_    54     1.37515   118.15009  -180.00000
   63    62 S   H    _H9_    55     0.99136   118.07979    -0.01978
   64    62 S   H    _H10    56     0.99182   118.06040  -179.98022
   65    55 S   C    _C6_    52     1.41745   122.09479    95.86673
   66    65 S   O    _O33    53     1.23309   120.90575     0.00000
  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
  14   8   2   1   1  16   7  12   7   7   9   5   3   2   3   2
   1   1   8   3   1   1   8   8   4   7   3   6   5   3   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    51    52    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    51    52    55    56    65    44    42    47  
   38    39    40    43    51    52    55    42  
   36    37  
   37  
    0  
   39    40    41    43    51    52    55    44    45    46    53    42    47    48    49    50  
   40    41    43    51    44    42    47  
   41    43    51    52    55    44    45    46    53    54    42    47  
   43    51    44    45    46    53    42  
   47    48    49    50    43    44    51  
   51    52    55    56    65    44    45    46    53  
   45    46    53    54    51  
   46    53    54  
   53    54  
   48    49    50  
   49    50  
   50  
    0  
   52    55    56    57    58    61    65    66  
   55    56    65  
   54  
    0  
   56    57    58    59    60    61    65    66  
   57    58    59    60    61    65    66    62  
   58    59    60    65  
   59    60    61    65    62    63    64  
   60    61    62  
   61    65    66    62    63    64  
   65    66    62    63    64  
   63    64    65  
   64  
    0  
   66  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7400   0.2000   1.352500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   2.5000   0.0300  -0.002500   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   56   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   62   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    51   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   320.000  1.410
   40    44   268.000  1.529
   43    51   320.000  1.380
   51    52   340.000  1.090
   51    55   275.000  1.479
   55    56   448.000  1.365
   55    65   418.000  1.388
   56    57   367.000  1.080
   56    58   549.000  1.340
   58    59   340.000  1.080
   58    60   427.000  1.433
   60    61   585.000  1.311
   60    62   481.000  1.340
   61    65   457.000  1.358
   65    66   570.000  1.229
   62    63   434.000  1.010
   62    64   434.000  1.010
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   320.000  1.410
   53    54   553.000  0.945
   42    47   230.000  1.697
   47    48   525.000  1.480
   47    49   525.000  1.480
   47    50   210.000  1.425
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  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    43    90.00000  108.56700
   33    51    52    45.00000  112.01100
   33    51    55    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    50.00000  109.50000
   38    40    44    58.35000  112.70000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    51    60.00000  109.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    53    50.00000  109.50000
   43    40    41    35.00000  109.50000
   43    51    52    35.00000  109.50000
   43    51    55   105.00000  106.22000
   51    33    34    45.00000  108.72000
   51    33    38    75.00000  109.43000
   51    55    56    70.00000  121.20000
   51    55    65    70.00000  117.60000
   55    51    52    55.00000  103.44000
   55    56    57    35.00000  119.10000
   55    56    58    70.00000  121.20000
   55    65    61    70.00000  118.60000
   55    65    66    80.00000  120.60000
   56    58    59    35.00000  120.00000
   56    58    60    85.00000  117.00000
   58    56    57    35.00000  119.70000
   58    60    61    70.00000  121.02800
   58    60    62    70.00000  120.10000
   60    58    59    35.00000  123.30000
   60    61    65    70.00000  123.15400
   60    62    63    35.00000  120.00000
   60    62    64    35.00000  120.00000
   61    65    66    80.00000  122.50000
   65    55    56    70.00000  121.60000
   62    60    61    70.00000  119.30000
   64    62    63    35.00000  120.00000
   44    40    41    37.50000  110.70000
   44    40    43    50.00000  109.50000
   44    53    54    55.00000  108.50000
   46    44    45    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    46    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  108.23000
   42    47    49   100.00000  108.23000
   42    47    50    60.00000   98.85000
