* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    131    211     390
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107   101.80781   -44.26489
    3     1 S   H    _H1_     3     1.02096    74.71948    62.15579
    4     1 S   H    _H2_     4     1.02151    39.55403  -149.36793
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   S    _S1_    36     2.05076   101.80836   -79.97830
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C15    37     1.83428   101.05482   -90.04042
   38    37 S   C    _C14    38     1.53353   108.09321  -180.00000
   39    38 S   O    _O34    39     1.23301   121.18765    82.89092
   40    37 S   N    _N4_    60     1.48556   111.90812    57.87426
   41    37 S   CT   _C16    67     1.54567   106.05519   -65.08088
   42    41 S   HC   _H13    68     1.08261   108.99140    64.61905
   43    41 S   HC   _H14    69     1.08326   108.97786   -56.36726
   44    38 S   N    _N5_    40     1.38408   115.43441   -94.20853
   45    40 S   CT   _C4_    61     1.46510   118.56505   -99.62174
   46    45 S   HC   _H5_    62     1.09305   110.10773   -89.95296
   47    45 S   HC   _H6_    63     1.09341   110.21298   149.99187
   48    45 S   HC   _H7_    64     1.09354   110.16297    30.01636
   49    41 S   OH   _O35    70     1.40999   107.77106  -175.83242
   50    49 S   HO   _H15    71     0.97349   107.45428    59.93784
   51    44 S   CT   _C13    41     1.47127   123.24119  -168.80806
   52    51 S   HC   _H4_    42     1.09837   105.82834    61.70561
   53    51 S   CM   _C8_    43     1.50936   101.92978   176.39989
   54    53 S   CM   _C9_    44     1.33903   123.07356   148.77465
   55    54 S   HC   _H10    45     1.08382   121.72014  -175.16738
   56    53 S   CT   _C7_    54     1.49494   109.27007   -20.52954
   57    56 S   HC   _H8_    55     1.09465   113.91387   155.74527
   58    56 S   HC   _H9_    56     1.09833   108.64678   -84.02591
   59    54 S   CM   _C10    46     1.44166   119.81759    -0.43386
   60    59 S   HC   _H11    47     1.08400   118.08711   169.63411
   61    44 S   CT   _C6_    57     1.46183   124.29929     8.72675
   62    59 S   CM   _C11    48     1.34250   120.88511   -15.12712
   63    62 S   HC   _H12    49     1.08654   119.13083  -175.52477
   64    61 S   C    _C5_    58     1.51740   112.09756   -37.44993
   65    64 S   O    _O33    59     1.23373   120.25436  -157.96376
   66    61 S   SH   _S2_    65     1.83260   112.56027    85.40980
   67    66 S   HS   _H17    66     1.33828    95.36028   175.27951
   68    51 S   CT   _C12    50     1.54563   115.94596   -60.95789
   69    68 S   HC   _H3_    51     1.09597   111.81132   -24.85398
   70    68 S   OH   _O36    52     1.42927   109.06674    94.28599
   71    70 S   HO   _H16    53     0.96833   106.33009  -178.24053
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  17  16   5  14   7   3   2  16   6   3   2   1
   1   1  17   8  14  10   4   9   4   3   6   3   5   5   3   3
   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    64    40    45    41    42    43    49  
   35    36  
   36  
    0  
   38    39    44    51    61    64    65    40    45    46    47    48    41    42    43    49    50  
   39    44    51    52    53    68    56    61    64    40    45    66    41    42    43    49  
   44    51    61    40    41  
   45    46    47    48    66    41    42    43    49    44    56    61    64    65  
   42    43    49    50    44    45    64  
   43    49    50  
   49    50  
   51    52    53    54    62    68    69    70    56    57    58    61    64    65    66    67  
   46    47    48    61    64    65  
   47    48    64  
   48    64  
   64  
   50  
    0  
   52    53    54    55    59    62    63    68    69    70    71    56    57    58    61    64    66  
   53    54    62    68    69    70    56    61  
   54    55    59    60    62    68    69    70    56    57    58    61    64    66  
   55    59    60    62    63    68    56    57    58    61  
