* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    153    243     451
    1     0 S   NP   _N1_     1    28.59346    96.70399   -23.21998
    2     1 S   H    _HN1     2     1.02786   103.10900   -87.67541
    3     1 S   H    _H1_     3     1.02949    70.13355    17.37400
    4     1 S   H    _H2_     4     1.02829    41.14852   170.04610
    5     1 S   CT   _CA1     5     1.50109   141.67012   115.47439
    6     5 S   HC   _HA1     6     1.09573   105.20148    94.25714
    7     5 S   CO3  _C1_     7     1.53786   112.42983   -25.99073
    8     7 S   O2Z  _O11     8     1.26372   115.01141   -43.53154
    9     7 S   O2Z  _O12     9     1.26238   114.94071   135.58541
   10     5 S   CT   _CB1    10     1.53076   107.41885  -147.77411
   11    10 S   HC   HB11    11     1.09833   109.37697   -49.80198
   12    10 S   HC   HB12    12     1.09813   110.45270    66.80242
   13    10 S   CT   _CG1    13     1.52992   112.60136  -170.77529
   14    13 S   HC   HG11    14     1.09583   110.63290   -65.41663
   15    13 S   HC   HG12    15     1.09669   109.79153    53.81798
   16    13 S   C    _CD1    16     1.51800   112.20096   174.27412
   17    16 S   O    _OE1    17     1.22736   123.27101     6.84384
   18    16 S   N    _N2_    18     1.38641   111.67694  -173.23549
   19    18 S   H    _HN2    19     1.01583   118.98983     1.57644
   20    18 S   CT1  _CA2    20     1.46188   123.40477   177.79655
   21    20 S   HC   _HA2    21     1.09748   109.30458     3.68923
   22    20 S   C    _C2_    22     1.53563   109.00116  -111.78435
   23    22 S   O    _O2_    23     1.23074   122.22610  -150.04496
   24    20 S   CT   _CB2    32     1.53265   111.45853   125.57612
   25    24 S   HC   HB21    33     1.09522   110.22184    55.94129
   26    24 S   HC   HB22    34     1.09504   110.15116   175.01119
   27    22 S   N    _N3_    24     1.38312   113.79594    37.56187
   28    27 S   H    _HN3    25     1.01575   119.56353    -3.55842
   29    24 S   S    _SG2    35     1.82747   111.34495   -65.48209
   30    27 S   CT   _CA3    26     1.45280   123.23455   176.99789
   31    30 S   HC   HA31    27     1.09550   107.53272   -63.95989
   32    30 S   HC   HA32    28     1.09556   107.96182    52.47808
   33    29 S   CT   _C20    36     1.87989    99.18381   179.70392
   34    33 S   HC   _H6_    37     1.09815   106.25561    29.75203
   35    30 S   CO3  _C3_    29     1.52961   114.06906   174.45320
   36    35 S   O2Z  _O31    30     1.26377   116.06297    -0.75847
   37    35 S   O2Z  _O32    31     1.26425   114.41253   179.29919
   38    33 S   CT   _C19    38     1.57330   105.82253   -87.05001
   39    38 S   OM   _O35    39     1.32306   109.23550   161.10415
   40    38 S   HC   _H5_    40     1.10085   107.28452    35.26031
   41    38 S   CT   _C18    41     1.55094   112.03586   -78.50880
   42    41 S   HC   _H23    42     1.09928   111.02016  -171.44705
   43    41 S   HC   _H24    43     1.09869   108.61794    73.19709
   44    41 S   CT   _C17    44     1.52750   114.49366   -47.21144
   45    44 S   HC   _H21    45     1.09724   109.15925   173.54688
   46    44 S   HC   _H22    46     1.09580   109.32294   -71.34278
   47    44 S   CT   _C16    47     1.52847   111.01452    53.00404
   48    47 S   HC   _H4_    48     1.09807   109.14724    73.27102
   49    33 S   CT   _C12    49     1.57350   109.54339   146.78042
   50    47 S   NP   _N4_    61     1.51697   109.67291  -168.55184
   51    50 S   H    _H3_    62     1.02868   111.34159   -39.83935
   52    49 S   CA   _C8_    50     1.55927   115.45881   -49.34169
   53    50 S   CT   _C14    63     1.52601   105.59173    80.05275
   54    53 S   HC   _H17    64     1.09442   107.14542   -97.98566
   55    53 S   HC   _H18    65     1.09424   109.28985   143.36577
   56    52 S   CA   _C9_    51     1.40490   122.13338   -32.96643
   57    56 S   HA   _H11    52     1.08459   118.78897    -0.63888
   58    49 S   CT   _C13    66     1.55359   115.50094  -170.68865
   59    58 S   HC   _H15    67     1.09672   113.08398    86.17518
   60    58 S   HC   _H16    68     1.09070   113.69127   -34.43668
