* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    143    215     418
    1     0 S   NP   _N1_     1    30.81726    96.83984   -26.53375
    2     1 S   H    _HN1     2     1.02833    30.78068   179.49681
    3     1 S   H    _H1_     3     1.02790   126.42230  -120.13767
    4     1 S   H    _H2_     4     1.02950    77.48425   -16.44624
    5     1 S   CT   _CA1     5     1.50081   114.94724    90.51521
    6     5 S   HC   _HA1     6     1.09567   105.26456    92.56553
    7     5 S   CO3  _C1_     7     1.53823   112.35952   -27.86407
    8     7 S   O2Z  _O11     8     1.26379   115.03077   -45.62015
    9     7 S   O2Z  _O12     9     1.26231   114.92881   133.55277
   10     5 S   CT   _CB1    10     1.53037   107.44934  -149.35044
   11    10 S   HC   HB11    11     1.09827   109.60317   -49.20232
   12    10 S   HC   HB12    12     1.09794   110.34224    67.37105
   13    10 S   CT   _CG1    13     1.52988   112.51451  -170.08254
   14    13 S   HC   HG11    14     1.09578   110.74971   -61.90252
   15    13 S   HC   HG12    15     1.09651   109.78143    57.41991
   16    13 S   C    _CD1    16     1.51663   112.02614   178.17973
   17    16 S   O    _OE1    17     1.22740   123.16513     9.26680
   18    16 S   N    _N2_    18     1.38682   111.82382  -171.40189
   19    18 S   H    _HN2    19     1.01575   119.15476     3.54718
   20    18 S   CT1  _CA2    20     1.46037   123.09166   179.86583
   21    20 S   HC   _HA2    21     1.09513   108.81759    10.02825
   22    20 S   C    _C2_    22     1.53729   110.22770  -105.22144
   23    22 S   O    _O2_    23     1.23095   121.58955  -159.55288
   24    20 S   CT   _CB2    32     1.53712   111.85538   132.05466
   25    24 S   HC   HB21    33     1.09678   109.23558    70.32586
   26    24 S   HC   HB22    34     1.09519   110.86397  -173.02748
   27    22 S   N    _N3_    24     1.38118   114.27403    26.60865
   28    27 S   H    _HN3    25     1.01483   119.40901    -1.53633
   29    24 S   S    _SG2    35     1.83129   115.40865   -48.77177
   30    27 S   CT   _CA3    26     1.45337   123.89441   177.93626
   31    30 S   HC   HA31    27     1.09448   107.19520   -77.41294
   32    30 S   HC   HA32    28     1.09527   108.58629    39.37810
   33    29 S   CT   _C6_    36     1.82566   100.91139   -64.39116
   34    33 S   HC   _H3_    37     1.09216   112.05961    29.21778
   35    30 S   CO3  _C3_    29     1.53095   113.73747   161.88135
   36    35 S   O2Z  _O31    30     1.26447   116.07258     3.44537
   37    35 S   O2Z  _O32    31     1.26432   114.56517  -176.37210
   38    33 S   CM   _C7_    38     1.50703   109.74963   -94.97668
   39    38 S   HC   _H9_    39     1.09251   115.23644   -75.49646
   40    33 S   CO4  _C5_    76     1.52804   107.53102   145.19407
   41    40 S   O    _O34    77     1.22460   125.78163   104.04652
   42    38 S   CMA  _C8_    40     1.35539   128.02508   108.09004
   43    42 S   OM   _O38    41     1.26011   127.02647   174.56628
   44    40 S   OS   _O33    78     1.36929   109.35432   -75.59197
   45    42 S   NE   _N4_    42     1.39225   120.71819    -6.71379
   46    45 S   H    _H10    43     1.01458   115.01468    -9.57306
   47    44 S   CT   _C4_    79     1.43036   115.52289   178.82580
   48    47 S   HC   _H6_    80     1.09299   108.11145  -179.82983
   49    47 S   HC   _H7_    81     1.09408   110.28295    61.47125
   50    47 S   HC   _H8_    82     1.09412   110.26584   -61.18039
   51    45 S   CT   _C9_    44     1.46005   130.69053   169.08521
   52    51 S   HC   _H11    45     1.09636   108.09325   126.94919
   53    51 S   HC   _H12    46     1.09583   112.70365     9.65897
   54    51 S   CT1  _C10    47     1.53244   110.02478  -112.74894
   55    54 S   HC   _H4_    48     1.09524   110.76374   171.66014
   56    54 S   C    _C11    49     1.52095   110.26502   -66.46837
   57    56 S   O    _O35    50     1.22925   122.18006    93.11105
   58    54 S   NP   _N6_    72     1.49328   109.11805    55.19693
   59    58 S   H    _H21    73     1.02841   111.42367    58.94654
   60    58 S   H    _H22    74     1.03021   109.96053   -59.25102
   61    58 S   H    _H23    75     1.02742   112.10232  -179.26352
   62    56 S   N    _N5_    51     1.38370   112.74404   -85.08660
   63    62 S   H    _H13    52     1.01660   120.14016    -4.27677
   64    62 S   CT1  _C12    53     1.46510   123.21080   172.52814
   65    64 S   HC   _H5_    54     1.09718   106.06156   -48.06744
   66    64 S   CO3  _C20    55     1.54384   110.98291  -166.80654
   67    66 S   O2Z  _O37    56     1.26547   115.23521   -37.62407
   68    66 S   O2Z  _O36    57     1.26257   115.27291   141.74572