   59    60    62    56  
   57    58    61    64    65    66    67    59    68  
   58    61    64    66  
   61    64    66  
   60    62    63    68    69    70  
   62    63    68  
   64    65    66    67    68  
   63    68    69    70    71  
   68    69    70  
   65    66    67  
   66  
   67  
    0  
   69    70    71  
   70    71  
   71  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   45   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   67   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   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   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    40   337.000  1.449
   37    41   268.000  1.529
   38    39   570.000  1.229
   38    44   490.000  1.335
   44    51   337.000  1.449
   44    61   337.000  1.449
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    68   268.000  1.529
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    59   380.000  1.444
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   340.000  1.080
   62    68   317.000  1.510
   68    69   340.000  1.090
   68    70   320.000  1.410
   70    71   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    64   317.000  1.522
   61    66   222.000  1.810
   64    65   570.000  1.229
   64    40   490.000  1.335
   40    45   337.000  1.449
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   66    67   274.000  1.336
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   320.000  1.410
   49    50   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    40    80.00000  108.62000
   33    37    41    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    44    70.00000  116.60000
   37    40    64    50.00000  121.90000
   37    40    45    50.00000  118.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    49    50.00000  109.50000
   38    44    51    50.00000  121.90000
   38    44    61    50.00000  121.90000
   44    38    39    80.00000  122.90000
   44    51    52    35.00000  109.50000
   44    51    53    75.00000  110.78400
   44    51    68    70.00000  110.72300
   44    61    56    70.00000  110.72300
   44    61    64    75.00000  110.24000
   44    61    66    80.00000  108.62000
   51    53    54    70.00000  124.00000
   51    53    56    65.00000  117.92700
   51    68    62    70.00000  112.02700
   51    68    69    37.50000  110.70000
   51    68    70    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    59    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    70.00000  112.02700
   54    59    60    35.00000  120.00000
   54    59    62    70.00000  123.01800
   59    54    55    35.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    68    70.00000  124.00000
   62    59    60    35.00000  120.00000
   62    68    69    35.00000  109.50000
   62    68    70    90.00000  110.39200
   68    51    52    37.50000  110.70000
   68    51    53    70.00000  112.02700
   68    62    63    35.00000  117.00000
   68    70    71    55.00000  108.50000
   70    68    69    35.00000  109.50000
   56    53    54    70.00000  124.00000
   56    61    64    63.00000  111.10000
   56    61    66    50.00000  108.60000
   58    56    57    33.00000  107.80000
   61    44    51    50.00000  118.00000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    80.00000  120.40000
   61    64    40    70.00000  116.60000
   61    66    67    44.00000   96.00000
   64    40    45    50.00000  121.90000
   40    37    38    75.00000  110.24000
   40    64    65    80.00000  122.90000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   66    61    64    70.00000  113.82000
   41    37    38    63.00000  111.10000
   41    37    40    70.00000  110.72300
   41    49    50    55.00000  108.50000
   43    41    42    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    43    35.00000  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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    40   0.00000  1.0 1.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    44   0.00000  1.0 1.0
