* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    133    197     382
    1     0 S   NP   _N1_     1    28.67336    92.71209   -18.39379
    2     1 S   H    _HN1     2     1.02973   102.85184    26.55318
    3     1 S   H    _H1_     3     1.02850    35.58765   127.88457
    4     1 S   H    _H2_     4     1.02715    76.24605   -79.54549
    5     1 S   CT   _CA1     5     1.50120   139.89612   172.06024
    6     5 S   HC   _HA1     6     1.09572   105.28692    33.58562
    7     5 S   CO3  _C1_     7     1.53781   112.25759   -86.66314
    8     7 S   O2Z  _O11     8     1.26353   114.96950   -45.26364
    9     7 S   O2Z  _O12     9     1.26225   114.90625   133.91313
   10     5 S   CT   _CB1    10     1.53056   107.40146   151.47893
   11    10 S   HC   HB11    11     1.09802   109.31010   -51.57981
   12    10 S   HC   HB12    12     1.09833   110.39222    64.90422
   13    10 S   CT   _CG1    13     1.53058   112.75674  -172.64278
   14    13 S   HC   HG11    14     1.09582   110.49279   -61.65012
   15    13 S   HC   HG12    15     1.09626   110.09911    57.73408
   16    13 S   C    _CD1    16     1.51659   112.00542   178.04776
   17    16 S   O    _OE1    17     1.22707   123.17761    -5.72793
   18    16 S   N    _N2_    18     1.38487   112.11416   174.77022
   19    18 S   H    _HN2    19     1.01587   119.10225     3.64153
   20    18 S   CT1  _CA2    20     1.46233   123.14918  -178.40149
   21    20 S   HC   _HA2    21     1.09603   108.89025     4.65328
   22    20 S   C    _C2_    22     1.53329   108.76872  -110.22621
   23    22 S   O    _O2_    23     1.22994   122.26283  -140.95092
   24    20 S   CT   _CB2    32     1.53403   111.34630   126.45168
   25    24 S   HC   HB21    33     1.09640   109.67888    56.90006
   26    24 S   HC   HB22    34     1.09534   111.74853   174.92464
   27    22 S   N    _N3_    24     1.38540   113.22764    46.59007
   28    27 S   H    _HN3    25     1.01454   119.03050    -1.44726
   29    24 S   S    _SG2    35     1.82858   112.60112   -62.09052
   30    27 S   CT   _CA3    26     1.45444   123.62936   173.02433
   31    30 S   HC   HA31    27     1.09506   109.35073    21.72259
   32    30 S   HC   HA32    28     1.09486   107.07085   138.96219
   33    29 S   CT   _C18    36     1.83433   100.54459   -81.94017
   34    33 S   F    F1__    37     1.36602   107.67526   -94.43648
   35    33 S   F    F2__    38     1.36415   110.13886    19.07574
   36    30 S   CO3  _C3_    29     1.53036   113.19182  -101.65015
   37    36 S   O2Z  _O31    30     1.26431   115.62385   -35.37770
   38    36 S   O2Z  _O32    31     1.26361   114.83119   145.50123
   39    33 S   CA   _C16    39     1.51055   110.27703   142.76351
   40    39 S   CA   _C15    40     1.40036   120.77610    91.15187
   41    40 S   HA   _H19    41     1.08727   120.48178     0.18557
   42    40 S   CA   _C14    42     1.39401   120.28253  -179.87180
   43    42 S   HA   _H18    43     1.08636   119.97262  -179.87028
   44    42 S   CA   _C13    44     1.39482   120.10493     0.12972
   45    44 S   HA   _H17    45     1.08733   119.32072  -179.93744
   46    44 S   CA   _C12    46     1.39751   120.50572     0.21850
   47    39 S   CA   _C17    47     1.40617   120.09229   -88.28632
   48    47 S   HA   _H20    48     1.08635   118.14300    -0.36477
   49    46 S   OS   _O34    49     1.37085   115.00261  -179.95154
   50    49 S   CT   _C11    50     1.42866   116.65124  -176.26897
   51    50 S   HC   _H15    51     1.09457   109.48162    60.49548
   52    50 S   HC   _H16    52     1.09651   110.10958   -60.99033
   53    50 S   CT   _C10    53     1.52748   108.31617   179.71333
   54    53 S   HC   _H13    54     1.09712   108.66966   -60.94044
   55    53 S   HC   _H14    55     1.09644   109.51955    55.06491
   56    53 S   CT   _C9_    56     1.52590   112.11453   177.23049
   57    56 S   HC   _H11    57     1.09717   109.66396   -57.87757
   58    56 S   HC   _H12    58     1.09641   108.87409  -176.55599
   59    56 S   OS   _O33    59     1.43480   108.98779    63.77413
   60    59 S   CA   _C6_    60     1.36940   110.64575  -175.88515
   61    60 S   CA   _C5_    61     1.39704   119.97311   -94.77809
