* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    222     412
    1     0 S   NP   _N1_     1    29.02822    93.46339   -25.17101
    2     1 S   H    _HN1     2     1.02828    15.12720  -174.59727
    3     1 S   H    _H1_     3     1.02793   113.89779  -105.24695
    4     1 S   H    _H2_     4     1.02948    91.98315     5.85424
    5     1 S   CT   _CA1     5     1.50126   117.87070   120.27524
    6     5 S   HC   _HA1     6     1.09574   105.17361    73.95871
    7     5 S   CO3  _C1_     7     1.53768   112.38316   -46.25201
    8     7 S   O2Z  _O11     8     1.26374   115.01018   -44.30084
    9     7 S   O2Z  _O12     9     1.26229   114.93543   134.66384
   10     5 S   CT   _CB1    10     1.53057   107.39880  -168.11015
   11    10 S   HC   HB11    11     1.09840   109.33535   -49.59043
   12    10 S   HC   HB12    12     1.09810   110.48221    66.99534
   13    10 S   CT   _CG1    13     1.53019   112.63738  -170.52894
   14    13 S   HC   HG11    14     1.09574   110.70902   -66.70515
   15    13 S   HC   HG12    15     1.09668   109.73161    52.55060
   16    13 S   C    _CD1    16     1.51815   112.00056   173.00905
   17    16 S   O    _OE1    17     1.22759   123.18438    10.88213
   18    16 S   N    _N2_    18     1.38629   111.83243  -169.16482
   19    18 S   H    _HN2    19     1.01588   119.05237     0.98834
   20    18 S   CT1  _CA2    20     1.46247   123.37363   176.97897
   21    20 S   HC   _HA2    21     1.09746   109.28112     6.62578
   22    20 S   C    _C2_    22     1.53672   108.85671  -108.86142
   23    22 S   O    _O2_    23     1.23077   122.26518  -149.11685
   24    20 S   CT   _CB2    32     1.53543   111.67043   128.57901
   25    24 S   HC   HB21    33     1.09448   109.19014    56.87645
   26    24 S   HC   HB22    34     1.09154   109.33723   175.79788
   27    22 S   N    _N3_    24     1.38325   113.85422    38.42428
   28    27 S   H    _HN3    25     1.01547   119.60388    -3.36517
   29    24 S   S    _SG2    35     1.82660   110.94572   -63.73516
   30    27 S   CT   _CA3    26     1.45275   123.24614   177.15579
   31    30 S   HC   HA31    27     1.09548   107.51640   -64.67787
   32    30 S   HC   HA32    28     1.09556   107.98891    51.77178
   33    29 S   CT   _C15    36     1.92677   103.33536  -175.47602
   34    30 S   CO3  _C3_    29     1.52964   114.06141   173.77553
   35    34 S   O2Z  _O31    30     1.26382   116.08550    -0.25179
   36    34 S   O2Z  _O32    31     1.26426   114.41602   179.80416
   37    33 S   CM   _C7_    37     1.54533   106.62307   -50.02911
   38    33 S   CT   _C12    57     1.55247   109.41908    78.93717
   39    38 S   HC   _H27    58     1.09807   108.27401  -179.09259
   40    37 S   CMA  _C6_    38     1.36481   120.20216   -77.77879
   41    40 S   OM   _O16    39     1.26097   131.95996   178.94854
   42    37 S   CT   _C16    69     1.51057   118.05639   104.50564
   43    42 S   HC   _H29    70     1.09223   111.46599   -59.43125
   44    42 S   HC   _H30    71     1.09464   112.87353  -179.43386
   45    42 S   HC   _H31    72     1.09472   110.17202    61.29691
   46    40 S   CM   _C4_    40     1.47247   118.10491    -2.05538
   47    46 S   HC   _H21    41     1.08845   119.45359   160.13964
   48    46 S   CM   _C5_    42     1.34581   121.85566   -21.96002
   49    48 S   HC   _H22    43     1.08521   120.16470  -177.06942
   50    33 S   CT   _C14    44     1.60742   109.05556  -165.84548
   51    50 S   CT   _C9_    45     1.55610   111.32623   -61.71206
   52    51 S   HC   _H23    46     1.09915   110.30855  -176.73337
   53    51 S   HC   _H24    47     1.09794   110.99453    68.49798
   54    50 S   CT   _C18    65     1.56201   113.20397   177.90809
   55    54 S   HC   _H35    66     1.09272   113.09143    64.32185
   56    54 S   HC   _H36    67     1.09518   112.86312   -56.80762
   57    54 S   HC   _H37    68     1.09780   110.58507  -176.27159
   58    51 S   CT   _C13    48     1.54404   113.21361   -54.84647
   59    58 S   HC   _H28    49     1.09484   110.75256   -70.40540
   60    58 S   CT   _C11    50     1.52223   110.33401    52.11056
   61    60 S   HC   _H26    51     1.09925   108.05610    68.85844
