* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    230     429
    1     0 S   NP   _N1_     1    29.15500    92.79259   -22.47922
    2     1 S   H    _HN1     2     1.02773   100.70386   -78.02712
    3     1 S   H    _H1_     3     1.02966    93.64030    31.41334
    4     1 S   H    _H2_     4     1.02828    18.91828   167.41196
    5     1 S   CT   _CA1     5     1.50148   129.07627   151.40916
    6     5 S   HC   _HA1     6     1.09580   105.19627    64.61713
    7     5 S   CO3  _C1_     7     1.53780   112.43474   -55.42755
    8     7 S   O2Z  _O11     8     1.26351   115.01665   -41.82946
    9     7 S   O2Z  _O12     9     1.26253   114.91652   137.24262
   10     5 S   CT   _CB1    10     1.53080   107.36611  -177.59149
   11    10 S   HC   HB11    11     1.09820   109.17177   -51.45921
   12    10 S   HC   HB12    12     1.09823   110.42993    65.00627
   13    10 S   CT   _CG1    13     1.53011   112.79323  -172.68732
   14    13 S   HC   HG11    14     1.09597   110.29132   -64.92243
   15    13 S   HC   HG12    15     1.09642   110.12938    54.31843
   16    13 S   C    _CD1    16     1.51795   112.26633   174.44353
   17    16 S   O    _OE1    17     1.22743   123.23030    -8.06828
   18    16 S   N    _N2_    18     1.38685   111.73507   172.65735
   19    18 S   H    _HN2    19     1.01582   119.11515     1.36859
   20    18 S   CT1  _CA2    20     1.46056   123.20684  -179.09756
   21    20 S   HC   _HA2    21     1.09577   109.25210    -7.04523
   22    20 S   C    _C2_    22     1.53439   108.92651  -122.21616
   23    22 S   O    _O2_    23     1.23040   122.06798  -147.91750
   24    20 S   CT   _CB2    32     1.53448   111.79191   115.18958
   25    24 S   HC   HB21    33     1.09658   109.56679    64.12022
   26    24 S   HC   HB22    34     1.09576   110.79076  -178.64983
   27    22 S   N    _N3_    24     1.38461   113.54249    39.67028
   28    27 S   H    _HN3    25     1.01508   118.94462    -0.76361
   29    24 S   S    _SG2    35     1.82879   114.91063   -55.64044
   30    27 S   CT   _CA3    26     1.45440   123.41279   174.73136
   31    30 S   HC   HA31    27     1.09526   109.18101    25.63373
   32    30 S   HC   HA32    28     1.09493   107.14352   142.65691
   33    29 S   CT   _C18    36     1.82763    99.95633   -66.30063
   34    33 S   HC   _H20    37     1.09456   107.10592   -59.38590
   35    33 S   HC   _H21    38     1.09270   108.82967    58.66796
   36    30 S   CO3  _C3_    29     1.52937   113.13393   -97.78066
   37    36 S   O2Z  _O31    30     1.26402   115.43492   -43.51486
   38    36 S   O2Z  _O32    31     1.26357   114.96160   137.39861
   39    33 S   CT   _C17    39     1.52703   111.21512  -179.69739
   40    39 S   HC   _H5_    40     1.09923   110.33975    42.54206
   41    39 S   CO4  _C16    41     1.50953   114.10806   -77.56862
   42    41 S   O    _O36    42     1.22030   126.92561    33.15245
   43    41 S   OS   _O35    43     1.36524   109.15891  -149.19828
   44    43 S   CT   _C12    44     1.44185   110.49547     3.70592
   45    44 S   HC   _H4_    45     1.09759   106.95148   -98.09206
   46    44 S   CT   _C13    46     1.52564   106.74795   144.65469
   47    46 S   HC   _H16    47     1.09872   110.41185   -45.81675
   48    46 S   HC   _H17    48     1.09999   105.63064    66.32199
   49    39 S   CT   _C11    56     1.53789   115.47419   165.21857
   50    49 S   HC   _H3_    57     1.09872   108.62714   -86.72947
   51    46 S   CT   _C14    49     1.53038   116.50327  -172.28174
   52    51 S   CM   _C8_    50     1.52992   116.46177    65.00461
   53    51 S   CT   _C15    66     1.53951   109.12750  -166.98751
   54    53 S   HC   _H18    67     1.09471   113.87093   -89.86086
   55    53 S   HC   _H19    68     1.09556   112.36354    33.68188
   56    52 S   CM   _C9_    51     1.34543   127.05234    -7.56725
   57    56 S   HC   _H13    52     1.08990   117.85850   178.80991
   58    52 S   CT   _C7_    58     1.51951   113.69027   176.22825
   59    58 S   HC   _H11    59     1.09634   112.17850   163.36751
   60    58 S   HC   _H12    60     1.09696   109.03550   -78.83274
