* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    218     407
    1     0 S   NP   _N1_     1    29.08785    92.88066   -22.36237
    2     1 S   H    _HN1     2     1.02965    94.09619    28.98187
    3     1 S   H    _H1_     3     1.02828    19.52127   161.56171
    4     1 S   H    _H2_     4     1.02773    99.34250   -80.37305
    5     1 S   CT   _CA1     5     1.50148   129.95370   149.92456
    6     5 S   HC   _HA1     6     1.09580   105.19702    63.27558
    7     5 S   CO3  _C1_     7     1.53781   112.43573   -56.77525
    8     7 S   O2Z  _O11     8     1.26352   115.01621   -41.78284
    9     7 S   O2Z  _O12     9     1.26253   114.91712   137.28731
   10     5 S   CT   _CB1    10     1.53077   107.36462  -178.92626
   11    10 S   HC   HB11    11     1.09820   109.17736   -51.39036
   12    10 S   HC   HB12    12     1.09823   110.42799    65.07685
   13    10 S   CT   _CG1    13     1.53011   112.79267  -172.61249
   14    13 S   HC   HG11    14     1.09596   110.30069   -64.90941
   15    13 S   HC   HG12    15     1.09642   110.12581    54.33932
   16    13 S   C    _CD1    16     1.51792   112.25797   174.47089
   17    16 S   O    _OE1    17     1.22742   123.23370    -7.74808
   18    16 S   N    _N2_    18     1.38682   111.74127   172.94495
   19    18 S   H    _HN2    19     1.01582   119.12360     1.33442
   20    18 S   CT1  _CA2    20     1.46057   123.18738  -179.10256
   21    20 S   HC   _HA2    21     1.09577   109.23717    -7.20394
   22    20 S   C    _C2_    22     1.53456   108.97012  -122.42038
   23    22 S   O    _O2_    23     1.23043   122.03588  -148.49892
   24    20 S   CT   _CB2    32     1.53450   111.78736   115.00526
   25    24 S   HC   HB21    33     1.09659   109.55039    64.20115
   26    24 S   HC   HB22    34     1.09576   110.81355  -178.57207
   27    22 S   N    _N3_    24     1.38452   113.57173    39.06090
   28    27 S   H    _HN3    25     1.01511   118.93344    -0.79254
   29    24 S   S    _SG2    35     1.82861   114.88616   -55.52127
   30    27 S   CT   _CA3    26     1.45446   123.47146   174.86832
   31    30 S   HC   HA31    27     1.09522   109.25804    24.17757
   32    30 S   HC   HA32    28     1.09496   107.12520   141.19990
   33    29 S   CT   _C18    36     1.82590    99.98980   -66.86029
   34    33 S   HC   _H20    37     1.09407   107.37824   -59.38998
   35    33 S   HC   _H21    38     1.09342   109.37775    58.13506
   36    30 S   CO3  _C3_    29     1.52926   113.07266   -99.30043
   37    36 S   O2Z  _O31    30     1.26405   115.39764   -44.54883
   38    36 S   O2Z  _O32    31     1.26352   114.98701   136.35985
   39    33 S   CT   _C16    39     1.53002   110.96718   179.63096
   40    39 S   HC   _H7_    40     1.09759   112.03874    41.96033
   41    39 S   CO4  _C17    41     1.50975   112.99874   -80.13320
   42    41 S   O    _O33    42     1.22085   126.55379    41.78787
   43    41 S   OS   _O34    43     1.36397   109.69557  -139.83746
   44    43 S   CT   _C10    44     1.44189   110.81329    -0.91279
   45    44 S   HC   _H5_    45     1.09786   107.04320   -96.51589
   46    44 S   CT   _C9_    46     1.53801   107.95827   143.81448
   47    46 S   HC   _H4_    47     1.10070   108.15284   -43.05249
   48    39 S   CT   _C11    63     1.53409   111.79716   166.11297
   49    48 S   HC   _H6_    64     1.09915   109.20128    35.82142
   50    46 S   CM   _C5_    48     1.51630   114.80326    75.18889
   51    50 S   CM   _C6_    49     1.33902   111.43419   143.40503
   52    51 S   HC   _H11    50     1.08096   124.75456   176.93951
   53    50 S   CT   _C4_    68     1.48846   123.16396   -40.42668
   54    53 S   HC   _H8_    69     1.09437   110.45332   -54.83724
   55    53 S   HC   _H9_    70     1.09520   111.53661  -174.45122
   56    53 S   HC   _H10    71     1.09407   110.76391    65.79825
   57    51 S   CT   _C7_    51     1.49089   111.89457    -0.24866
   58    57 S   HC   _H12    52     1.09653   109.15702   101.64607
   59    57 S   HC   _H13    53     1.09322   112.31672  -139.04839
   60    46 S   CT   _C8_    54     1.55451   116.54795  -165.67140
   61    60 S   HC   _H3_    55     1.09915   108.95474    95.30429
   62    60 S   CM   _C14    56     1.52544   114.05968   -23.86111
   63    62 S   CT   _C13    57     1.51094   114.96149    83.96721
   64    63 S   HC   _H16    58     1.09715   109.71565    42.37990
