* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    223     431
    1     0 S   NP   _N1_     1    28.93057    94.19227   -19.96951
    2     1 S   H    _HN1     2     1.02958    97.89576    23.26383
    3     1 S   H    _H1_     3     1.02835    35.26610   131.80225
    4     1 S   H    _H2_     4     1.02775    79.20413   -83.97790
    5     1 S   CT   _CA1     5     1.50128   142.88870   163.33971
    6     5 S   HC   _HA1     6     1.09571   105.26884    40.50060
    7     5 S   CO3  _C1_     7     1.53879   112.10999   -79.74695
    8     7 S   O2Z  _O11     8     1.26371   115.02690   -48.12471
    9     7 S   O2Z  _O12     9     1.26235   114.87627   130.73105
   10     5 S   CT   _CB1    10     1.53060   107.38529   158.38161
   11    10 S   HC   HB11    11     1.09821   109.56248   -49.87387
   12    10 S   HC   HB12    12     1.09815   110.29823    66.67364
   13    10 S   CT   _CG1    13     1.53019   112.62967  -170.94496
   14    13 S   HC   HG11    14     1.09523   110.27262   -58.15425
   15    13 S   HC   HG12    15     1.09613   110.19772    60.97654
   16    13 S   C    _CD1    16     1.51807   111.99775  -178.71824
   17    16 S   O    _OE1    17     1.22762   123.10573   -11.46656
   18    16 S   N    _N2_    18     1.38629   111.87236   168.78602
   19    18 S   H    _HN2    19     1.01574   118.94003     1.18300
   20    18 S   CT1  _CA2    20     1.46189   123.20275  -175.49924
   21    20 S   HC   _HA2    21     1.09718   109.26922   -12.99692
   22    20 S   C    _C2_    22     1.53300   108.54763  -129.07837
   23    22 S   O    _O2_    23     1.23027   122.15690  -145.99732
   24    20 S   CT   _CB2    32     1.53655   111.66685   108.75911
   25    24 S   HC   HB21    33     1.09289   109.65325    64.47804
   26    24 S   HC   HB22    34     1.09495   109.91963  -178.41736
   27    22 S   N    _N3_    24     1.38464   113.42927    41.19613
   28    27 S   H    _HN3    25     1.01533   118.91413    -0.43790
   29    24 S   S    _SG2    35     1.83161   111.63503   -59.21174
   30    27 S   CT   _CA3    26     1.45430   123.34519   175.31738
   31    30 S   HC   HA31    27     1.09532   109.10901    26.87392
   32    30 S   HC   HA32    28     1.09493   107.15947   143.84300
   33    29 S   CT   _C12    36     1.87592   102.30508   138.33603
   34    30 S   CO3  _C3_    29     1.52920   113.17301   -96.52040
   35    34 S   O2Z  _O31    30     1.26396   115.41911   -44.66470
   36    34 S   O2Z  _O32    31     1.26358   114.96956   136.27648
   37    33 S   CO4  _C13    37     1.55308   105.57492   -55.20161
   38    37 S   O    _O33    38     1.23349   122.11463   -47.13881
   39    33 S   CT   _C7_    52     1.57744   111.54213  -172.57197
   40    39 S   HC   _H3_    53     1.10192   104.90493   179.34270
   41    37 S   CM   _C14    39     1.49440   119.87826   133.19030
   42    39 S   CM   _C5_    54     1.53546   118.18910    63.55119
   43    41 S   CM   _C15    40     1.33756   121.20194    12.89515
   44    42 S   CM   _C6_    55     1.34568   120.25614   108.07964
   45    44 S   HC   _H8_    56     1.08578   121.41238   179.55325
   46    44 S   HC   _H9_    57     1.08489   121.83035    -1.30536
   47    42 S   CT   _C4_    58     1.50425   120.69412   -74.01691
   48    47 S   HC   _H5_    59     1.09310   111.58934   -44.37195
   49    47 S   HC   _H6_    60     1.09240   111.01154    77.68762
   50    47 S   HC   _H7_    61     1.09629   111.61880  -163.34693
   51    41 S   OS   _O36    76     1.38576   118.01142  -173.08159
   52    43 S   CO4  _C16    41     1.48314   118.28410    -1.45710
   53    52 S   O    _O34    42     1.22658   118.86871   142.69719
   54    43 S   OS   _O35    71     1.38201   121.35017   172.95477
