* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    132    200     388
    1     0 S   NP   _N1_     1    28.85146    94.94378   -24.67761
    2     1 S   H    _HN1     2     1.02950    77.33451    14.54628
    3     1 S   H    _H1_     3     1.02828    29.93812  -172.27549
    4     1 S   H    _H2_     4     1.02786   115.13539   -90.01190
    5     1 S   CT   _CA1     5     1.50108   126.15968   120.70644
    6     5 S   HC   _HA1     6     1.09572   105.19725    88.63752
    7     5 S   CO3  _C1_     7     1.53792   112.50213   -31.60847
    8     7 S   O2Z  _O11     8     1.26372   115.00755   -41.70294
    9     7 S   O2Z  _O12     9     1.26243   114.94982   137.48627
   10     5 S   CT   _CB1    10     1.53084   107.42776  -153.35365
   11    10 S   HC   HB11    11     1.09833   109.38562   -49.59659
   12    10 S   HC   HB12    12     1.09813   110.43532    67.01848
   13    10 S   CT   _CG1    13     1.52988   112.60335  -170.57527
   14    13 S   HC   HG11    14     1.09581   110.62980   -65.57005
   15    13 S   HC   HG12    15     1.09671   109.78467    53.65974
   16    13 S   C    _CD1    16     1.51796   112.25340   174.13171
   17    16 S   O    _OE1    17     1.22725   123.29505     6.83506
   18    16 S   N    _N2_    18     1.38656   111.65013  -173.28373
   19    18 S   H    _HN2    19     1.01585   118.91211     2.01965
   20    18 S   CT1  _CA2    20     1.46182   123.40416   177.45570
   21    20 S   HC   _HA2    21     1.09742   109.37505     2.34402
   22    20 S   C    _C2_    22     1.53524   108.63210  -113.04434
   23    22 S   O    _O2_    23     1.23017   122.26996  -147.66296
   24    20 S   CT   _CB2    32     1.53284   111.51036   124.36129
   25    24 S   HC   HB21    33     1.09595   110.20013    54.83211
   26    24 S   HC   HB22    34     1.09444   110.00352   173.99266
   27    22 S   N    _N3_    24     1.38302   113.63243    39.93923
   28    27 S   H    _HN3    25     1.01576   119.55688    -4.18470
   29    24 S   S    _SG2    35     1.82865   111.44588   -66.28254
   30    27 S   CT   _CA3    26     1.45319   123.29727   177.01358
   31    30 S   HC   HA31    27     1.09554   107.62429   -60.21449
   32    30 S   HC   HA32    28     1.09553   107.89005    56.21796
   33    29 S   CT   _C18    36     1.81647    99.55227   171.48867
   34    33 S   Cl   Cl1_    37     1.78051   110.49073  -177.11134
   35    33 S   HC   _H5_    38     1.09320   109.43391   -59.61108
   36    30 S   CO3  _C3_    29     1.53007   113.88521   177.91982
   37    36 S   O2Z  _O31    30     1.26412   115.99841    -7.48438
   38    36 S   O2Z  _O32    31     1.26409   114.53661   172.52063
   39    33 S   C    _C17    39     1.51741   110.27460    64.33844
   40    39 S   O    _O37    40     1.22992   123.06957    60.75857
   41    39 S   N    _N4_    41     1.38747   112.70610  -118.63642
   42    41 S   H    _H16    42     1.01531   119.58973     2.11933
   43    41 S   CT   _C11    43     1.46956   122.93698   176.80696
   44    43 S   HC   _H4_    44     1.09741   106.56613    32.08505
   45    43 S   CT   _C12    45     1.53789   109.00453   -84.65210
   46    45 S   HC   _H10    46     1.09599   110.32442   171.24702
   47    45 S   HC   _H11    47     1.09637   110.64484    51.21605
   48    43 S   CT   _C10    60     1.54743   109.56136   150.63784
   49    48 S   HC   _H3_    61     1.09717   109.73164    54.23673
   50    45 S   OS   _O33    48     1.43804   109.20733   -68.31998
   51    48 S   CA   _C9_    62     1.51460   113.81054   177.56603
   52    48 S   OH   _O38    75     1.43335   108.53084   -60.83819
   53    52 S   HO   _H17    76     0.97264   108.04285  -166.72636
   54    50 S   CO4  _C13    49     1.36534   115.85584  -173.04574
   55    54 S   O    _O34    50     1.22272   125.69892    -0.50745
   56    51 S   CA   _C4_    63     1.40369   119.98170  -113.21480
   57    56 S   HA   _H6_    64     1.08787   120.35151    -0.26541
   58    54 S   CT   _C14    51     1.51077   108.65309   178.88618
   59    58 S   HC   _H12    52     1.09629   107.90522   -59.21645
   60    58 S   HC   _H13    53     1.09609   108.16364    58.22408
   61    56 S   CA   _C5_    65     1.39623   120.76808   179.29612
   62    61 S   HA   _H7_    66     1.08669   118.77906  -179.52071
   63    58 S   CT   _C15    54     1.52258   112.30386   179.60733
   64    63 S   HC   _H14    55     1.09735   109.66033   -60.50797
   65    63 S   HC   _H15    56     1.09745   109.63840    56.57678
   66    61 S   CA   _C6_    67     1.39707   119.25633     0.02798
   67    63 S   CO3  _C16    57     1.53100   114.59328   177.98365
   68    67 S   O2Z  _O36    58     1.26494   114.10022  -176.37156
   69    67 S   O2Z  _O35    59     1.26166   116.60129     3.44065
   70    66 S   CA   _C7_    68     1.39703   120.98891    -0.00000
   71    70 S   HA   _H8_    69     1.08665   121.96275   179.67918
   72    66 S   NO2  _N5_    72     1.45868   119.50379  -179.98022
   73    72 S   ON   _O40    73     1.23865   117.69023   -20.08117