   61    56 S   CT   _C10    53     1.50278   127.97662    -7.82657
   62    61 S   HC   _H14    54     1.09553   110.77127    81.19060
   63    61 S   HC   _H15    55     1.09561   105.52978  -164.54097
   64    58 S   CT   _C6_    61     1.53847   110.12855    41.72015
   65    64 S   HC   _H9_    62     1.09738   108.91487    79.01057
   66    64 S   HC   _H10    63     1.09616   108.71135  -163.42049
   67    64 S   CO   _C5_    64     1.53896   110.53216   -41.49950
   68    67 S   OS   _O34    65     1.43453   107.95641   -55.48546
   69    51 S   OS   _O33    69     1.43666   110.88159   -57.08382
   70    67 S   CT   _C4_    70     1.51621   112.56566  -177.45770
   71    70 S   HC   _H6_    71     1.09594   110.31314  -179.77619
   72    70 S   HC   _H7_    72     1.09477   111.32596    61.30757
   73    70 S   HC   _H8_    73     1.09480   111.31993   -60.86433
  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  14   7  15   6   5
   8   4  15  17   9   4   3   9   4  10   5   4   2   1   1   9
   5   4   6   5   4   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    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    61    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    56    61    62    63    49    50  
   41    42    43    44    61    49    50  
   42    43    44    45    46    61    49    50  
   43    44    49  
   44    45    46    47    48    51    61    49    50  
   45    46    47    48    51    52    56    61    62    63    49    50    53    69  
   46    47    48    51    61    49    50  
   47    48    51    52    56    61    49    50    58    67    68    53    54    55    69  
   48    51    52    49    53    69  
   51    52    49    53    69  
   50    51    52    56    57    61    62    63  
   56    61    62    63  
   52    56    57    61    58    59    60    64    67    68    53    54    55    69    70  
   56    57    61    62    63    58    59    60    64    65    66    67    68    53    54    55    69  
   54    55    69    70    56    58    64    67    68  
   55    69    67    68  
   69    67    68  
   57    61    62    63    58    59    60    64    69  
   61    62    63    58  
   59    60    64    65    66    67    68    69    70    61  
   60    64    65    66    67  
   64    65    66    67  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   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    49   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    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   317.000  1.510
   51    53   268.000  1.529
   51    69   320.000  1.410
   52    56   549.000  1.340
   52    58   317.000  1.510
   56    57   340.000  1.080
   56    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    49   268.000  1.529
   49    50   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   250.000  1.527
   67    68   320.000  1.380
   67    69   320.000  1.380
   67    70   250.000  1.527
   68    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    49    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    49    44    58.35000  112.70000
   39    49    61    58.35000  112.70000
   39    49    50    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    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    61    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  112.02700
   46    51    53    58.35000  112.70000
   46    51    69    50.00000  109.50000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    56    70.00000  124.00000
   51    52    58    65.00000  117.92700
   51    53    68    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    69    67    60.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    61    70.00000  124.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    64    70.00000  112.02700
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    49    70.00000  112.02700
   61    56    57    35.00000  117.00000
   61    49    50    37.50000  110.70000
   63    61    62    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    61    62    37.50000  110.70000