   33    37    40    64  -0.42300  1.0 1.0
   33    37    40    64  -0.07000 -1.0 2.0
   33    37    40    64   0.04150  1.0 3.0
   33    37    40    45   0.17850 -1.0 2.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    49   0.56750  1.0 1.0
   33    37    41    49  -0.07550 -1.0 2.0
   33    37    41    49   0.20000  1.0 3.0
   37    38    44    51   1.49850  1.0 1.0
   37    38    44    51   1.53950 -1.0 2.0
   37    38    44    61   1.49850  1.0 1.0
   37    38    44    61   1.53950 -1.0 2.0
   37    40    45    46   0.00000  1.0 1.0
   37    40    45    47   0.00000  1.0 1.0
   37    40    45    48   0.00000  1.0 1.0
   37    41    49    50  -0.11600  1.0 1.0
   37    41    49    50  -0.09450 -1.0 2.0
   37    41    49    50   0.21250  1.0 3.0
   38    37    40    64  -0.42300  1.0 1.0
   38    37    40    64  -0.07000 -1.0 2.0
   38    37    40    64   0.04150  1.0 3.0
   38    37    40    45   0.17850 -1.0 2.0
   38    37    41    42  -0.11250  1.0 3.0
   38    37    41    43  -0.11250  1.0 3.0
   38    37    41    49  -0.09450  1.0 1.0
   38    37    41    49  -1.12950 -1.0 2.0
   38    37    41    49   0.54000  1.0 3.0
   38    44    51    52   0.00000  1.0 1.0
   38    44    51    53  -0.19250  1.0 1.0
   38    44    51    53  -0.00500 -1.0 2.0
   38    44    51    53   0.17000  1.0 3.0
   38    44    51    68  -0.43950  1.0 1.0
   38    44    51    68  -0.08100 -1.0 2.0
   38    44    51    68   0.03350  1.0 3.0
   38    44    61    56  -0.43950  1.0 1.0
   38    44    61    56  -0.08100 -1.0 2.0
   38    44    61    56   0.03350  1.0 3.0
   38    44   -61    64  -0.42300  1.0 1.0
   38    44   -61    64  -0.07000 -1.0 2.0
   38    44   -61    64   0.04150  1.0 3.0
   38    44    61    66  -0.42300  1.0 1.0
   38    44    61    66  -0.07000 -1.0 2.0
   38    44    61    66   0.04150  1.0 3.0
   39    38    44    51   3.04450 -1.0 2.0
   39    38    44    61   3.04450 -1.0 2.0
   44    51    53    54   0.62150  1.0 1.0
   44    51    53    54   0.42850 -1.0 2.0
   44    51    53    54  -0.68200  1.0 3.0
   44    51   -53    56   0.09700  1.0 1.0
   44    51   -53    56   0.15600 -1.0 2.0
   44    51   -53    56  -0.50800  1.0 3.0
   44    51    68    62   0.21700  1.0 1.0
   44    51    68    62   0.68550 -1.0 2.0
   44    51    68    62  -0.27950  1.0 3.0
   44    51    68    69   0.15000  1.0 3.0
   44    51    68    70   2.76900  1.0 1.0
   44    51    68    70  -0.24350 -1.0 2.0
   44    51    68    70  -0.78250  1.0 3.0
   44    61    64    65   0.30150 -1.0 2.0
   44    61    64    40   0.00000  1.0 1.0
   44    61    66    67   0.00000  1.0 1.0
   51    44   -61    56  -0.05900 -1.0 2.0
   51    44    61    64   0.17850 -1.0 2.0
   51    44    61    66   0.17850 -1.0 2.0
   51    53    54    55   7.00000 -1.0 2.0
   51    53    54    59   7.00000 -1.0 2.0
   51    53    56    57   0.34800  1.0 3.0
   51    53    56    58   0.34800  1.0 3.0
   51    53   -56    61   0.46850  1.0 1.0
   51    53   -56    61   0.08550 -1.0 2.0
   51    53   -56    61   0.09800  1.0 3.0
   51    68    70    71  -0.11600  1.0 1.0
   51    68    70    71  -0.09450 -1.0 2.0
   51    68    70    71   0.21250  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    56   0.34800  1.0 3.0
   52    51    68    62   0.15000  1.0 3.0
   52    51    68    69   0.15000  1.0 3.0
   52    51    68    70   0.23400  1.0 3.0
   53    51    68    62   0.31000  1.0 1.0
   53    51    68    62   0.14700 -1.0 2.0
   53    51    68    62   0.07550  1.0 3.0
   53    51    68    69   0.15000  1.0 3.0
   53    51    68    70   1.05650  1.0 1.0
   53    51    68    70   0.15600 -1.0 2.0
   53    51    68    70   0.53150  1.0 3.0
   53    54    59    60  -0.18600  1.0 3.0
   53    54   -59    62   0.28850  1.0 1.0
   53    54   -59    62   2.61350 -1.0 2.0
   53    54   -59    62   0.78400  1.0 3.0
   53    56   -61    44   0.21700  1.0 1.0