   74    72 S   ON   _O39    74     1.23864   117.69941   159.93336
   75    51 S   CA   _C8_    70     1.40432   121.04260    66.07992
   76    75 S   HA   _H9_    71     1.08783   120.24012     0.73622
  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
   7   4   3   2   1   1   7   3  11   4  13   8  10   4   3  11
   5   6  11   3   1   8   4   8   4   8   5   4   8   3   5   4
   3   7   2   1   1   6   3   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48  
   41    42    43  
   42    43    44    45    46    47    50    48    49    51    52  
   43    44    45    48  
   44    45    46    47    50    54    48    49    51    56    75    52    53  
   45    46    47    50    48    49    51    52  
   46    47    50    54    55    58    48    49    51    52  
   47    50    54    48  
   50    54    48  
   49    51    56    57    61    70    75    76    52    53    50  
   51    56    75    52    53  
   54    55    58    59    60    63  
   56    57    61    62    66    70    71    75    76    52    53  
   53    56    75  
    0  
   55    58    59    60    63    64    65    67  
   58    59    60    63  
   57    61    62    66    70    75    76    72  
   61    62    66    75  
   59    60    63    64    65    67    68    69  
   60    63    64    65    67  
   63    64    65    67  
   62    66    70    71    75    72    73    74  
   66    70    72  
   64    65    67    68    69  
   65    67    68    69  
   67    68    69  
   70    71    75    76    72    73    74  
   68    69  
   69  
    0  
   71    75    76    72    73    74  
   75    76    72  
   73    74    75  
   74  
    0  
   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   3.5000   0.0660   0.104500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   2.5000   0.0300   0.103000   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   42   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   73   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   74   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   245.000  1.781
   33    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   434.000  1.010
   41    43   337.000  1.449
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    54   214.000  1.327
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   317.000  1.522
   67    68   656.000  1.250
   67    69   656.000  1.250
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    52   320.000  1.410
   51    56   469.000  1.400
   51    75   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    70   469.000  1.400
   66    72   400.000  1.460
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   367.000  1.080
   72    73   550.000  1.225
   72    74   550.000  1.225
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  110.65400
   29    33    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    51.00000  107.60000
   39    33    34    75.00000  109.32700
   39    33    35    35.00000  109.50000
   39    41    42    35.00000  119.80000
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  110.72300
   41    43    48    70.00000  110.72300
   43    41    42    38.00000  118.40000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    51    70.00000  112.17500
   43    48    52    50.00000  109.50000
   45    43    44    37.50000  110.70000
   45    50    54    83.00000  116.90000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    54    55    83.00000  123.40000
   50    54    58    81.00000  111.40000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    63    63.00000  111.10000
   58    54    55    80.00000  120.40000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    67    70.00000  109.69300
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    67    68    70.00000  117.00000
   63    67    69    70.00000  117.00000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   69    67    68    80.00000  126.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    51    56    70.00000  120.00000
   48    51    75    70.00000  120.00000
   48    52    53    55.00000  108.50000
   51    48    49    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    61    63.00000  120.00000
   51    75    70    63.00000  120.00000
   51    75    76    35.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    66    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    66    70    63.00000  120.00000
   61    66    72    85.00000  120.00000
   66    61    62    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    75    63.00000  120.00000
   66    72    73    80.00000  117.50000
   66    72    74    80.00000  117.50000
   70    75    76    35.00000  120.00000
   75    51    56    63.00000  120.00000
   75    70    71    35.00000  120.00000
   72    66    70    85.00000  120.00000
   74    72    73    80.00000  125.30000
   52    48    49    35.00000  109.50000
   52    48    51    90.00000  112.51600