   55    51 S   CT   _C18    77     1.42612   110.81126    78.59430
   56    55 S   HC   _H17    78     1.09392   107.90183   174.62057
   57    55 S   HC   _H18    79     1.09569   111.08904    56.25086
   58    55 S   HC   _H19    80     1.09411   111.33086   -67.02982
   59    33 S   CT   _C11    43     1.57004   110.41748    66.42151
   60    59 S   HC   _H4_    44     1.10047   109.74890   -50.38787
   61    54 S   CT   _C17    72     1.42543   112.10339   127.99636
   62    61 S   HC   _H14    73     1.09404   107.85216  -169.14585
   63    61 S   HC   _H15    74     1.09417   111.24097    72.75308
   64    61 S   HC   _H16    75     1.09577   111.20824   -50.79851
   65    59 S   CT   _C10    45     1.58178   115.71365    71.18742
   66    65 S   CT   _C9_    46     1.55087   110.08957    49.22983
   67    66 S   HC   _H12    47     1.09849   110.31102  -172.18895
   68    66 S   HC   _H13    48     1.09748   109.91520    71.91439
   69    65 S   CM   _C20    62     1.53404   111.67813   -71.73695
   70    69 S   HC   _H23    63     1.08855   117.56719   110.36850
   71    65 S   CT   _C19    67     1.55393   112.54409   169.66637
   72    71 S   HC   _H20    68     1.09358   112.84335   -77.88546
   73    71 S   HC   _H21    69     1.09781   111.41183   163.84111
   74    71 S   HC   _H22    70     1.09605   111.51408    43.45275
   75    66 S   CT   _C8_    49     1.53121   114.17150   -49.39529
   76    75 S   HC   _H10    50     1.09801   108.10130   175.63969
   77    75 S   HC   _H11    51     1.09508   109.71298   -69.27956
   78    69 S   CM   _C21    64     1.34098   125.92538   -70.46930
   79    78 S   HC   _H24    65     1.08497   120.31533  -179.66138
   80    78 S   HC   _H25    66     1.08397   122.01645     1.00930
  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  12   5   4   3
  21   2   1   1  14   5  20   8  11  12  12   7   2   1   4   2
   1   1   6   9   4   5   3   2   1   1  13   4   3   2   1   1
  15  12   6   5   9   4   5   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    59    60    65    75    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    43    52    53    59    60    65    66    75    76    77    39    40    42    44    47    69    71    51  
   35    36  
   36  
    0  
   38    41    43    52    59    60    65    75    39    40    42    54    51    55  
   41    43    59    39    51  
   40    42    44    45    46    47    48    49    50    41    52    59    60    65    66    67    68    75    76    77  
   42    44    47    59    66    75    76    77  
   43    52    53    59    54    61    51    55    56    57    58  
   44    45    46    47    48    49    50    59    66    75    76    77  
   52    53    59    60    65    54    61    62    63    64    51    55  
   45    46    47    48    49    50    75  
   46    47  
   47  
   48    49    50    75  
   49    50  
   50  
    0  
   55    56    57    58    52    54  
   53    59    60    65    66    69    71    54    61  
   59    60    65    54  
   61    62    63    64    59  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    75    69    70    78    71    72    73    74  
   65    66    69    71  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    75    76    77    69    70    78    79    80    71    72    73    74  
   67    68    75    76    77    69    70    78    71    72    73    74  
   68    75    76    77    69    71  
   75    76    77    69    71  
   70    78    79    80    71    72    73    74    75  
   78    79    80    71  
   72    73    74    75    78  
   73    74  
   74  
    0  
   76    77  
   77  
    0  
   79    80  
