* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    151    236     431
    1     0 S   NP   _N1_     1    29.12557    92.65992   -22.17162
    2     1 S   H    _HN1     2     1.02969    95.59080    31.53510
    3     1 S   H    _H1_     3     1.02827    18.39083   161.20967
    4     1 S   H    _H2_     4     1.02774    99.03922   -78.06296
    5     1 S   CT   _CA1     5     1.50153   129.01500   153.42333
    6     5 S   HC   _HA1     6     1.09582   105.19764    61.77309
    7     5 S   CO3  _C1_     7     1.53781   112.44462   -58.26040
    8     7 S   O2Z  _O11     8     1.26351   115.02226   -41.64022
    9     7 S   O2Z  _O12     9     1.26255   114.91581   137.43334
   10     5 S   CT   _CB1    10     1.53074   107.34793   179.55063
   11    10 S   HC   HB11    11     1.09821   109.15182   -51.60085
   12    10 S   HC   HB12    12     1.09821   110.41967    64.84247
   13    10 S   CT   _CG1    13     1.53012   112.82358  -172.85235
   14    13 S   HC   HG11    14     1.09597   110.27877   -64.97387
   15    13 S   HC   HG12    15     1.09640   110.14816    54.27499
   16    13 S   C    _CD1    16     1.51793   112.24144   174.37367
   17    16 S   O    _OE1    17     1.22745   123.22123    -8.82708
   18    16 S   N    _N2_    18     1.38684   111.76250   171.94729
   19    18 S   H    _HN2    19     1.01582   119.13213     1.34814
   20    18 S   CT1  _CA2    20     1.46055   123.17538  -179.06017
   21    20 S   HC   _HA2    21     1.09578   109.23878    -7.26061
   22    20 S   C    _C2_    22     1.53452   108.97260  -122.46911
   23    22 S   O    _O2_    23     1.23043   122.03712  -148.46697
   24    20 S   CT   _CB2    32     1.53456   111.80330   114.94395
   25    24 S   HC   HB21    33     1.09660   109.54890    64.36485
   26    24 S   HC   HB22    34     1.09577   110.79428  -178.42381
   27    22 S   N    _N3_    24     1.38452   113.56948    39.09939
   28    27 S   H    _HN3    25     1.01511   118.93647    -0.79155
   29    24 S   S    _SG2    35     1.82870   114.93227   -55.36938
   30    27 S   CT   _CA3    26     1.45445   123.45612   174.84588
   31    30 S   HC   HA31    27     1.09524   109.23566    24.56359
   32    30 S   HC   HA32    28     1.09496   107.12974   141.58375
   33    29 S   CT   _C18    36     1.82599   100.00603   -66.53309
   34    33 S   HC   _H3_    37     1.09388   107.33715   -59.34380
   35    33 S   HC   _H4_    38     1.09339   109.38448    58.04512
   36    30 S   CO3  _C3_    29     1.52931   113.09294   -98.89857
   37    36 S   O2Z  _O31    30     1.26406   115.40998   -44.26577
   38    36 S   O2Z  _O32    31     1.26355   114.97882   136.64852
   39    33 S   CT   _C9_    39     1.53136   110.97389   179.49178
   40    39 S   HC   _H29    40     1.09768   112.10991    41.51592
   41    39 S   CO4  _C4_    41     1.51043   112.60958   -80.38577
   42    41 S   O    _O16    42     1.22094   126.48225    42.13499
   43    41 S   OS   _O17    43     1.36298   109.79243  -139.45560
   44    43 S   CT   _C12    44     1.43670   110.59707    -1.49489
   45    44 S   HC   _H32    45     1.09483   107.44496   -95.75156
   46    39 S   CT   _C10    46     1.53879   111.89315   165.52749
   47    46 S   HC   _H30    47     1.09901   108.41442    35.20677
   48    44 S   C3T  _C13    64     1.49440   108.59145   143.17415
   49    48 S   HC   _H33    65     1.08234   112.96090   -96.49193
   50    46 S   CT   _C5_    48     1.54213   111.32621   -84.91148
   51    50 S   HC   _H21    49     1.09791   107.49769    44.22962
   52    50 S   HC   _H22    50     1.09554   110.07509   -69.83153
   53    71 S   O3T  _O19    66     1.43350   115.28403  -147.71728
   54    50 S   CT   _C7_    51     1.53627   116.40129   162.40224
   55    54 S   HC   _H25    52     1.09831   107.53904  -158.06992
   56    54 S   HC   _H26    53     1.09688   109.38955   -43.56891