   62    61 S   NAP  _N5_    62     1.34297   118.33657  -179.27046
   63    62 S   H    _H6_    63     1.01774   120.25658  -178.66954
   64    61 S   CT   _C4_    73     1.49173   123.67695     1.56898
   65    64 S   HC   _H3_    74     1.09368   110.32316    70.52175
   66    64 S   HC   _H4_    75     1.09463   111.07495  -169.67568
   67    64 S   HC   _H5_    76     1.09452   110.50345   -50.30821
   68    62 S   CQ   _C8_    64     1.34284   121.30103     1.32677
   69    68 S   NB   _N4_    65     1.35711   122.55323     0.54393
   70    68 S   NE   _N6_    70     1.37905   117.56558  -179.73459
   71    70 S   H    _H7_    71     1.01187   118.37961   179.97202
   72    70 S   H    _H8_    72     1.00943   122.26913     0.41354
   73    60 S   CA   _C7_    66     1.39490   121.08171    89.65645
   74    73 S   NE   _N7_    67     1.39028   120.59169    -3.06101
   75    74 S   H    _H9_    68     1.01420   118.36477    32.43789
   76    74 S   H    _H10    69     1.01759   116.75053  -179.50742
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   9   4   3   2   1   1   9   8   4   6   3   6   3   7   3   1
   7   9   5   4   7   5   4   6   3   2   7  13  11  11   4   5
   2   1   1   6   7   3   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    48    49  
   41    42    43    44    45    46    47    48  
   42    43    44    47  
   43    44    45    46    47    49  
   44    45    46  
   45    46    47    48    49    50  
   46    47    49  
   47    48    49    50    51    52    53  
   48    49    50  
   49  
   50    51    52    53    54    55    56  
   51    52    53    54    55    56    57    58    59  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    59    60  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    73  
   58    59    60  
   59    60  
   60    61    62    69    73    74    64  
   61    62    63    68    69    73    74    75    76    64    65    66    67  
   62    63    68    69    73    74    70    64    65    66    67  
   63    68    69    73    70    71    72    64    65    66    67  
   68    69    70    64  
   65    66    67    68    73  
   66    67  
   67  
    0  
   69    73    74    70    71    72  
   73    74    75    76    70    71    72  
   71    72    73  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.278800   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.532000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -1.134900   1.9750   1.7500   0.001000000  -0.511443539
   63   0.0000   0.0000   0.431900   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   1.021200   2.0020   1.7750   0.001000000  -0.843144165
   69   3.2800   0.1700  -0.709200   1.8650   1.6500   0.001000000  -0.511443539
   70   3.3000   0.1700  -0.420000   1.8650   1.6500   0.051222218  -2.220205820
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700   1.022800   2.0020   1.7750   0.001000000  -0.843144165
   74   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   75   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   469.000  1.400
   46    49   450.000  1.364
   47    48   367.000  1.080
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   320.000  1.410
   59    60   450.000  1.364
   60    61   469.000  1.400
   60    73   469.000  1.400
   61    62   485.000  1.342
   61    64   317.000  1.510
   62    63   475.000  1.020
   62    68   535.000  1.326
   68    69   502.000  1.324
   68    70   410.000  1.375
   69    73   483.000  1.339
   73    74   481.000  1.340
   74    75   434.000  1.010
   74    76   434.000  1.010
   70    71   434.000  1.010
   70    72   434.000  1.010
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    46    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    63.00000  120.00000
   44    46    49    70.00000  120.00000
   46    44    45    35.00000  120.00000
   46    47    48    35.00000  120.00000
   46    49    50    75.00000  111.00000
   47    39    40    63.00000  120.00000
   49    46    47    70.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    53    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    75.00000  111.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    70.00000  120.00000
   59    60    73    70.00000  120.00000