   80  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    59   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    43   549.000  1.340
   41    51   440.000  1.360
   43    52   320.000  1.462
   43    54   440.000  1.360
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    65   268.000  1.529
   65    66   268.000  1.529
   65    69   317.000  1.510
   65    71   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.510
   42    44   549.000  1.340
   42    47   317.000  1.510
   44    45   340.000  1.080
   44    46   340.000  1.080
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   69    70   340.000  1.080
   69    78   549.000  1.340
   78    79   340.000  1.080
   78    80   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    59    52    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    65    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    70.00000  112.02700
   37    41    43    65.00000  118.96000
   37    41    51    85.00000  116.28000
   41    37    38    80.00000  123.72100
   41    43    52    65.00000  118.96000
   41    43    54    80.00000  120.01400
   41    51    55    90.00000  111.18400
   43    52    53    80.00000  123.72100
   43    52    59    65.00000  118.62400
   43    54    61    90.00000  111.18400
   52    59    60    35.00000  109.50000
   52    59    65    63.00000  111.10000
   59    33    37    63.00000  111.10000
   59    52    53    80.00000  120.40000
   59    65    66    58.35000  112.70000
   59    65    69    70.00000  112.02700
   59    65    71    58.35000  112.70000
   65    59    60    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    75    58.35000  112.70000
   65    69    70    35.00000  117.00000
   65    69    78    70.00000  124.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   75    66    67    37.50000  110.70000
   75    66    68    37.50000  110.70000
   75    39    40    37.50000  110.70000
   75    39    42    70.00000  112.02700
   77    75    76    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    59    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   39    42    44    70.00000  124.00000
   39    42    47    65.00000  117.92700
   42    39    40    35.00000  109.50000
   42    44    45    35.00000  120.00000
   42    44    46    35.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   46    44    45    35.00000  117.00000
   47    42    44    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   69    65    66    70.00000  112.02700
   69    78    79    35.00000  120.00000
   69    78    80    35.00000  120.00000
   78    69    70    35.00000  120.00000
   80    78    79    35.00000  117.00000
   71    65    66    58.35000  112.70000
   71    65    69    70.00000  112.02700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    43    52    85.00000  116.28000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    41    43    80.00000  120.01400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    59    52   0.56750  1.0 1.0
   29    33    59    52  -0.07550 -1.0 2.0
   29    33    59    52   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    65   0.44750  1.0 1.0
   29    33    59    65  -0.17800 -1.0 2.0
   29    33    59    65   0.20200  1.0 3.0
   29    33    39    75   0.44750  1.0 1.0
   29    33    39    75  -0.17800 -1.0 2.0
   29    33    39    75   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    43  -0.33500  1.0 1.0
   33    37    41    43   1.06600 -1.0 2.0
   33    37    41    43  -0.14000  1.0 3.0
   33    37    41    51   0.32450 -1.0 2.0
   33    37    41    51   0.17400  1.0 3.0
   33    59    65    66   0.56750  1.0 1.0
   33    59    65    66  -0.07550 -1.0 2.0
   33    59    65    66   0.20000  1.0 3.0
   33    59    65    69   0.34400  1.0 1.0