   61    56 S   CA   _C10    53     1.40147   121.19823   179.61033
   62    61 S   CA   _C5_    54     1.40612   119.80226     2.27417
   63    61 S   OS   _O34    74     1.37435   124.33709  -178.37021
   64    62 S   CA   _C6_    55     1.39796   119.53200     0.61485
   65    64 S   HA   _H10    56     1.08624   121.27013   178.23475
   66    62 S   OS   _O33    69     1.37342   115.87541   179.88297
   67    63 S   CT   _C11    75     1.42276   117.30357     8.47753
   68    67 S   HC   _H12    76     1.09428   107.71858   174.82222
   69    67 S   HC   _H13    77     1.09526   111.34703    57.02315
   70    67 S   HC   _H14    78     1.09474   110.98004   -67.60479
   71    52 S   CA   _C7_    57     1.41366   119.40027   151.54872
   72    66 S   CT   _C4_    70     1.42215   117.41637   178.28320
   73    72 S   HC   _H7_    71     1.09429   107.74115  -178.41464
   74    72 S   HC   _H8_    72     1.09488   111.07888    63.91345
   75    72 S   HC   _H9_    73     1.09499   111.20219   -60.66003
   76    71 S   CT   _C15    58     1.50968   120.15269     1.68656
   77    76 S   HC   _H19    59     1.09547   111.46290   129.98825
   78    76 S   HC   _H20    60     1.09579   110.43427  -108.66572
  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  10   5   4   3
  19   8   2   1   1  12   6   5   9   5   4  11   5   4  16   7
  15  13   8  15   9   5   4  10   4   4   1   1  11  11   6   7
   3   5   3   2   1   1   3   3   2   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    49    52    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    49    52    56    71    50    53    58    59    60  
   38    39    40    41    47    49    52    58  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    49    52    58  
   40    41    42    43    44    49  
   41    42    43    44    49  
   42    43    44    45    46    47    48    49    50  
   43    44    45    46    47  
   44    45    46    47  
   45    46    47    48    49    52    76    50    51    53    58  
   46    47    48    49    50  
   47    48    49    50  
   48    49    52    56    71    76    77    78    50    51    53    54    55    58    59    60  
   49    52    76    50    51    53    58  
   52    56    57    61    64    71    76    50    51    53    54    55    58    59    60  
   51    53    54    55    58    59    60    52    64    71    76    77    78  
   53    54    55    58    71    76    77    78  
   56    57    61    62    64    65    71    76    77    78    53    58    59    60    63  
   54    55    58    59    60    71    76    77    78  
   55    58    59    60    76  
   58    59    60    76  
   57    61    62    64    71    76    58    66    63    67  
   61    62    71    63  
   59    60    71    76  
   60  
    0  
   62    64    65    71    66    72    63    67    68    69    70  
   64    65    71    76    66    72    73    74    75    63    67  
   67    68    69    70    64    66  
   65    71    76    77    78    66    72  
   71    76    66  
   72    73    74    75    71  
   68    69    70  
   69    70  
   70  
    0  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78  
   78  
    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   2.5000   0.0300   0.060000   1.6450   1.4500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   51   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   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    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   268.000  1.529
   33    49   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   367.000  1.471
   49    52   317.000  1.510
   49    58   268.000  1.529
   52    56   469.000  1.400
   52    71   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   469.000  1.400
   62    66   450.000  1.364
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    50   367.000  1.471
   50    51   434.000  1.010
   50    53   367.000  1.471
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    47    58.35000  112.70000
   33    49    52    70.00000  112.17500
   33    49    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    50    80.00000  111.20000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    52    70.00000  112.17500