   57    54 S   C3T  _C14    54     1.51022   115.68179    82.51023
   58    57 S   C3T  _C11    55     1.52990   117.90300  -117.12793
   59    58 S   HC   _H31    56     1.08322   119.75102     3.06171
   60    57 S   CT   _C16    72     1.50227   116.83194    49.84895
   61    60 S   HC   _H34    73     1.09401   112.70674   163.60263
   62    60 S   HC   _H35    74     1.09554   110.22561    44.30690
   63    60 S   HC   _H36    75     1.09246   110.87414   -75.16177
   64    58 S   CT   _C6_    57     1.49658   123.11689   156.41359
   65    64 S   HC   _H23    58     1.09644   108.55870   138.90831
   66    64 S   HC   _H24    59     1.09383   111.93038    21.73302
   67    57 S   O3T  _O18    71     1.44740   113.05330   179.14981
   68    64 S   CT   _C8_    60     1.53587   111.42638  -101.63910
   69    68 S   HC   _H27    61     1.09641   109.37266  -179.24153
   70    68 S   HC   _H28    62     1.09787   109.13422   -63.26579
   71    68 S   C3T  _C15    63     1.50788   111.92281    58.83997
   72    71 S   CT   _C17    67     1.49927   116.74995    79.06779
   73    72 S   HC   _H37    68     1.09432   112.50030   174.22179
   74    72 S   HC   _H38    69     1.09546   110.03683    54.92256
   75    72 S   HC   _H39    70     1.09237   111.14058   -64.25966
  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  13   7  12   5  12
   4   9   5   4   9  11   5   4  11  13   6   5   3   2   1   8
   6   5   1   7   3   2   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    52    54    48  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    71    48    49    53  
   45    46    47    50    51    52    54    68    71    48    49    53    72  
   46    47    50    71    48    49    53  
   47    50    51    52    54    55    56    57    71    48    49    53  
   50    51    52    54    48  
   49    53    72    73    74    75    50    64    68    69    70    71  
   53    72    68    71  
   51    52    54    55    56    57    58    67    60  
   52    54    55    56    57  
   54    55    56    57  
   72    73    74    75    64    68    69    70    71  
   55    56    57    58    59    64    67    60    61    62    63  
   56    57    58    67    60  
   57    58    67    60  
   58    59    64    65    66    68    67    60    61    62    63  
   59    64    65    66    68    69    70    71    67    60    61    62    63  
   64    65    66    68    67    60  
   61    62    63    64    67  
   62    63    67  
   63    67  
   67  
   65    66    68    69    70    71    72    67  
   66    68    69    70    71    67  
   68    69    70    71    67  
   68  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   275.000  1.510
   57    58   260.000  1.509
   57    67   335.000  1.432
   57    60   275.000  1.510
   58    59   340.000  1.088
   58    64   275.000  1.510
   58    67   335.000  1.432
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   275.000  1.510
   71    48   260.000  1.509
   71    53   335.000  1.432
   71    72   275.000  1.510
   48    49   340.000  1.088
   48    53   335.000  1.432
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    46    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    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    71    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    53    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    70.00000  112.37300
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    57    58    60.00000  120.94000
   54    57    67    80.00000  116.47100
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    45.00000  109.38400
   57    54    56    45.00000  109.38400
   57    58    59    37.50000  117.20000
   57    58    64    60.00000  120.94000
   57    58    67    15.00000   60.43100
   57    67    58    15.00000   59.14900
   57    60    61    45.00000  109.38400
   57    60    62    45.00000  109.38400
   57    60    63    45.00000  109.38400