   33    59    65    69   0.09450 -1.0 2.0
   33    59    65    69   0.11100  1.0 3.0
   33    59    65    71   0.56750  1.0 1.0
   33    59    65    71  -0.07550 -1.0 2.0
   33    59    65    71   0.20000  1.0 3.0
   33    39    42    44   0.09850  1.0 1.0
   33    39    42    44   0.15250 -1.0 2.0
   33    39    42    44  -0.50650  1.0 3.0
   33    39    42    47   0.46850  1.0 1.0
   33    39    42    47   0.08550 -1.0 2.0
   33    39    42    47   0.09800  1.0 3.0
   37    33    59    52   0.11950  1.0 1.0
   37    33    59    52   0.20300 -1.0 2.0
   37    33    59    52  -0.70800  1.0 3.0
   37    33    59    60  -0.11250  1.0 3.0
   37    33    59    65  -0.95700  1.0 1.0
   37    33    59    65  -0.18200 -1.0 2.0
   37    33    59    65   0.29450  1.0 3.0
   37    33    39    75  -0.95700  1.0 1.0
   37    33    39    75  -0.18200 -1.0 2.0
   37    33    39    75   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41   -43    52   7.00000 -1.0 2.0
   37    41    43    54   7.00000 -1.0 2.0
   37    41    51    55   0.15100 -1.0 2.0
   38    37    41    43   1.00000 -1.0 2.0
   38    37    41    51  -0.11900  1.0 1.0
   38    37    41    51   0.76850 -1.0 2.0
   38    37    41    51   0.14100  1.0 3.0
   41    43    52    53   1.00000 -1.0 2.0
   41    43    52    59  -0.33500  1.0 1.0
   41    43    52    59   1.06600 -1.0 2.0
   41    43    52    59  -0.14000  1.0 3.0
   41    43    54    61  -2.26850  1.0 1.0
   41    43    54    61   3.39050 -1.0 2.0
   41    51    55    56   0.08050  1.0 3.0
   41    51    55    57   0.08050  1.0 3.0
   41    51    55    58   0.08050  1.0 3.0
   43    41    51    55  -2.26850  1.0 1.0
   43    41    51    55   3.39050 -1.0 2.0
   43    52   -59    33   0.65300  1.0 1.0
   43    52   -59    33  -0.03850 -1.0 2.0
   43    52   -59    33   0.33900  1.0 3.0
   43    52    59    60   0.00000  1.0 1.0
   43    52    59    65   0.65300  1.0 1.0
   43    52    59    65  -0.03850 -1.0 2.0
   43    52    59    65   0.33900  1.0 3.0
   43    54    61    62   0.08050  1.0 3.0
   43    54    61    63   0.08050  1.0 3.0
   43    54    61    64   0.08050  1.0 3.0
   52    43    54    61   0.15100 -1.0 2.0
   52    59    65    66  -0.95700  1.0 1.0
   52    59    65    66  -0.18200 -1.0 2.0
   52    59    65    66   0.29450  1.0 3.0
   52    59    65    69  -0.98800  1.0 1.0
   52    59    65    69   0.48800 -1.0 2.0
   52    59    65    69   0.76800  1.0 3.0
   52    59    65    71  -0.95700  1.0 1.0
   52    59    65    71  -0.18200 -1.0 2.0
   52    59    65    71   0.29450  1.0 3.0
   53    52    59    33   0.30150 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.30150 -1.0 2.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    41   0.65300  1.0 1.0
   59    33   -37    41  -0.03850 -1.0 2.0
   59    33   -37    41   0.33900  1.0 3.0
   59    33    39    75   0.56750  1.0 1.0
   59    33    39    75  -0.07550 -1.0 2.0
   59    33    39    75   0.20000  1.0 3.0
   59    33    39    40   0.15000  1.0 3.0
   59    33    39    42   0.34400  1.0 1.0
   59    33    39    42   0.09450 -1.0 2.0
   59    33    39    42   0.11100  1.0 3.0
   59    65    66    67   0.15000  1.0 3.0
   59    65    66    68   0.15000  1.0 3.0
   59    65   -66    75   0.56750  1.0 1.0
   59    65   -66    75  -0.07550 -1.0 2.0
   59    65   -66    75   0.20000  1.0 3.0
   59    65    69    70   0.00000  1.0 1.0
   59    65    69    78   0.09850  1.0 1.0
   59    65    69    78   0.15250 -1.0 2.0
   59    65    69    78  -0.50650  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    74   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    69   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   65    66    75    76   0.15000  1.0 3.0