   69    64 S   CT   _C13    58     1.53759   111.52325    73.07022
   70    69 S   HC   _H14    59     1.09813   111.30108    86.52305
   71    69 S   HC   _H15    60     1.09778   111.09960   -29.88702
   72    69 S   CA   _C14    61     1.51105   112.10545  -150.29173
   73    72 S   CA   _C15    62     1.40034   120.85680   -97.45510
   74    73 S   HA   _H16    63     1.08709   120.40168    -0.72685
   75    73 S   CA   _C16    64     1.39577   120.35518   178.47582
   76    75 S   HA   _H17    65     1.08616   119.92369  -179.41583
   77    75 S   CA   _C17    66     1.39385   120.12154    -0.02798
   78    77 S   HA   _H18    67     1.08610   120.01633  -179.27747
   79    77 S   CA   _C18    68     1.39329   119.97999    -0.08156
   80    79 S   HA   _H19    69     1.08591   120.03256  -179.19473
   81    72 S   CA   _C19    70     1.40239   120.06610    80.87598
   82    81 S   HA   _H20    71     1.08721   120.23024     0.83767
  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   8   5   4   3
  10   6   2   1   1   9   4   7   2   7   3   4   8   4   3   2
   1   1  11   5   4  10   7  11   4   4   2   1   1  10   4  10
   7   6   2   1   9   4   3   9   8   4   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    40    41    44    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    45    46    51    40    41    44  
   42    43    45    40  
   41    44    47    48    49    50    42  
   44    47  
   43    45    46    51    52    53    54  
   45    46    51  
   47    48    49    50  
   46    51    52    53    54    55    56    58  
   51    52    53    54  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    62    58    59    60    61  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    62    63    64    58    59    60    61  
   56    57    62    58    59    60    61  
   57    62    63    64    65    66    69    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73    81  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72    73    74    75    79    81    82  
   71    72    73    81  
   72    73    81  
   73    74    75    76    77    79    80    81    82  
   74    75    76    77    78    79    81    82  
   75    76    77    81  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82  
   81    82  
   82  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    45   415.000  1.382
   45    46   434.000  1.010
   45    51   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    58   367.000  1.471
   56    57   570.000  1.229
   56    62   490.000  1.335
   62    63   434.000  1.010
   62    64   337.000  1.449
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    69   268.000  1.529
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   469.000  1.400
   72    81   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   58    59   434.000  1.010
   58    60   434.000  1.010
   58    61   434.000  1.010
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    81.00000  111.40000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    45    75.00000  114.40000
   42    38    39    40.00000  120.50800
   42    45    46    50.00000  121.48000
   42    45    51    50.00000  121.00000
   45    42    43   105.00000  113.92000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    80.00000  111.61500
   51    45    46    35.00000  112.50000
   51    54    55    37.50000  110.70000
   51    54    56    63.00000  111.10000
   51    54    58    80.00000  111.20000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    62    70.00000  116.60000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   56    54    55    35.00000  109.50000
   56    62    63    35.00000  119.80000
   56    62    64    50.00000  121.90000
   62    56    57    80.00000  122.90000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  110.10000
   62    64    69    80.00000  109.70000
   64    62    63    38.00000  118.40000
   64    66    67    70.00000  117.00000
   64    66    68    70.00000  117.00000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    63.00000  114.00000
   66    64    65    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    64    65    37.50000  110.70000
   69    64    66    63.00000  111.10000
   69    72    73    70.00000  120.00000
   69    72    81    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    81    79    63.00000  120.00000
   72    81    82    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   81    72    73    63.00000  120.00000
   81    79    80    35.00000  120.00000
   58    54    55    35.00000  109.50000
   58    54    56    80.00000  111.20000