   58    64    65    45.00000  109.38400
   58    64    66    45.00000  109.38400
   58    64    68    70.00000  112.37300
   64    58    59    40.00000  115.04500
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    70.00000  112.37300
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    71    48    60.00000  120.94000
   68    71    53    80.00000  116.47100
   68    71    72    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    45.00000  109.38400
   71    68    70    45.00000  109.38400
   71    48    49    37.50000  117.20000
   71    48    53    15.00000   60.43100
   71    53    48    15.00000   59.14900
   71    72    73    45.00000  109.38400
   71    72    74    45.00000  109.38400
   71    72    75    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   53    71    48    15.00000   60.43100
   53    48    49    50.00000  114.27700
   72    71    48    60.00000  120.94000
   72    71    53    80.00000  116.47100
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    57    58    15.00000   60.43100
   67    58    59    50.00000  114.27700
   67    58    64    80.00000  116.47100
   60    57    58    60.00000  120.94000
   60    57    67    80.00000  116.47100
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   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    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  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    46   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    46   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
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    52   0.15000  1.0 3.0
   39    46    50    54   0.56750  1.0 1.0
   39    46    50    54  -0.07550 -1.0 2.0
   39    46    50    54   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    71  -0.26800  1.0 1.0
   43    44    48    71   0.69150 -1.0 2.0
   43    44    48    71  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    53   1.11900  1.0 1.0
   43    44    48    53  -1.16350 -1.0 2.0
   43    44    48    53  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    48   -53    71   0.06250  1.0 1.0
   44    48   -53    71  -0.01100 -1.0 2.0
   44    48   -53    71   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    71   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    71   0.07850  1.0 1.0
   46    44    48    71  -0.03950 -1.0 2.0
   46    44    48    71   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    53   0.02550  1.0 1.0
   46    44    48    53  -0.02600 -1.0 2.0
   46    44    48    53   1.20400  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    57   0.47050  1.0 1.0
   46    50    54    57   0.03900 -1.0 2.0
   46    50    54    57   0.20100  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   50    54    57    58   0.07850  1.0 1.0
   50    54    57    58  -0.03950 -1.0 2.0
   50    54    57    58   0.67350  1.0 3.0
   50    54    57    67   0.02550  1.0 1.0
   50    54    57    67  -0.02600 -1.0 2.0
   50    54    57    67   1.20400  1.0 3.0
   50    54    57    60   0.56750  1.0 1.0
   50    54    57    60  -0.07550 -1.0 2.0
   50    54    57    60   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   54    57    58    59   0.15000  1.0 3.0
   54    57    58    64   0.56750  1.0 1.0
   54    57    58    64  -0.07550 -1.0 2.0
   54    57    58    64   0.20000  1.0 3.0
   54    57   -58    67   0.02550  1.0 1.0
   54    57   -58    67  -0.02600 -1.0 2.0
   54    57   -58    67   1.20400  1.0 3.0
   54    57   -67    58   0.06250  1.0 1.0
   54    57   -67    58  -0.01100 -1.0 2.0
   54    57   -67    58   0.28050  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62   0.15000  1.0 3.0
   54    57    60    63   0.15000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    67   0.23400  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    67   0.23400  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    58    64    65   0.15000  1.0 3.0