   60    61    62    70.00000  119.29800
   60    61    64    70.00000  120.00000
   60    73    69    70.00000  124.00000
   60    73    74    70.00000  120.10000
   61    62    63    45.00000  117.56800
   61    62    68    80.00000  116.44700
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   62    68    69    80.00000  118.80000
   62    68    70    85.00000  116.09700
   68    62    63    45.00000  118.71300
   68    69    73    70.00000  118.60000
   68    70    71    50.00000  113.31100
   68    70    72    50.00000  113.31100
   69    73    74    80.00000  117.25000
   73    60    61    63.00000  120.00000
   73    74    75    35.00000  113.50000
   73    74    76    35.00000  113.50000
   76    74    75    35.00000  109.00000
   70    68    69    85.00000  116.09700
   72    70    71    35.00000  109.00000
   64    61    62    70.00000  116.21300
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    46   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    46   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    49   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46   -47    39   3.62500 -1.0 2.0
   44    46    47    48   3.62500 -1.0 2.0
   44    46    49    50   1.63200 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    49   3.62500 -1.0 2.0
   46    49    50    51   0.08050  1.0 3.0
   46    49    50    52   0.08050  1.0 3.0
   46    49    50    53  -0.32850  1.0 1.0
   46    49    50    53  -0.35800 -1.0 2.0
   46    49    50    53   0.33950  1.0 3.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    46    49    50   1.63200 -1.0 2.0
   49    46    47    39   3.62500 -1.0 2.0
   49    46    47    48   3.62500 -1.0 2.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.62750  1.0 1.0
   49    50    53    56  -0.30950 -1.0 2.0
   49    50    53    56   0.27300  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    59   0.62750  1.0 1.0
   50    53    56    59  -0.30950 -1.0 2.0
   50    53    56    59   0.27300  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    59    60  -0.32850  1.0 1.0
   53    56    59    60  -0.35800 -1.0 2.0
   53    56    59    60   0.33950  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.23400  1.0 3.0
   56    59    60    61   1.63200 -1.0 2.0
   56    59    60    73   1.63200 -1.0 2.0
   57    56    59    60   0.08050  1.0 3.0
   58    56    59    60   0.08050  1.0 3.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    61    64   3.62500 -1.0 2.0
   59    60    73    69   3.62500 -1.0 2.0
   59    60    73    74   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61    62    68   3.62500 -1.0 2.0
   60    61    64    65   0.00000  1.0 1.0
   60    61    64    66   0.00000  1.0 1.0
   60    61    64    67   0.00000  1.0 1.0
   60    73    74    75   1.00000 -1.0 2.0
   60    73    74    76   1.00000 -1.0 2.0
   61    60    73    69   3.62500 -1.0 2.0
   61    60    73    74   3.62500 -1.0 2.0
   61    62   -68    69   3.62500 -1.0 2.0
   61    62    68    70   3.62500 -1.0 2.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    67   0.00000  1.0 1.0
   62    68    69    73   3.62500 -1.0 2.0
   62    68    70    71   1.75000 -1.0 2.0
   62    68    70    72   1.75000 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   63    62    68    70   3.62500 -1.0 2.0
   68    69   -73    60   3.62500 -1.0 2.0
   68    69    73    74   3.62500 -1.0 2.0
   69    68    70    71   1.75000 -1.0 2.0
   69    68    70    72   1.75000 -1.0 2.0
   69    73    74    75   1.75000 -1.0 2.0
   69    73    74    76   1.75000 -1.0 2.0
   73    60   -61    62   3.62500 -1.0 2.0
   73    60    61    64   3.62500 -1.0 2.0
   70    68    69    73   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    68   3.62500 -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
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   47    49    46    44   4.00000 -1.0 2.0
   46    48    47    39   1.10000 -1.0 2.0
   61    73    60    59   4.00000 -1.0 2.0
   64    62    61    60   4.00000 -1.0 2.0
   63    61    62    68   1.00000 -1.0 2.0
   69    70    68    62   4.00000 -1.0 2.0
   69    74    73    60   4.00000 -1.0 2.0
   76    73    74    75   1.00000 -1.0 2.0
   72    68    70    71   1.00000 -1.0 2.0
END