   47    49    58    58.35000  112.70000
   47    50    76    75.00000  113.01200
   47    50    51    35.00000  109.50000
   47    50    53    75.00000  113.01200
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    56    70.00000  120.00000
   49    52    71    70.00000  120.00000
   49    58    53    58.35000  112.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   52    56    57    35.00000  120.00000
   52    56    61    63.00000  120.00000
   52    71    64    63.00000  120.00000
   52    71    76    70.00000  120.00000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    67    75.00000  111.00000
   62    64    65    35.00000  120.00000
   62    64    71    63.00000  120.00000
   62    66    72    75.00000  111.00000
   64    71    76    70.00000  120.00000
   71    52    56    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    50    75.00000  110.83300
   76    50    51    35.00000  109.50000
   76    50    53    75.00000  113.01200
   78    76    77    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    80.00000  111.20000
   50    76    77    35.00000  109.50000
   50    76    78    35.00000  109.50000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    58    80.00000  111.20000
   53    50    51    35.00000  109.50000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   55    53    54    33.00000  107.80000
   58    49    52    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   66    62    64    70.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    61    62    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   29    33    49    58   0.44750  1.0 1.0
   29    33    49    58  -0.17800 -1.0 2.0
   29    33    49    58   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    49    52    56   0.04150 -1.0 2.0
   33    49    52    71   0.04150 -1.0 2.0
   33    49    58    53   0.56750  1.0 1.0
   33    49    58    53  -0.07550 -1.0 2.0
   33    49    58    53   0.20000  1.0 3.0
   33    49    58    59   0.15000  1.0 3.0
   33    49    58    60   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    47   0.15000  1.0 3.0
   34    33    49    52   0.43200  1.0 3.0
   34    33    49    58   0.15000  1.0 3.0
   38    33    49    47   0.56750  1.0 1.0
   38    33    49    47  -0.07550 -1.0 2.0
   38    33    49    47   0.20000  1.0 3.0
   38    33    49    52  -0.03700  1.0 1.0
   38    33    49    52   0.37200 -1.0 2.0
   38    33    49    52  -0.47300  1.0 3.0
   38    33    49    58   0.56750  1.0 1.0
   38    33    49    58  -0.07550 -1.0 2.0
   38    33    49    58   0.20000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41   -44    47   0.56750  1.0 1.0
   38    41   -44    47  -0.07550 -1.0 2.0
   38    41   -44    47   0.20000  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.62750  1.0 1.0
   39    38    41    44  -0.30950 -1.0 2.0
   39    38    41    44   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    49   0.56750  1.0 1.0
   41    44    47    49  -0.07550 -1.0 2.0
   41    44    47    49   0.20000  1.0 3.0
   41    44    47    50   1.36600  1.0 1.0
   41    44    47    50  -0.11450 -1.0 2.0
   41    44    47    50   0.24250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    47   -49    33   0.56750  1.0 1.0
   44    47   -49    33  -0.07550 -1.0 2.0
   44    47   -49    33   0.20000  1.0 3.0
   44    47    49    52  -0.03700  1.0 1.0
   44    47    49    52   0.37200 -1.0 2.0
   44    47    49    52  -0.47300  1.0 3.0
   44    47    49    58   0.56750  1.0 1.0
   44    47    49    58  -0.07550 -1.0 2.0
   44    47    49    58   0.20000  1.0 3.0
   44    47    50    76   0.47100  1.0 1.0
   44    47    50    51   0.17350  1.0 3.0
   44    47    50    53   0.47100  1.0 1.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.19200  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.19200  1.0 3.0
   47    49    52    56   0.04150 -1.0 2.0
   47    49    52    71   0.04150 -1.0 2.0
   47    49   -58    53   0.56750  1.0 1.0
   47    49   -58    53  -0.07550 -1.0 2.0
   47    49   -58    53   0.20000  1.0 3.0
   47    49    58    59   0.15000  1.0 3.0