   53    56   -61    44   0.68550 -1.0 2.0
   53    56   -61    44  -0.27950  1.0 3.0
   53    56    61    64  -0.98800  1.0 1.0
   53    56    61    64   0.48800 -1.0 2.0
   53    56    61    64   0.76800  1.0 3.0
   53    56    61    66   0.56750  1.0 1.0
   53    56    61    66  -0.07550 -1.0 2.0
   53    56    61    66   0.20000  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    61   0.09850  1.0 1.0
   54    53    56    61   0.15250 -1.0 2.0
   54    53    56    61  -0.50650  1.0 3.0
   54    59    62    63   7.00000 -1.0 2.0
   54    59    62    68   7.00000 -1.0 2.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    62  -0.18600  1.0 3.0
   59    62   -68    51   0.09850  1.0 1.0
   59    62   -68    51   0.15250 -1.0 2.0
   59    62   -68    51  -0.50650  1.0 3.0
   59    62    68    69   0.00000  1.0 1.0
   59    62    68    70   0.67800  1.0 1.0
   59    62    68    70   0.47050 -1.0 2.0
   59    62    68    70  -0.62500  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    68   7.00000 -1.0 2.0
   62    68    70    71  -0.07800  1.0 1.0
   62    68    70    71  -0.21500 -1.0 2.0
   62    68    70    71  -0.03150  1.0 3.0
   63    62    68    51   0.00000  1.0 1.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    70   0.00000  1.0 1.0
   68    51   -53    54   0.09850  1.0 1.0
   68    51   -53    54   0.15250 -1.0 2.0
   68    51   -53    54  -0.50650  1.0 3.0
   68    51    53    56   0.46850  1.0 1.0
   68    51    53    56   0.08550 -1.0 2.0
   68    51    53    56   0.09800  1.0 3.0
   69    68    70    71   0.19450  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    59   7.00000 -1.0 2.0
   56    61    64    65   0.30150 -1.0 2.0
   56    61    64    40   1.39750  1.0 1.0
   56    61    64    40  -0.07950 -1.0 2.0
   56    61    64    40  -0.18750  1.0 3.0
   56    61    66    67  -0.37950  1.0 1.0
   56    61    66    67  -0.15600 -1.0 2.0
   56    61    66    67   0.18750  1.0 3.0
   57    56    61    44   0.15000  1.0 3.0
   57    56    61    64  -0.11250  1.0 3.0
   57    56    61    66   0.15000  1.0 3.0
   58    56    61    44   0.15000  1.0 3.0
   58    56    61    64  -0.11250  1.0 3.0
   58    56    61    66   0.15000  1.0 3.0
   61    44    51    52   0.00000  1.0 1.0
   61    44   -51    53   0.17850 -1.0 2.0
   61    44    51    68  -0.05900 -1.0 2.0
   61    64   -40    37   1.49850  1.0 1.0
   61    64   -40    37   1.53950 -1.0 2.0
   61    64    40    45   1.49850  1.0 1.0
   61    64    40    45   1.53950 -1.0 2.0
   64    61    66    67   0.00000  1.0 1.0
   64    40    45    46   0.00000  1.0 1.0
   64    40    45    47   0.00000  1.0 1.0
   64    40    45    48   0.00000  1.0 1.0
   65    64    40    37   3.04450 -1.0 2.0
   65    64    40    45   3.04450 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37   -38    44   0.00000  1.0 1.0
   40    37    41    42   0.15000  1.0 3.0
   40    37    41    43   0.15000  1.0 3.0
   40    37    41    49   2.76900  1.0 1.0
   40    37    41    49  -0.24350 -1.0 2.0
   40    37    41    49  -0.78250  1.0 3.0
   66    61    64    65   0.30150 -1.0 2.0
   66    61    64    40   0.00000  1.0 1.0
   41    37    38    39   0.30150 -1.0 2.0
   41    37    38    44   1.39750  1.0 1.0
   41    37    38    44  -0.07950 -1.0 2.0
   41    37    38    44  -0.18750  1.0 3.0
   41    37    40    64  -0.43950  1.0 1.0
   41    37    40    64  -0.08100 -1.0 2.0
   41    37    40    64   0.03350  1.0 3.0
   41    37    40    45  -0.05900 -1.0 2.0
   42    41    49    50   0.19450  1.0 3.0
   43    41    49    50   0.19450  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
   37    44    38    39  10.50000 -1.0 2.0
   61    38    44    51   1.00000 -1.0 2.0
   51    56    53    54   1.10000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   54    60    59    62   1.10000 -1.0 2.0
   68    63    62    59   1.10000 -1.0 2.0
   61    40    64    65  10.50000 -1.0 2.0
   45    64    40    37   1.00000 -1.0 2.0
END
