* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    115    165     331
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   _C7_    36     1.80604    98.14668  -178.23764
   34    33 S   Cl   Cl1_    37     1.82698   105.15119  -172.80448
   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   NI   _N5_    38     1.48929   111.14640   -59.96240
   39    38 S   CDX  _C6_    39     1.29789   117.19776   126.74137
   40    39 S   NE   _N7_    40     1.37086   122.05499     1.26610
   41    40 S   H    _H9_    41     1.01582   118.60038  -179.73905
   42    39 S   NE   _N4_    57     1.36940   123.60687  -179.16655
   43    42 S   H    _H8_    58     0.99017   116.57148   179.96044
   44    40 S   CDX  _C8_    42     1.37143   122.71292     1.44726
   45    42 S   CT   _C5_    59     1.43491   120.51054    -0.07913
   46    45 S   HC   _H6_    60     1.09390   107.76808   -59.94889
   47    45 S   HC   _H7_    61     1.09367   107.71940    57.29572
   48    33 S   NI   _N6_    43     1.48956   111.07606    74.45103
   49    44 S   NE   _N8_    44     1.36907   114.23241   178.08572
   50    49 S   H    _H10    45     0.99042   116.65842     0.46098
   51    45 S   CT   _C4_    62     1.49062   111.10746   178.79147
   52    51 S   HC   _H3_    63     1.09479   110.93744   -60.38230
   53    51 S   HC   _H4_    64     1.09533   110.91016    61.19014
   54    51 S   HC   _H5_    65     1.09736   109.78906  -179.57022
   55    49 S   CT   _C9_    46     1.43458   120.45384  -179.55325
   56    55 S   CZ   _C12    47     1.47445   109.46798   -59.96562
   57    56 S   NZ   _N9_    48     1.16105   179.93439  -135.72118
   58    55 S   CT   _C10    49     1.53072   108.44545   179.95577
   59    58 S   HC   _H11    50     1.09654   111.37311   -60.27638
   60    58 S   HC   _H12    51     1.09627   111.42818    59.64819
   61    58 S   HC   _H13    52     1.09677   111.29104  -179.89347
   62    55 S   CT   _C11    53     1.53120   108.80850    60.02999
   63    62 S   HC   _H14    54     1.09695   111.36088    60.20435
   64    62 S   HC   _H15    55     1.09637   111.39438   -59.68079
   65    62 S   HC   _H16    56     1.09664   111.34766   179.85598
  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   6   5   4   3
   8   4   2   1   1   8  11   9   4   9   4   7   6   5   4   3
  12   4   3   2   1   1  10   9   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    49    42  
   38    39    44    48  
   36    37  
   37  
    0  
   39    40    41    44    48    42    43    45  
   40    41    44    48    49    42    43    45    46    47    51  
   41    44    48    49    50    55    42    43    45  
   44    48    49    42  
   43    45    46    47    51    52    53    54    44  
   45    46    47    51  
   48    49    50    55    56    58    62  
   46    47    51    52    53    54  
   47    51    52    53    54  
   51    52    53    54  
   49    50    55  
   50    55    56    57    58    59    60    61    62    63    64    65  
   55    56    58    62  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    63    64    65  
   57    58    59    60    61    62    63    64    65  
   58    62  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    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  -0.175000   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   0.452500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   39   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   40   3.2500   0.1700  -0.360000   2.1120   1.8750   0.051222218  -2.220205820
   41   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   43   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   49   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   50   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.079000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   57   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   58   3.5000   0.0660  -0.110000   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  -0.110000   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
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   245.000  1.781
   33    38   315.000  1.435
   33    48   315.000  1.435
   38    39   650.000  1.285
   39    40   445.000  1.380
   39    42   445.000  1.380
   40    41   434.000  1.010
   40    44   445.000  1.380
   44    48   650.000  1.285
   44    49   445.000  1.380
   49    50   434.000  1.010
   49    55   382.000  1.448
   55    56   390.000  1.470
   55    58   268.000  1.529
   55    62   268.000  1.529
   56    57   650.000  1.157
   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
   42    43   434.000  1.010
   42    45   382.000  1.448
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    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    85.00000  110.65400
   29    33    38    75.00000  111.34000
   29    33    48    75.00000  111.34000
   33    38    39    75.00000  112.28000
   33    48    44    75.00000  112.28000
   38    33    34    85.00000  105.00000
   38    39    40    75.00000  124.36500
   38    39    42    75.00000  124.36500
   39    40    41    35.00000  119.50000
   39    40    44    70.00000  130.80000
   39    42    43    35.00000  119.50000
   39    42    45    50.00000  119.50000
   40    44    48    75.00000  124.36500