   47    49    58    60   0.15000  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50   -53    58   0.47100  1.0 1.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    52   0.43200  1.0 3.0
   48    47    49    58   0.15000  1.0 3.0
   48    47    50    76   0.15000  1.0 3.0
   48    47    50    51   0.13050  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    33    38    39   0.62750  1.0 1.0
   49    33    38    39  -0.30950 -1.0 2.0
   49    33    38    39   0.27300  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    47    50    76   0.47100  1.0 1.0
   49    47    50    51   0.17350  1.0 3.0
   49    47   -50    53   0.47100  1.0 1.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    56    61   3.62500 -1.0 2.0
   49    52    71    64   3.62500 -1.0 2.0
   49    52   -71    76   3.62500 -1.0 2.0
   52    49    58    53  -0.03700  1.0 1.0
   52    49    58    53   0.37200 -1.0 2.0
   52    49    58    53  -0.47300  1.0 3.0
   52    49    58    59   0.43200  1.0 3.0
   52    49    58    60   0.43200  1.0 3.0
   52    56    61    62   3.62500 -1.0 2.0
   52    56    61    63   3.62500 -1.0 2.0
   52    71    76    77   0.00000  1.0 1.0
   52    71    76    78   0.00000  1.0 1.0
   52    71    76    50  -0.46400 -1.0 2.0
   56    52    71    64   3.62500 -1.0 2.0
   56    52    71    76   3.62500 -1.0 2.0
   56    61   -62    64   3.62500 -1.0 2.0
   56    61    62    66   3.62500 -1.0 2.0
   56    61    63    67   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    71   3.62500 -1.0 2.0
   61    62    66    72   1.63200 -1.0 2.0
   61    63    67    68   0.08050  1.0 3.0
   61    63    67    69   0.08050  1.0 3.0
   61    63    67    70   0.08050  1.0 3.0
   62    61    63    67   1.63200 -1.0 2.0
   62    64   -71    52   3.62500 -1.0 2.0
   62    64    71    76   3.62500 -1.0 2.0
   62    66    72    73   0.08050  1.0 3.0
   62    66    72    74   0.08050  1.0 3.0
   62    66    72    75   0.08050  1.0 3.0
   64    62    66    72   1.63200 -1.0 2.0
   64    71    76    77   0.00000  1.0 1.0
   64    71    76    78   0.00000  1.0 1.0
   64    71    76    50  -0.46400 -1.0 2.0
   65    64    71    52   3.62500 -1.0 2.0
   65    64    71    76   3.62500 -1.0 2.0
   71    52    56    57   3.62500 -1.0 2.0
   71    52   -56    61   3.62500 -1.0 2.0
   71    76   -50    47   0.03550  1.0 1.0
   71    76   -50    47   0.09800 -1.0 2.0
   71    76    50    51   0.17350  1.0 3.0
   71    76    50    53   0.03550  1.0 1.0
   71    76    50    53   0.09800 -1.0 2.0
   76    50    53    54   0.15000  1.0 3.0
   76    50    53    55   0.15000  1.0 3.0
   76    50    53    58   0.47100  1.0 1.0
   77    76    50    47   0.15000  1.0 3.0
   77    76    50    51   0.13050  1.0 3.0
   77    76    50    53   0.15000  1.0 3.0
   78    76    50    47   0.15000  1.0 3.0
   78    76    50    51   0.13050  1.0 3.0
   78    76    50    53   0.15000  1.0 3.0
   50    47    49    33   1.36600  1.0 1.0
   50    47    49    33  -0.11450 -1.0 2.0
   50    47    49    33   0.24250  1.0 3.0
   50    47   -49    52   1.24050  1.0 1.0
   50    47   -49    52   0.48100 -1.0 2.0
   50    47   -49    52   1.08150  1.0 3.0
   50    47   -49    58   1.36600  1.0 1.0
   50    47   -49    58  -0.11450 -1.0 2.0
   50    47   -49    58   0.24250  1.0 3.0
   50    53   -58    49   1.36600  1.0 1.0
   50    53   -58    49  -0.11450 -1.0 2.0
   50    53   -58    49   0.24250  1.0 3.0
   50    53    58    59   0.19200  1.0 3.0
   50    53    58    60   0.19200  1.0 3.0
   51    50    53    54   0.13050  1.0 3.0
   51    50    53    55   0.13050  1.0 3.0
   51    50    53    58   0.17350  1.0 3.0
   54    53    58    49   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   55    53    58    49   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   58    49    52    56   0.04150 -1.0 2.0
   58    49    52    71   0.04150 -1.0 2.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    71   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   56    71    52    49   4.00000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   64    66    62    61   4.00000 -1.0 2.0
   71    65    64    62   1.10000 -1.0 2.0
   64    76    71    52   4.00000 -1.0 2.0
END