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   0.32350  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   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   2.45000 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.30150 -1.0 2.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45  -0.43950  1.0 1.0
   39    41    43    45  -0.08100 -1.0 2.0
   39    41    43    45   0.03350  1.0 3.0
   39    41    43    48  -0.43950  1.0 1.0
   39    41    43    48  -0.08100 -1.0 2.0
   39    41    43    48   0.03350  1.0 3.0
   40    39    41    42   2.45000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    47   0.15000  1.0 3.0
   41    43    45    50   1.12100  1.0 1.0
   41    43    45    50  -0.16500 -1.0 2.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    51   0.08550  1.0 1.0
   41    43    48    51   1.07500 -1.0 2.0
   41    43    48    51  -0.10950  1.0 3.0
   41    43    48    52   2.76900  1.0 1.0
   41    43    48    52  -0.24350 -1.0 2.0
   41    43    48    52  -0.78250  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    48   0.00000  1.0 1.0
   43    45    50    54  -0.25900  1.0 1.0
   43    45    50    54  -0.47000 -1.0 2.0
   43    45    50    54   0.11750  1.0 3.0
   43    48    51    56   0.04150 -1.0 2.0
   43    48    51    75   0.04150 -1.0 2.0
   43    48    52    53  -0.11600  1.0 1.0
   43    48    52    53  -0.09450 -1.0 2.0
   43    48    52    53   0.21250  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    51   0.43200  1.0 3.0
   44    43    48    52   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    51  -0.03700  1.0 1.0
   45    43    48    51   0.37200 -1.0 2.0
   45    43    48    51  -0.47300  1.0 3.0
   45    43    48    52   0.86500  1.0 1.0
   45    43    48    52  -0.17500 -1.0 2.0
   45    43    48    52   0.20800  1.0 3.0
   45    50    54    55   3.00000 -1.0 2.0
   45    50    54    58   1.63150  1.0 1.0
   45    50    54    58   2.92000 -1.0 2.0
   46    45    50    54   0.08050  1.0 3.0
   47    45    50    54   0.08050  1.0 3.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    63   0.36750  1.0 3.0
   54    58    63    64  -0.11250  1.0 3.0
   54    58    63    65  -0.11250  1.0 3.0
   54    58    63    67  -0.30950  1.0 1.0
   54    58    63    67   1.11150 -1.0 2.0
   54    58    63    67   0.40350  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    63   0.30150 -1.0 2.0
   58    63    67    68   0.41150 -1.0 2.0
   58    63    67    69   0.41150 -1.0 2.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    67  -0.11250  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    67  -0.11250  1.0 3.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    69   0.00000  1.0 1.0
   65    63    67    68   0.00000  1.0 1.0
   65    63    67    69   0.00000  1.0 1.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.62750  1.0 1.0
   48    43    45    50  -0.30950 -1.0 2.0
   48    43    45    50   0.27300  1.0 3.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    56    61   3.62500 -1.0 2.0
   48    51    75    70   3.62500 -1.0 2.0
   48    51    75    76   3.62500 -1.0 2.0
   49    48    51    56   0.00000  1.0 1.0
   49    48    51    75   0.00000  1.0 1.0
   49    48    52    53   0.19450  1.0 3.0
   51    48    52    53   0.31900  1.0 1.0
   51    48    52    53  -0.11800 -1.0 2.0
   51    48    52    53   0.38750  1.0 3.0
   51    56    61    62   3.62500 -1.0 2.0
   51    56    61    66   3.62500 -1.0 2.0
   56    51    75    70   3.62500 -1.0 2.0
   56    51    75    76   3.62500 -1.0 2.0
   56    61   -66    70   3.62500 -1.0 2.0
   56    61    66    72   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    66   3.62500 -1.0 2.0
   61    66    70    71   3.62500 -1.0 2.0
   61    66    70    75   3.62500 -1.0 2.0
   61    66    72    73   0.69950 -1.0 2.0
   61    66    72    74   0.69950 -1.0 2.0
   62    61    66    70   3.62500 -1.0 2.0
   62    61    66    72   3.62500 -1.0 2.0
   66    70   -75    51   3.62500 -1.0 2.0
   66    70    75    76   3.62500 -1.0 2.0
   70    66    72    73   0.69950 -1.0 2.0
   70    66    72    74   0.69950 -1.0 2.0
   71    70    75    51   3.62500 -1.0 2.0
   71    70    75    76   3.62500 -1.0 2.0
   75    51    56    57   3.62500 -1.0 2.0
   75    51   -56    61   3.62500 -1.0 2.0
   72    66    70    71   3.62500 -1.0 2.0
   72    66    70    75   3.62500 -1.0 2.0
   52    48    51    56   0.14300 -1.0 2.0
   52    48    51    56   0.00300  1.0 3.0
   52    48    51    75   0.14300 -1.0 2.0
   52    48    51    75   0.00300  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
   33    41    39    40  10.50000 -1.0 2.0
   42    39    41    43   1.00000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   68    63    67    69  10.50000 -1.0 2.0
   56    75    51    48   4.00000 -1.0 2.0
   61    57    56    51   1.10000 -1.0 2.0
   66    62    61    56   1.10000 -1.0 2.0
   70    72    66    61   4.00000 -1.0 2.0
   75    71    70    66   1.10000 -1.0 2.0
   70    76    75    51   1.10000 -1.0 2.0
   73    66    72    74  10.50000 -1.0 2.0
END