   57    58    64    66   0.15000  1.0 3.0
   57    58    64    68   0.07850  1.0 1.0
   57    58    64    68  -0.03950 -1.0 2.0
   57    58    64    68   0.67350  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    64    68    69   0.15000  1.0 3.0
   58    64    68    70   0.15000  1.0 3.0
   58    64    68    71   0.47050  1.0 1.0
   58    64    68    71   0.03900 -1.0 2.0
   58    64    68    71   0.20100  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    68   0.15000  1.0 3.0
   59    58   -67    57   0.36800  1.0 3.0
   64    58   -67    57   0.06250  1.0 1.0
   64    58   -67    57  -0.01100 -1.0 2.0
   64    58   -67    57   0.28050  1.0 3.0
   64    68    71    48   0.07850  1.0 1.0
   64    68    71    48  -0.03950 -1.0 2.0
   64    68    71    48   0.67350  1.0 3.0
   64    68    71    53   0.02550  1.0 1.0
   64    68    71    53  -0.02600 -1.0 2.0
   64    68    71    53   1.20400  1.0 3.0
   64    68    71    72   0.56750  1.0 1.0
   64    68    71    72  -0.07550 -1.0 2.0
   64    68    71    72   0.20000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    70   0.15000  1.0 3.0
   66    64    68    71   0.15000  1.0 3.0
   68    71    48    44   0.56750  1.0 1.0
   68    71    48    44  -0.07550 -1.0 2.0
   68    71    48    44   0.20000  1.0 3.0
   68    71    48    49   0.15000  1.0 3.0
   68    71   -48    53   0.02550  1.0 1.0
   68    71   -48    53  -0.02600 -1.0 2.0
   68    71   -48    53   1.20400  1.0 3.0
   68    71   -53    48   0.06250  1.0 1.0
   68    71   -53    48  -0.01100 -1.0 2.0
   68    71   -53    48   0.28050  1.0 3.0
   68    71    72    73   0.15000  1.0 3.0
   68    71    72    74   0.15000  1.0 3.0
   68    71    72    75   0.15000  1.0 3.0
   69    68    71    48   0.15000  1.0 3.0
   69    68    71    53   0.23400  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   70    68    71    48   0.15000  1.0 3.0
   70    68    71    53   0.23400  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    71    72    73   0.15000  1.0 3.0
   48    71    72    74   0.15000  1.0 3.0
   48    71    72    75   0.15000  1.0 3.0
   49    48   -53    71   0.36800  1.0 3.0
   53    71   -48    44   0.02550  1.0 1.0
   53    71   -48    44  -0.02600 -1.0 2.0
   53    71   -48    44   1.20400  1.0 3.0
   53    71   -48    49   0.23400  1.0 3.0
   53    71    72    73   0.23400  1.0 3.0
   53    71    72    74   0.23400  1.0 3.0
   53    71    72    75   0.23400  1.0 3.0
   72    71    48    44   0.56750  1.0 1.0
   72    71    48    44  -0.07550 -1.0 2.0
   72    71    48    44   0.20000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71   -48    53   0.02550  1.0 1.0
   72    71   -48    53  -0.02600 -1.0 2.0
   72    71   -48    53   1.20400  1.0 3.0
   72    71   -53    48   0.06250  1.0 1.0
   72    71   -53    48  -0.01100 -1.0 2.0
   72    71   -53    48   0.28050  1.0 3.0
   67    57   -58    59   0.23400  1.0 3.0
   67    57   -58    64   0.02550  1.0 1.0
   67    57   -58    64  -0.02600 -1.0 2.0
   67    57   -58    64   1.20400  1.0 3.0
   67    57    60    61   0.23400  1.0 3.0
   67    57    60    62   0.23400  1.0 3.0
   67    57    60    63   0.23400  1.0 3.0
   67    58    64    65   0.23400  1.0 3.0
   67    58    64    66   0.23400  1.0 3.0
   67    58    64    68   0.02550  1.0 1.0
   67    58    64    68  -0.02600 -1.0 2.0
   67    58    64    68   1.20400  1.0 3.0
   60    57    58    59   0.15000  1.0 3.0
   60    57    58    64   0.56750  1.0 1.0
   60    57    58    64  -0.07550 -1.0 2.0
   60    57    58    64   0.20000  1.0 3.0
   60    57   -58    67   0.02550  1.0 1.0
   60    57   -58    67  -0.02600 -1.0 2.0
   60    57   -58    67   1.20400  1.0 3.0
   60    57   -67    58   0.06250  1.0 1.0
   60    57   -67    58  -0.01100 -1.0 2.0
   60    57   -67    58   0.28050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