   62    58 S   OH   _O19    63     1.42419   108.87844   172.08971
   63    62 S   HO   _H38    64     0.97250   107.59075    57.97703
   64    60 S   CT   _C10    52     1.52291   119.06096  -170.27567
   65    64 S   HC   _H25    53     1.09624   111.54115    46.87221
   66    64 S   CO4  _C8_    54     1.52016    99.62032   160.95368
   67    66 S   O    _O17    55     1.22098   126.19541   160.13153
   68    64 S   CT   _C17    59     1.51817   114.23078   -79.51285
   69    68 S   HC   _H32    60     1.09553   111.59274   -55.17374
   70    68 S   HC   _H33    61     1.09547   110.55173  -174.33732
   71    68 S   HC   _H34    62     1.09361   111.26073    66.02365
   72    66 S   OS   _O18    56     1.37716   109.61930   -20.38282
  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  12   5   4   3
  26   2   1   1  16  18   7  10   4   5   2   1   1   6   3  10
   3  12  13   6   5   4   2   1   1  10   5  12   6   2   1   8
   7   6   2   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    50    51    60    72    38    39    54    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    46    48    49    50    51    52    53    58    60    61    64    66    72    38    39    54    55    56    57    42    43    44    45  
   35    36  
   36  
    0  
   40    41    46    47    48    50    51    60    72    38    39    54    42    43    44    45  
   39    68    62    54    42    40    48    50    51    58    59    60    61    64    65    66    67    72  
   50    58    60    61    64    66    72  
   41    46    47    48    49    50    42    43    44    45  
   46    47    48    42  
   43    44    45    46    50  
   44    45  
   45  
    0  
   47    48    49    50    51    54  
   48    49    50  
   49    50    51    52    53    58    54    55    56    57  
   50    51    54  
   51    52    53    58    59    60    72    62    54    55    56    57  
   52    53    58    59    60    61    64    62    63    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    64    65    66    72    68    62    63  
   60    61    64    62    63  
   61    64    65    66    67    72    68    69    70    71    62    63  
   64    65    66    72    68    62  
   63    64  
    0  
   65    66    67    72    68    69    70    71  
   66    67    72    68    69    70    71  
   67    72    68    69    70    71  
   72    68  
   69    70    71    72  
   70    71  
   71  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   340.000  1.080
   48    50   317.000  1.510
   50    51   268.000  1.529
   50    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    38   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    68   268.000  1.529
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    38   320.000  1.410
   38    39   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    50    48    70.00000  112.02700
   33    50    51    58.35000  112.70000
   33    50    54    58.35000  112.70000
   33    38    60    58.35000  112.70000
   33    38    72    50.00000  109.50000
   33    38    39    37.50000  110.70000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    45    35.00000  109.50000
   40    46    47    40.00000  120.50800
   40    46    48    70.00000  117.34000
   46    40    41    65.00000  137.10300
   46    48    49    35.00000  120.00000
   46    48    50    70.00000  124.00000
   48    46    47    35.00000  120.00000
   48    50    51    70.00000  112.02700
   48    50    54    70.00000  112.02700
   50    33    37    70.00000  112.02700
   50    48    49    35.00000  117.00000
   50    51    52    37.50000  110.70000
   50    51    53    37.50000  110.70000
   50    51    58    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    64    58.35000  112.70000
   58    60    38    58.35000  112.70000
   58    62    63    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    63.00000  111.10000
   60    64    68    58.35000  112.70000
   60    38    72    50.00000  109.50000
   60    38    39    37.50000  110.70000
   64    60    61    37.50000  110.70000
   64    66    67    80.00000  120.40000
   64    66    72    81.00000  111.40000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   66    64    65    35.00000  109.50000