   49    47    48   140.00000  119.90000
   50    47    48    55.00000  110.24000
   50    47    49    55.00000  110.24000
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    43   0.56750  1.0 1.0
   29    33    51    43  -0.07550 -1.0 2.0
   29    33    51    43   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    43   0.62750  1.0 1.0
   33    38   -40    43  -0.30950 -1.0 2.0
   33    38   -40    43   0.27300  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    51    55    56   2.08450  1.0 1.0
   33    51    55    56  -0.39300 -1.0 2.0
   33    51    55    56   0.23400  1.0 3.0
   33    51    55    65  -0.43950  1.0 1.0
   33    51    55    65  -0.08100 -1.0 2.0
   33    51    55    65   0.03350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    43   0.23400  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    55   0.15000  1.0 3.0
   38    33   -51    43   0.62750  1.0 1.0
   38    33   -51    43  -0.30950 -1.0 2.0
   38    33   -51    43   0.27300  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    55  -0.27100  1.0 1.0
   38    33    51    55  -0.01700 -1.0 2.0
   38    33    51    55  -0.48600  1.0 3.0
   38    40   -43    51   0.06250  1.0 1.0
   38    40   -43    51  -0.01100 -1.0 2.0
   38    40   -43    51   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    53   0.86500  1.0 1.0
   38    40    44    53  -0.17500 -1.0 2.0
   38    40    44    53   0.20800  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.23400  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43   -51    33   0.06250  1.0 1.0
   40    43   -51    33  -0.01100 -1.0 2.0
   40    43   -51    33   0.28050  1.0 3.0
   40    43    51    52   0.37050  1.0 3.0
   40    43    51    55  -2.37750  1.0 1.0
   40    43    51    55  -0.08150 -1.0 2.0
   40    43    51    55   0.59000  1.0 3.0
   40    44    53    54  -0.11600  1.0 1.0
   40    44    53    54  -0.09450 -1.0 2.0
   40    44    53    54   0.21250  1.0 3.0
   41    40    43    51   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    53   0.23400  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    53   3.69350  1.0 1.0
   43    40    44    53  -1.82950 -1.0 2.0
   43    51    55    56  -0.28000  1.0 1.0
   43    51    55    56  -1.16550 -1.0 2.0
   43    51    55    65  -2.75650  1.0 1.0
   43    51    55    65  -1.18150 -1.0 2.0
   43    51    55    65   0.81900  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   3.97050  1.0 1.0
   51    33    38    42   0.62750  1.0 1.0
   51    33    38    42  -0.30950 -1.0 2.0
   51    33    38    42   0.27300  1.0 3.0
   51    55    56    57   1.88100 -1.0 2.0
   51    55    56    58  -0.88150  1.0 1.0
   51    55    56    58   2.95600 -1.0 2.0
   51    55    65    61   3.62500 -1.0 2.0
   51    55    65    66   3.04450 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    65   0.00000  1.0 1.0
   55    56    58    59   0.97550 -1.0 2.0
   55    56    58    60   7.00000 -1.0 2.0
   56    55    65    61   3.62500 -1.0 2.0
   56    55    65    66   2.67200 -1.0 2.0
   56    58   -60    61   7.00000 -1.0 2.0
   56    58    60    62   7.00000 -1.0 2.0
   57    56    58    59   7.00000 -1.0 2.0
   57    56    58    60   7.00000 -1.0 2.0
   58    60    61    65   3.62500 -1.0 2.0
   58    60    62    63   0.70000 -1.0 2.0
   58    60    62    64   0.70000 -1.0 2.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    61   -65    55   3.62500 -1.0 2.0
   60    61    65    66   3.04450 -1.0 2.0
   61    60    62    63   0.70000 -1.0 2.0
   61    60    62    64   0.70000 -1.0 2.0
   65    55    56    57   1.44600  1.0 1.0
   65    55   -56    58  -0.18900  1.0 1.0
   65    55   -56    58   1.70900 -1.0 2.0
   62    60    61    65   3.62500 -1.0 2.0
   44    40    43    51   0.06250  1.0 1.0
   44    40    43    51  -0.01100 -1.0 2.0
   44    40    43    51   0.28050  1.0 3.0
   45    44    53    54   0.19450  1.0 3.0
   46    44    53    54   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   1.11900  1.0 1.0
   42    38    40    43  -1.16350 -1.0 2.0
   42    38    40    43  -0.34150  1.0 3.0
   42    38    40    44   0.62750  1.0 1.0
   42    38    40    44  -0.30950 -1.0 2.0
   42    38    40    44   0.27300  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
   36    30    35    37  10.50000 -1.0 2.0
   56    65    55    51   1.00000 -1.0 2.0
   55    57    56    58   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    58    60    61  10.50000 -1.0 2.0
   55    61    65    66  10.50000 -1.0 2.0
   64    60    62    63   1.00000 -1.0 2.0
END