   65    63 S   HC   _H17    59     1.09800   110.20441   157.78283
   66    62 S   CM   _C15    65     1.34380   125.18960   -97.32024
   67    66 S   HC   _H18    66     1.08365   122.52462     1.83259
   68    66 S   HC   _H19    67     1.08569   121.10666  -179.44433
   69    63 S   CT   _C12    60     1.52727   113.26729   -80.81269
   70    69 S   HC   _H14    61     1.09675   107.75356   179.03693
   71    69 S   HC   _H15    62     1.09820   109.17473   -66.24237
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  16   7  19   8  10
   4  12  11   5   5   2   1   1   7   4   3   9   3   9   8   5
   4   3   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    69    70    71    48    49  
   41    42    43    44    69    48    49  
   42    43    44    45    46    69    48    49  
   43    44    48  
   44    45    46    47    50    60    69    48    49  
   45    46    47    50    51    57    60    61    62    63    69    70    71    48    49    53  
   46    47    50    60    69    48    49  
   47    50    51    52    57    58    59    60    61    62    63    69    48    49    66    53    54    55    56  
   50    51    57    60    61    62    48    53  
   49    50    60    62    63    64    65    69    70    71  
   63    69    70    71  
   51    52    57    58    59    60    61    62    53    54    55    56  
   52    57    58    59    60    61    62    53    54    55    56  
   57    58    59    60    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    60    61    62    63    66  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    69    66    67    68  
   62    63    66  
   63    64    65    69    70    71    66    67    68  
   64    65    69    70    71    66    67    68  
   65    69    70    71    66  
   69    70    71    66  
   67    68    69  
   68  
    0  
   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   0.047500   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    60   268.000  1.529
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   317.000  1.510
   62    63   317.000  1.510
   62    66   549.000  1.340
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    48   268.000  1.529
   48    49   340.000  1.090
   66    67   340.000  1.080
   66    68   340.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    69    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    60    58.35000  112.70000
   44    48    69    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    53    65.00000  117.92700
   46    60    57    58.35000  112.70000
   46    60    61    37.50000  110.70000
   46    60    62    70.00000  112.02700
   50    46    47    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    70.00000  112.02700
   57    51    52    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    46    47    37.50000  110.70000
   60    46    50    70.00000  112.02700
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    65.00000  117.92700
   60    62    66    70.00000  124.00000
   62    60    61    35.00000  109.50000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    69    70.00000  112.02700
   62    66    67    35.00000  120.00000
   62    66    68    35.00000  120.00000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    48    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    48    49    37.50000  110.70000
   71    69    70    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    69    70    37.50000  110.70000
   48    69    71    37.50000  110.70000
   66    62    63    70.00000  124.00000
   68    66    67    35.00000  117.00000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    69   0.56750  1.0 1.0
   33    39    48    69  -0.07550 -1.0 2.0
   33    39    48    69   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    69   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    69  -0.95700  1.0 1.0
   41    39    48    69  -0.18200 -1.0 2.0
   41    39    48    69   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    60   0.62750  1.0 1.0
   43    44    46    60  -0.30950 -1.0 2.0
   43    44    46    60   0.27300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    69   0.62750  1.0 1.0
   43    44    48    69  -0.30950 -1.0 2.0
   43    44    48    69   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    53   0.46850  1.0 1.0
   44    46    50    53   0.08550 -1.0 2.0
   44    46    50    53   0.09800  1.0 3.0
   44    46    60    57   0.56750  1.0 1.0
   44    46    60    57  -0.07550 -1.0 2.0