   65    66    75    77   0.15000  1.0 3.0
   65    66    75    39   0.56750  1.0 1.0
   65    66    75    39  -0.07550 -1.0 2.0
   65    66    75    39   0.20000  1.0 3.0
   65    69    78    79   7.00000 -1.0 2.0
   65    69    78    80   7.00000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    78   0.09850  1.0 1.0
   66    65    69    78   0.15250 -1.0 2.0
   66    65    69    78  -0.50650  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   66    75   -39    33   0.56750  1.0 1.0
   66    75   -39    33  -0.07550 -1.0 2.0
   66    75   -39    33   0.20000  1.0 3.0
   66    75    39    40   0.15000  1.0 3.0
   66    75    39    42   0.34400  1.0 1.0
   66    75    39    42   0.09450 -1.0 2.0
   66    75    39    42   0.11100  1.0 3.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    39   0.15000  1.0 3.0
   68    66    75    76   0.15000  1.0 3.0
   68    66    75    77   0.15000  1.0 3.0
   68    66    75    39   0.15000  1.0 3.0
   75    39    42    44   0.09850  1.0 1.0
   75    39    42    44   0.15250 -1.0 2.0
   75    39    42    44  -0.50650  1.0 3.0
   75    39    42    47   0.46850  1.0 1.0
   75    39    42    47   0.08550 -1.0 2.0
   75    39    42    47   0.09800  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    42   0.15000  1.0 3.0
   77    75    39    33   0.15000  1.0 3.0
   77    75    39    40   0.15000  1.0 3.0
   77    75    39    42   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    59    52  -0.95700  1.0 1.0
   39    33    59    52  -0.18200 -1.0 2.0
   39    33    59    52   0.29450  1.0 3.0
   39    33    59    60   0.15000  1.0 3.0
   39    33   -59    65   0.56750  1.0 1.0
   39    33   -59    65  -0.07550 -1.0 2.0
   39    33   -59    65   0.20000  1.0 3.0
   39    42    44    45   7.00000 -1.0 2.0
   39    42    44    46   7.00000 -1.0 2.0
   39    42    47    48   0.34800  1.0 3.0
   39    42    47    49   0.34800  1.0 3.0
   39    42    47    50   0.34800  1.0 3.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    47   0.34800  1.0 3.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    49   0.00000  1.0 1.0
   44    42    47    50   0.00000  1.0 1.0
   47    42    44    45   7.00000 -1.0 2.0
   47    42    44    46   7.00000 -1.0 2.0
   69    65    66    67   0.15000  1.0 3.0
   69    65    66    68   0.15000  1.0 3.0
   69    65    66    75   0.34400  1.0 1.0
   69    65    66    75   0.09450 -1.0 2.0
   69    65    66    75   0.11100  1.0 3.0
   69    65    71    72   0.15000  1.0 3.0
   69    65    71    73   0.15000  1.0 3.0
   69    65    71    74   0.15000  1.0 3.0
   70    69    78    79   7.00000 -1.0 2.0
   70    69    78    80   7.00000 -1.0 2.0
   71    65    66    67   0.15000  1.0 3.0
   71    65    66    68   0.15000  1.0 3.0
   71    65    66    75   0.56750  1.0 1.0
   71    65    66    75  -0.07550 -1.0 2.0
   71    65    66    75   0.20000  1.0 3.0
   71    65    69    70   0.00000  1.0 1.0
   71    65    69    78   0.09850  1.0 1.0
   71    65    69    78   0.15250 -1.0 2.0
   71    65    69    78  -0.50650  1.0 3.0
   54    43    52    53  -0.11900  1.0 1.0
   54    43    52    53   0.76850 -1.0 2.0
   54    43    52    53   0.14100  1.0 3.0
   54    43    52    59   0.32450 -1.0 2.0
   54    43    52    59   0.17400  1.0 3.0
   51    41    43    52   7.00000 -1.0 2.0
   51    41    43    54   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    51    41    43   1.10000 -1.0 2.0
   52    54    43    41   1.10000 -1.0 2.0
   43    59    52    53  10.50000 -1.0 2.0
   39    47    42    44  15.00000 -1.0 2.0
   45    46    44    42  15.00000 -1.0 2.0
   65    70    69    78  15.00000 -1.0 2.0
   79    80    78    69  15.00000 -1.0 2.0
END