   49    61    63    37.50000  110.70000
   58    52    56    70.00000  124.00000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    75.00000  109.43000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    67    68    90.00000  108.56700
   64    67    69    90.00000  108.56700
   64    67    70    65.00000  112.71400
   66    64    65    33.00000  107.80000
   67    64    65    45.00000  108.72000
   67    64    66    45.00000  108.72000
   67    68    53    60.00000  109.50000
   67    70    71    45.00000  108.72000
   67    70    72    45.00000  108.72000
   67    70    73    45.00000  108.72000
   68    53    54    35.00000  109.50000
   68    53    55    35.00000  109.50000
   53    51    52    70.00000  112.02700
   55    53    54    33.00000  107.80000
   69    51    52    85.00000  110.90400
   69    51    53    50.00000  109.50000
   69    67    68    92.60000  111.55000
   70    67    68    90.00000  108.56700
   70    67    69    90.00000  108.56700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   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    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    61   0.56750  1.0 1.0
   33    39    49    61  -0.07550 -1.0 2.0
   33    39    49    61   0.20000  1.0 3.0
   33    39    49    50   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    49   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    49   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    49    44   0.15000  1.0 3.0
   40    39    49    61   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    61  -0.95700  1.0 1.0
   41    39    49    61  -0.18200 -1.0 2.0
   41    39    49    61   0.29450  1.0 3.0
   41    39    49    50  -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    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   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    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    61   0.62750  1.0 1.0
   43    44    49    61  -0.30950 -1.0 2.0
   43    44    49    61   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.34400  1.0 1.0
   44    46    51    52   0.09450 -1.0 2.0
   44    46    51    52   0.11100  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    69   0.62750  1.0 1.0
   44    46    51    69  -0.30950 -1.0 2.0
   44    46    51    69   0.27300  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    61   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    61   0.56750  1.0 1.0
   46    44    49    61  -0.07550 -1.0 2.0
   46    44    49    61   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    56   0.09850  1.0 1.0
   46    51    52    56   0.15250 -1.0 2.0
   46    51    52    56  -0.50650  1.0 3.0
   46    51    52    58   0.46850  1.0 1.0
   46    51    52    58   0.08550 -1.0 2.0
   46    51    52    58   0.09800  1.0 3.0
   46    51    53    68   0.62750  1.0 1.0
   46    51    53    68  -0.30950 -1.0 2.0
   46    51    53    68   0.27300  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    55   0.15000  1.0 3.0
   46    51    69    67   0.06250  1.0 1.0
   46    51    69    67  -0.01100 -1.0 2.0
   46    51    69    67   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    69   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    69   0.23400  1.0 3.0
   51    52    56    57   7.00000 -1.0 2.0
   51    52    56    61   7.00000 -1.0 2.0
   51    52    58    59   0.34800  1.0 3.0
   51    52    58    60   0.34800  1.0 3.0
   51    52    58    64   0.46850  1.0 1.0
   51    52    58    64   0.08550 -1.0 2.0
   51    52    58    64   0.09800  1.0 3.0
   52    51    53    68   0.61850  1.0 1.0
   52    51    53    68  -0.22750 -1.0 2.0
   52    51    53    68   0.15300  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    69    67  -0.77900  1.0 1.0
   52    51    69    67  -0.36900 -1.0 2.0
   52    51    69    67   0.40400  1.0 3.0
   52    56    61    62   0.00000  1.0 1.0
   52    56    61    63   0.00000  1.0 1.0
   52    56    61    49   0.09850  1.0 1.0
   52    56    61    49   0.15250 -1.0 2.0
   52    56    61    49  -0.50650  1.0 3.0
   52    58    64    65   0.15000  1.0 3.0