   66    72    38    83.00000  116.90000
   72    66    67    83.00000  123.40000
   72    38    39    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    50    58.35000  112.70000
   38    60    61    37.50000  110.70000
   38    60    64    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    64    66    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  109.50000
   54    50    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    37    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    50    48   0.56750  1.0 1.0
   29    33    50    48  -0.07550 -1.0 2.0
   29    33    50    48   0.20000  1.0 3.0
   29    33    50    51   0.44750  1.0 1.0
   29    33    50    51  -0.17800 -1.0 2.0
   29    33    50    51   0.20200  1.0 3.0
   29    33    50    54   0.44750  1.0 1.0
   29    33    50    54  -0.17800 -1.0 2.0
   29    33    50    54   0.20200  1.0 3.0
   29    33    38    60   0.44750  1.0 1.0
   29    33    38    60  -0.17800 -1.0 2.0
   29    33    38    60   0.20200  1.0 3.0
   29    33    38    72   0.56750  1.0 1.0
   29    33    38    72  -0.07550 -1.0 2.0
   29    33    38    72   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    45   0.34800  1.0 3.0
   33    50    51    52   0.15000  1.0 3.0
   33    50    51    53   0.15000  1.0 3.0
   33    50    51    58   0.56750  1.0 1.0
   33    50    51    58  -0.07550 -1.0 2.0
   33    50    51    58   0.20000  1.0 3.0
   33    50    54    55   0.15000  1.0 3.0
   33    50    54    56   0.15000  1.0 3.0
   33    50    54    57   0.15000  1.0 3.0
   37    33    50    48   0.31000  1.0 1.0
   37    33    50    48   0.14700 -1.0 2.0
   37    33    50    48   0.07550  1.0 3.0
   37    33    50    51   0.34400  1.0 1.0
   37    33    50    51   0.09450 -1.0 2.0
   37    33    50    51   0.11100  1.0 3.0
   37    33    50    54   0.34400  1.0 1.0
   37    33    50    54   0.09450 -1.0 2.0
   37    33    50    54   0.11100  1.0 3.0
   37    33    38    60   0.34400  1.0 1.0
   37    33    38    60   0.09450 -1.0 2.0
   37    33    38    60   0.11100  1.0 3.0
   37    33    38    72   0.61850  1.0 1.0
   37    33    38    72  -0.22750 -1.0 2.0
   37    33    38    72   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    40    46    47   7.00000 -1.0 2.0
   37    40   -46    48   7.00000 -1.0 2.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    45   0.00000  1.0 1.0
   40    46    48    49   7.00000 -1.0 2.0
   40    46    48    50   7.00000 -1.0 2.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   46    48   -50    33   0.09850  1.0 1.0
   46    48   -50    33   0.15250 -1.0 2.0
   46    48   -50    33  -0.50650  1.0 3.0
   46    48    50    51   0.09850  1.0 1.0
   46    48    50    51   0.15250 -1.0 2.0
   46    48    50    51  -0.50650  1.0 3.0
   46    48    50    54   0.09850  1.0 1.0
   46    48    50    54   0.15250 -1.0 2.0
   46    48    50    54  -0.50650  1.0 3.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    50    51    52   0.15000  1.0 3.0
   48    50    51    53   0.15000  1.0 3.0
   48    50    51    58   0.34400  1.0 1.0
   48    50    51    58   0.09450 -1.0 2.0
   48    50    51    58   0.11100  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   49    48    50    33   0.00000  1.0 1.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    54   0.00000  1.0 1.0
   50    33   -37    40   0.09850  1.0 1.0
   50    33   -37    40   0.15250 -1.0 2.0
   50    33   -37    40  -0.50650  1.0 3.0
   50    33    37    42   0.46850  1.0 1.0
   50    33    37    42   0.08550 -1.0 2.0
   50    33    37    42   0.09800  1.0 3.0
   50    33    38    60   0.56750  1.0 1.0
   50    33    38    60  -0.07550 -1.0 2.0
   50    33    38    60   0.20000  1.0 3.0
   50    33    38    72   0.62750  1.0 1.0
   50    33    38    72  -0.30950 -1.0 2.0
   50    33    38    72   0.27300  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    51    58    59   0.15000  1.0 3.0
   50    51   -58    60   0.56750  1.0 1.0
   50    51   -58    60  -0.07550 -1.0 2.0
   50    51   -58    60   0.20000  1.0 3.0
   50    51    58    62   0.86500  1.0 1.0
   50    51    58    62  -0.17500 -1.0 2.0