   60    58    59    35.00000  109.50000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    44    47    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.40000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    45   7.00000 -1.0 2.0
   33    40    44    47   1.63150  1.0 1.0
   33    40    44    47   2.92000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.40000  1.0 3.0
   38    42    45    46   1.00000 -1.0 2.0
   38    42    45    51  -0.54700  1.0 1.0
   38    42    45    51   1.23000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    45   7.00000 -1.0 2.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    53   0.00000  1.0 1.0
   42    45    51    54   0.25450  1.0 1.0
   42    45    51    54  -0.61700 -1.0 2.0
   42    45    51    54  -0.23550  1.0 3.0
   43    42    45    46   1.00000 -1.0 2.0
   43    42    45    51   1.00000 -1.0 2.0
   45    51    54    55   0.22950  1.0 3.0
   45    51    54    56  -2.10200  1.0 1.0
   45    51    54    56  -0.31600 -1.0 2.0
   45    51    54    56   0.13050  1.0 3.0
   45    51    54    58   2.45700  1.0 1.0
   45    51    54    58   1.17300 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   46    45    51    54   0.00000  1.0 1.0
   51    54    56    57   0.00000  1.0 1.0
   51    54    56    62   0.93250  1.0 1.0
   51    54    56    62   0.04450 -1.0 2.0
   51    54    56    62   0.17550  1.0 3.0
   51    54    58    59   0.17350  1.0 3.0
   51    54    58    60   0.17350  1.0 3.0
   51    54    58    61   0.17350  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56  -0.03800  1.0 3.0
   52    51    54    58   0.23200  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56  -0.03800  1.0 3.0
   53    51    54    58   0.23200  1.0 3.0
   54    56    62    63   2.45000 -1.0 2.0
   54    56    62    64   1.15000  1.0 1.0
   54    56    62    64   3.04450 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    62   0.00000  1.0 1.0
   55    54    58    59   0.13050  1.0 3.0
   55    54    58    60   0.13050  1.0 3.0
   55    54    58    61   0.13050  1.0 3.0
   56    54    58    59   0.17350  1.0 3.0
   56    54    58    60   0.17350  1.0 3.0
   56    54    58    61   0.17350  1.0 3.0
   56    62    64    65   0.00000  1.0 1.0
   56    62    64    66  -0.29800  1.0 1.0
   56    62    64    66   0.13950 -1.0 2.0
   56    62    64    66  -2.45650  1.0 3.0
   56    62    64    69   0.25950  1.0 1.0
   56    62    64    69   0.43850 -1.0 2.0
   56    62    64    69   2.61650  1.0 3.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    64   3.04450 -1.0 2.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    69    70   0.23200  1.0 3.0
   62    64    69    71   0.23200  1.0 3.0
   62    64    69    72   0.42250  1.0 1.0
   62    64    69    72  -0.48100 -1.0 2.0
   62    64    69    72   0.35650  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    69    72    73   0.00000  1.0 1.0
   64    69    72    81   0.00000  1.0 1.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.23100  1.0 3.0
   66    64    69    70  -0.03800  1.0 3.0
   66    64    69    71  -0.03800  1.0 3.0
   66    64    69    72  -0.84850  1.0 1.0
   66    64    69    72  -0.22800 -1.0 2.0
   66    64    69    72   0.29250  1.0 3.0
   69    64    66    67   0.00000  1.0 1.0
   69    64    66    68   0.00000  1.0 1.0
   69    72    73    74   3.62500 -1.0 2.0
   69    72    73    75   3.62500 -1.0 2.0
   69    72    81    79   3.62500 -1.0 2.0
   69    72    81    82   3.62500 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    81   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    81   0.00000  1.0 1.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    81    79   3.62500 -1.0 2.0
   73    72    81    82   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    72   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   80    79    81    72   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    72    73    74   3.62500 -1.0 2.0
   81    72   -73    75   3.62500 -1.0 2.0
   58    54    56    57   0.00000  1.0 1.0
   58    54    56    62   0.37150  1.0 1.0
   58    54    56    62   1.25400 -1.0 2.0
   58    54    56    62  -0.40250  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    49   0.08050  1.0 3.0
   40    44    47    50   0.08050  1.0 3.0
   41    40    44    47   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   45    43    42    38  15.00000 -1.0 2.0
   46    42    45    51   1.00000 -1.0 2.0
   54    62    56    57  10.50000 -1.0 2.0
   63    56    62    64   1.00000 -1.0 2.0
   67    64    66    68  10.50000 -1.0 2.0
   73    81    72    69   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    72   1.10000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
END