   44    46    60    57   0.20000  1.0 3.0
   44    46    60    61   0.15000  1.0 3.0
   44    46    60    62   0.34400  1.0 1.0
   44    46    60    62   0.09450 -1.0 2.0
   44    46    60    62   0.11100  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    60   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    69   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    69   0.56750  1.0 1.0
   46    44    48    69  -0.07550 -1.0 2.0
   46    44    48    69   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   7.00000 -1.0 2.0
   46    50   -51    57   7.00000 -1.0 2.0
   46    50    53    54   0.34800  1.0 3.0
   46    50    53    55   0.34800  1.0 3.0
   46    50    53    56   0.34800  1.0 3.0
   46    60    62    63   0.46850  1.0 1.0
   46    60    62    63   0.08550 -1.0 2.0
   46    60    62    63   0.09800  1.0 3.0
   46    60    62    66   0.09850  1.0 1.0
   46    60    62    66   0.15250 -1.0 2.0
   46    60    62    66  -0.50650  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    53   0.34800  1.0 3.0
   47    46    60    57   0.15000  1.0 3.0
   47    46    60    61   0.15000  1.0 3.0
   47    46    60    62   0.15000  1.0 3.0
   50    46   -60    57   0.34400  1.0 1.0
   50    46   -60    57   0.09450 -1.0 2.0
   50    46   -60    57   0.11100  1.0 3.0
   50    46    60    61   0.15000  1.0 3.0
   50    46    60    62   0.31000  1.0 1.0
   50    46    60    62   0.14700 -1.0 2.0
   50    46    60    62   0.07550  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51   -57    60   0.09850  1.0 1.0
   50    51   -57    60   0.15250 -1.0 2.0
   50    51   -57    60  -0.50650  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57   -60    46   0.34400  1.0 1.0
   51    57   -60    46   0.09450 -1.0 2.0
   51    57   -60    46   0.11100  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.31000  1.0 1.0
   51    57    60    62   0.14700 -1.0 2.0
   51    57    60    62   0.07550  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   57    60    62    63   0.46850  1.0 1.0
   57    60    62    63   0.08550 -1.0 2.0
   57    60    62    63   0.09800  1.0 3.0
   57    60    62    66   0.09850  1.0 1.0
   57    60    62    66   0.15250 -1.0 2.0
   57    60    62    66  -0.50650  1.0 3.0
   58    57    60    46   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   59    57    60    46   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   60    46   -50    51   0.09850  1.0 1.0
   60    46   -50    51   0.15250 -1.0 2.0
   60    46   -50    51  -0.50650  1.0 3.0
   60    46    50    53   0.46850  1.0 1.0
   60    46    50    53   0.08550 -1.0 2.0
   60    46    50    53   0.09800  1.0 3.0
   60    62    63    64   0.34800  1.0 3.0
   60    62    63    65   0.34800  1.0 3.0
   60    62    63    69   0.46850  1.0 1.0
   60    62    63    69   0.08550 -1.0 2.0
   60    62    63    69   0.09800  1.0 3.0
   60    62    66    67   7.00000 -1.0 2.0
   60    62    66    68   7.00000 -1.0 2.0
   61    60    62    63   0.34800  1.0 3.0
   61    60    62    66   0.00000  1.0 1.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    71   0.15000  1.0 3.0
   62    63    69    48   0.34400  1.0 1.0
   62    63    69    48   0.09450 -1.0 2.0
   62    63    69    48   0.11100  1.0 3.0
   63    62    66    67   7.00000 -1.0 2.0
   63    62    66    68   7.00000 -1.0 2.0
   63    69    48    39   0.56750  1.0 1.0
   63    69    48    39  -0.07550 -1.0 2.0
   63    69    48    39   0.20000  1.0 3.0
   63    69    48    44   0.56750  1.0 1.0
   63    69    48    44  -0.07550 -1.0 2.0
   63    69    48    44   0.20000  1.0 3.0
   63    69    48    49   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   70    69    48    39   0.15000  1.0 3.0
   70    69    48    44   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   71    69    48    39   0.15000  1.0 3.0
   71    69    48    44   0.15000  1.0 3.0
   71    69    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    60   0.56750  1.0 1.0
   48    44    46    60  -0.07550 -1.0 2.0
   48    44    46    60   0.20000  1.0 3.0
   66    62    63    64   0.00000  1.0 1.0
   66    62    63    65   0.00000  1.0 1.0
   66    62    63    69   0.09850  1.0 1.0
   66    62    63    69   0.15250 -1.0 2.0
   66    62    63    69  -0.50650  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   60    63    62    66   1.10000 -1.0 2.0
   67    68    66    62   1.10000 -1.0 2.0
END