   50    51    58    62   0.20800  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    58    60    61   0.15000  1.0 3.0
   51    58    60    64   0.56750  1.0 1.0
   51    58    60    64  -0.07550 -1.0 2.0
   51    58    60    64   0.20000  1.0 3.0
   51    58    60    38   0.56750  1.0 1.0
   51    58    60    38  -0.07550 -1.0 2.0
   51    58    60    38   0.20000  1.0 3.0
   51    58    62    63  -0.11600  1.0 1.0
   51    58    62    63  -0.09450 -1.0 2.0
   51    58    62    63   0.21250  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    62   0.23400  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    62   0.23400  1.0 3.0
   58    60    64    65   0.15000  1.0 3.0
   58    60    64    66  -0.95700  1.0 1.0
   58    60    64    66  -0.18200 -1.0 2.0
   58    60    64    66   0.29450  1.0 3.0
   58    60    64    68   0.56750  1.0 1.0
   58    60    64    68  -0.07550 -1.0 2.0
   58    60    64    68   0.20000  1.0 3.0
   58    60   -38    33   0.56750  1.0 1.0
   58    60   -38    33  -0.07550 -1.0 2.0
   58    60   -38    33   0.20000  1.0 3.0
   58    60    38    72   0.62750  1.0 1.0
   58    60    38    72  -0.30950 -1.0 2.0
   58    60    38    72   0.27300  1.0 3.0
   58    60    38    39   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    38   0.15000  1.0 3.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.11600  1.0 1.0
   60    58    62    63  -0.09450 -1.0 2.0
   60    58    62    63   0.21250  1.0 3.0
   60    64    66    67   0.30150 -1.0 2.0
   60    64   -66    72   0.36750  1.0 3.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    70   0.15000  1.0 3.0
   60    64    68    71   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66  -0.11250  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    38    33   0.15000  1.0 3.0
   61    60    38    72   0.23400  1.0 3.0
   61    60    38    39   0.15000  1.0 3.0
   64    60    38    33   0.56750  1.0 1.0
   64    60    38    33  -0.07550 -1.0 2.0
   64    60    38    33   0.20000  1.0 3.0
   64    60   -38    72   0.62750  1.0 1.0
   64    60   -38    72  -0.30950 -1.0 2.0
   64    60   -38    72   0.27300  1.0 3.0
   64    60    38    39   0.15000  1.0 3.0
   64    66   -72    38   1.63150  1.0 1.0
   64    66   -72    38   2.92000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    72   0.00000  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   66    64    68    69  -0.11250  1.0 3.0
   66    64    68    70  -0.11250  1.0 3.0
   66    64    68    71  -0.11250  1.0 3.0
   66    72    38    33  -0.25900  1.0 1.0
   66    72    38    33  -0.47000 -1.0 2.0
   66    72    38    33   0.11750  1.0 3.0
   66    72   -38    60  -0.25900  1.0 1.0
   66    72   -38    60  -0.47000 -1.0 2.0
   66    72   -38    60   0.11750  1.0 3.0
   66    72    38    39   0.08050  1.0 3.0
   67    66    72    38   3.00000 -1.0 2.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    50    48   0.34400  1.0 1.0
   38    33    50    48   0.09450 -1.0 2.0
   38    33    50    48   0.11100  1.0 3.0
   38    33   -50    51   0.56750  1.0 1.0
   38    33   -50    51  -0.07550 -1.0 2.0
   38    33   -50    51   0.20000  1.0 3.0
   38    33    50    54   0.56750  1.0 1.0
   38    33    50    54  -0.07550 -1.0 2.0
   38    33    50    54   0.20000  1.0 3.0
   38    60    64    65   0.15000  1.0 3.0
   38    60   -64    66  -0.95700  1.0 1.0
   38    60   -64    66  -0.18200 -1.0 2.0
   38    60   -64    66   0.29450  1.0 3.0
   38    60    64    68   0.56750  1.0 1.0
   38    60    64    68  -0.07550 -1.0 2.0
   38    60    64    68   0.20000  1.0 3.0
   68    64    66    67   0.30150 -1.0 2.0
   68    64    66    72   0.36750  1.0 3.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    64   0.86500  1.0 1.0
   62    58    60    64  -0.17500 -1.0 2.0
   62    58    60    64   0.20800  1.0 3.0
   62    58    60    38   0.86500  1.0 1.0
   62    58    60    38  -0.17500 -1.0 2.0
   62    58    60    38   0.20800  1.0 3.0
   54    50    51    52   0.15000  1.0 3.0
   54    50    51    53   0.15000  1.0 3.0
   54    50    51    58   0.56750  1.0 1.0
   54    50    51    58  -0.07550 -1.0 2.0
   54    50    51    58   0.20000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   64    72    66    67  10.50000 -1.0 2.0
END