   40    44    49    85.00000  116.27000
   44    40    41    35.00000  119.50000
   44    49    50    35.00000  119.50000
   44    49    55    50.00000  119.50000
   48    33    34    85.00000  105.00000
   48    33    38    90.00000  110.40000
   49    44    48    75.00000  124.36500
   49    55    56    80.00000  110.69000
   49    55    58    80.00000  111.61500
   49    55    62    80.00000  111.61500
   55    49    50    35.00000  112.50000
   55    56    57   150.00000  180.00000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   58    55    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    56    58.35000  112.70000
   62    55    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
   42    39    40    85.00000  116.27000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    51    80.00000  111.61500
   45    42    43    35.00000  112.50000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   47    45    46    33.00000  107.80000
   51    45    46    37.50000  110.70000
   51    45    47    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   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
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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  -0.12500  1.0 1.0
   29    33    38    39  -0.12500 -1.0 2.0
   29    33    38    39   0.25000  1.0 3.0
   29    33    48    44  -0.12500  1.0 1.0
   29    33    48    44  -0.12500 -1.0 2.0
   29    33    48    44   0.25000  1.0 3.0
   33    38    39    40   0.32050  1.0 1.0
   33    38    39    40   8.28000 -1.0 2.0
   33    38    39    42   0.32050  1.0 1.0
   33    38    39    42   8.28000 -1.0 2.0
   34    33    38    39  -0.12500  1.0 1.0
   34    33    38    39  -0.12500 -1.0 2.0
   34    33    38    39   0.25000  1.0 3.0
   34    33    48    44  -0.12500  1.0 1.0
   34    33    48    44  -0.12500 -1.0 2.0
   34    33    48    44   0.25000  1.0 3.0
   38    33    48    44  -0.12500  1.0 1.0
   38    33    48    44  -0.12500 -1.0 2.0
   38    33    48    44   0.25000  1.0 3.0
   38    39    40    41   1.50000 -1.0 2.0
   38    39   -40    44   1.00000 -1.0 2.0
   38    39    42    43   1.50000 -1.0 2.0
   38    39    42    45  -0.86000  1.0 1.0
   38    39    42    45   0.84650 -1.0 2.0
   39    40    44    48   1.00000 -1.0 2.0
   39    40    44    49   1.00000 -1.0 2.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    47   0.00000  1.0 1.0
   39    42    45    51   0.38950  1.0 1.0
   39    42    45    51  -0.47050 -1.0 2.0
   39    42    45    51   0.83150  1.0 3.0
   40    39    42    43   1.00000 -1.0 2.0
   40    39    42    45   1.17450  1.0 1.0
   40    39    42    45   0.83550 -1.0 2.0
   40    44   -48    33   0.32050  1.0 1.0
   40    44   -48    33   8.28000 -1.0 2.0
   40    44    49    50   1.00000 -1.0 2.0
   40    44    49    55   1.17450  1.0 1.0
   40    44    49    55   0.83550 -1.0 2.0
   41    40    44    48   1.50000 -1.0 2.0
   41    40    44    49   1.00000 -1.0 2.0
   44    49    55    56  -0.12500  1.0 1.0
   44    49    55    56  -0.12500 -1.0 2.0
   44    49    55    56   0.25000  1.0 3.0
   44    49    55    58   0.38950  1.0 1.0
   44    49    55    58  -0.47050 -1.0 2.0
   44    49    55    58   0.83150  1.0 3.0
   44    49    55    62   0.38950  1.0 1.0
   44    49    55    62  -0.47050 -1.0 2.0
   44    49    55    62   0.83150  1.0 3.0
   48    33   -38    39  -0.12500  1.0 1.0
   48    33   -38    39  -0.12500 -1.0 2.0
   48    33   -38    39   0.25000  1.0 3.0
   48    44    49    50   1.50000 -1.0 2.0
   48    44    49    55  -0.86000  1.0 1.0
   48    44    49    55   0.84650 -1.0 2.0
   49    44    48    33   0.32050  1.0 1.0
   49    44    48    33   8.28000 -1.0 2.0
   49    55    56    57   0.00000  1.0 1.0
   49    55    58    59   0.22950  1.0 3.0
   49    55    58    60   0.22950  1.0 3.0
   49    55    58    61   0.22950  1.0 3.0
   49    55    62    63   0.22950  1.0 3.0
   49    55    62    64   0.22950  1.0 3.0
   49    55    62    65   0.22950  1.0 3.0
   50    49    55    56  -0.12500  1.0 1.0
   50    49    55    56  -0.12500 -1.0 2.0
   50    49    55    56   0.25000  1.0 3.0
   50    49    55    58   0.00000  1.0 1.0
   50    49    55    62   0.00000  1.0 1.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   58    55    56    57   0.00000  1.0 1.0
   58    55    62    63   0.15000  1.0 3.0
   58    55    62    64   0.15000  1.0 3.0
   58    55    62    65   0.15000  1.0 3.0
   62    55    56    57   0.00000  1.0 1.0
   62    55    58    59   0.15000  1.0 3.0
   62    55    58    60   0.15000  1.0 3.0
   62    55    58    61   0.15000  1.0 3.0
   42    39    40    41   1.00000 -1.0 2.0
   42    39    40    44   1.00000 -1.0 2.0
   42    45    51    52   0.22950  1.0 3.0
   42    45    51    53   0.22950  1.0 3.0
   42    45    51    54   0.22950  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    51   0.00000  1.0 1.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    53   0.15000  1.0 3.0
   47    45    51    54   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
   36    30    35    37  10.50000 -1.0 2.0
   40    42    39    38  10.50000 -1.0 2.0
   41    39    40    44   1.00000 -1.0 2.0
   40    49    44    48  10.50000 -1.0 2.0
   50    44    49    55   1.00000 -1.0 2.0
   43    39    42    45   1.00000 -1.0 2.0
END