   52    58    64    66   0.15000  1.0 3.0
   52    58   -64    67   0.34400  1.0 1.0
   52    58   -64    67   0.09450 -1.0 2.0
   52    58   -64    67   0.11100  1.0 3.0
   56    52    58    59   0.00000  1.0 1.0
   56    52    58    60   0.00000  1.0 1.0
   56    52    58    64   0.09850  1.0 1.0
   56    52    58    64   0.15250 -1.0 2.0
   56    52    58    64  -0.50650  1.0 3.0
   56    61    49    39   0.34400  1.0 1.0
   56    61    49    39   0.09450 -1.0 2.0
   56    61    49    39   0.11100  1.0 3.0
   56    61    49    44   0.34400  1.0 1.0
   56    61    49    44   0.09450 -1.0 2.0
   56    61    49    44   0.11100  1.0 3.0
   56    61    49    50   0.15000  1.0 3.0
   57    56    61    62   0.33100  1.0 3.0
   57    56    61    63   0.33100  1.0 3.0
   57    56    61    49   0.00000  1.0 1.0
   62    61    49    39   0.15000  1.0 3.0
   62    61    49    44   0.15000  1.0 3.0
   62    61    49    50   0.15000  1.0 3.0
   63    61    49    39   0.15000  1.0 3.0
   63    61    49    44   0.15000  1.0 3.0
   63    61    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   58    52    56    57   7.00000 -1.0 2.0
   58    52    56    61   7.00000 -1.0 2.0
   58    64    67    68   0.62750  1.0 1.0
   58    64    67    68  -0.30950 -1.0 2.0
   58    64    67    68   0.27300  1.0 3.0
   58    64    67    69   0.62750  1.0 1.0
   58    64    67    69  -0.30950 -1.0 2.0
   58    64    67    69   0.27300  1.0 3.0
   58    64    67    70   0.56750  1.0 1.0
   58    64    67    70  -0.07550 -1.0 2.0
   58    64    67    70   0.20000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    67   0.15000  1.0 3.0
   64    67    68    53   0.06250  1.0 1.0
   64    67    68    53  -0.01100 -1.0 2.0
   64    67    68    53   0.28050  1.0 3.0
   64    67   -69    51   0.06250  1.0 1.0
   64    67   -69    51  -0.01100 -1.0 2.0
   64    67   -69    51   0.28050  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   65    64    67    68   0.23400  1.0 3.0
   65    64    67    69   0.23400  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.23400  1.0 3.0
   66    64    67    69   0.23400  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    68   -53    51   0.06250  1.0 1.0
   67    68   -53    51  -0.01100 -1.0 2.0
   67    68   -53    51   0.28050  1.0 3.0
   67    68    53    54   0.37050  1.0 3.0
   67    68    53    55   0.37050  1.0 3.0
   68    67   -69    51  -0.53350  1.0 1.0
   68    67   -69    51  -0.78350 -1.0 2.0
   68    67   -69    51   0.33750  1.0 3.0
   68    67    70    71   0.23400  1.0 3.0
   68    67    70    72   0.23400  1.0 3.0
   68    67    70    73   0.23400  1.0 3.0
   53    51    52    56   0.09850  1.0 1.0
   53    51    52    56   0.15250 -1.0 2.0
   53    51    52    56  -0.50650  1.0 3.0
   53    51    52    58   0.46850  1.0 1.0
   53    51    52    58   0.08550 -1.0 2.0
   53    51    52    58   0.09800  1.0 3.0
   53    51   -69    67   0.06250  1.0 1.0
   53    51   -69    67  -0.01100 -1.0 2.0
   53    51   -69    67   0.28050  1.0 3.0
   69    51    52    56   0.39000  1.0 1.0
   69    51    52    56  -0.05800 -1.0 2.0
   69    51    52    56  -0.55150  1.0 3.0
   69    51   -52    58   0.09700  1.0 1.0
   69    51   -52    58   0.15600 -1.0 2.0
   69    51   -52    58  -0.50800  1.0 3.0
   69    51   -53    68   1.11900  1.0 1.0
   69    51   -53    68  -1.16350 -1.0 2.0
   69    51   -53    68  -0.34150  1.0 3.0
   69    51    53    54   0.23400  1.0 3.0
   69    51    53    55   0.23400  1.0 3.0
   69    67   -68    53  -0.53350  1.0 1.0
   69    67   -68    53  -0.78350 -1.0 2.0
   69    67   -68    53   0.33750  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.23400  1.0 3.0
   69    67    70    73   0.23400  1.0 3.0
   70    67    68    53   0.06250  1.0 1.0
   70    67    68    53  -0.01100 -1.0 2.0
   70    67    68    53   0.28050  1.0 3.0
   70    67    69    51   0.06250  1.0 1.0
   70    67    69    51  -0.01100 -1.0 2.0
   70    67    69    51   0.28050  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   51    58    52    56   1.10000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
END
