* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    157    231     455
    1     0 S   NP   _N1_     1    28.90520    97.17373   -19.31670
    2     1 S   H    _HN1     2     1.02789    77.42078   -68.72256
    3     1 S   H    _H1_     3     1.02955    85.28948    41.18244
    4     1 S   H    _H2_     4     1.02842    45.96527   160.56363
    5     1 S   CT   _CA1     5     1.50097   156.23581   174.36146
    6     5 S   HC   _HA1     6     1.09594   105.20592    48.70212
    7     5 S   CO3  _C1_     7     1.53728   112.26033   -71.26387
    8     7 S   O2Z  _O11     8     1.26326   115.09179   -50.57986
    9     7 S   O2Z  _O12     9     1.26238   114.83592   128.55142
   10     5 S   CT   _CB1    10     1.53100   107.40754   166.22244
   11    10 S   HC   HB11    11     1.09818   109.06585   -53.60540
   12    10 S   HC   HB12    12     1.09814   110.57412    62.83855
   13    10 S   CT   _CG1    13     1.53001   112.67080  -174.86100
   14    13 S   HC   HG11    14     1.09622   110.27810   -65.69458
   15    13 S   HC   HG12    15     1.09655   110.07564    53.42184
   16    13 S   C    _CD1    16     1.51865   112.36616   173.47953
   17    16 S   O    _OE1    17     1.22717   123.25346    -7.62277
   18    16 S   N    _N2_    18     1.38584   111.62181   173.29121
   19    18 S   H    _HN2    19     1.01589   118.96985    -0.16551
   20    18 S   CT1  _CA2    20     1.46263   123.54486   178.98355
   21    20 S   HC   _HA2    21     1.09732   109.41877   -12.35791
   22    20 S   C    _C2_    22     1.53491   108.11331  -127.86644
   23    22 S   O    _O2_    23     1.23010   122.29494  -145.82887
   24    20 S   CT   _CB2    32     1.53332   111.37401   110.00616
   25    24 S   HC   HB21    33     1.09527   109.62030    52.40697
   26    24 S   HC   HB22    34     1.09506   110.67234   171.27611
   27    22 S   N    _N3_    24     1.38523   113.34571    41.54997
   28    27 S   H    _HN3    25     1.01527   118.89790    -0.79031
   29    24 S   S    _SG2    35     1.82839   111.78107   -69.35471
   30    27 S   CT   _CA3    26     1.45463   123.58005   175.10615
   31    30 S   HC   HA31    27     1.09513   109.38984    21.19017
   32    30 S   HC   HA32    28     1.09499   107.07946   138.22914
   33    29 S   CT   _C21    36     1.83897    99.31408   167.05859
   34    33 S   HC   _H3_    37     1.09227   106.67257    41.81323
   35    30 S   CO3  _C3_    29     1.52923   113.02674  -102.38868
   36    35 S   O2Z  _O31    30     1.26408   115.37860   -44.47102
   37    35 S   O2Z  _O32    31     1.26349   114.99510   136.43109
   38    33 S   CM   _C22    38     1.50763   108.39082   159.81444
   39    38 S   HC   _H25    39     1.09015   117.28892    59.13324
   40    33 S   CM   _C20    43     1.50807   108.52924   -79.71741
   41    40 S   HC   _H24    44     1.09193   114.23659   -58.68957
   42    38 S   CMA  _C23    40     1.34808   124.29725  -121.47124
   43    42 S   OM   _O33    41     1.25860   131.40512  -179.63792
   44    42 S   HC   _H26    42     1.09143   113.06306     0.28255
   45    40 S   CM   _C19    45     1.34884   128.04912   121.10653
   46    45 S   CM   _C18    46     1.45971   121.00545  -179.00574
   47    46 S   HC   _H23    47     1.08828   115.43337  -133.84560
   48    45 S   CT   _C24    85     1.50380   125.48496     2.84565
   49    48 S   HC   _H27    86     1.09578   110.21205  -118.65559
   50    48 S   HC   _H28    87     1.09597   110.53143   121.71539
   51    48 S   HC   _H29    88     1.09165   113.62358     1.72533
   52    46 S   CM   _C17    48     1.34385   124.47119    48.02657
   53    52 S   HC   _H22    49     1.08474   118.92830    -0.36584
   54    52 S   CM   _C16    50     1.44906   122.85901   179.27747
   55    54 S   HC   _H21    51     1.09060   114.11062    -0.86908
   56    54 S   CM   _C15    52     1.35046   127.49867   179.10913
   57    56 S   CM   _C14    53     1.46594   118.25707   179.92598
   58    57 S   HC   _H20    54     1.09008   115.70915     0.62683
   59    56 S   CT   _C25    81     1.50867   124.61751    -0.25334
   60    59 S   HC   _H30    82     1.09586   110.42961  -120.10137
   61    59 S   HC   _H31    83     1.09576   110.43557   119.56704
   62    59 S   HC   _H32    84     1.09179   113.93350    -0.34150
   63    57 S   CM   _C13    55     1.34456   126.64231  -179.69545
   64    63 S   HC   _H19    56     1.08612   121.20066    -1.66248
   65    63 S   CM   _C6_    57     1.46199   123.74389  -178.35956
   66    65 S   CM   _C5_    58     1.35637   122.27761   -66.74449
   67    66 S   CT   _C10    59     1.51416   122.49694   179.81129
   68    67 S   HC   _H11    60     1.09690   109.98601   135.50250
   69    67 S   HC   _H12    61     1.09764   107.98513  -108.35084
   70    66 S   CT   _C4_    77     1.51099   124.95970    -0.86908
   71    70 S   HC   _H4_    78     1.09491   109.95062   112.85511
   72    70 S   HC   _H5_    79     1.09237   113.94618    -8.58815
   73    70 S   HC   _H6_    80     1.09563   110.10794  -127.89562
   74    67 S   CT   _C9_    62     1.52281   114.72068    13.63029
   75    74 S   HC   _H9_    63     1.09610   109.95072    79.81586
   76    74 S   HC   _H10    64     1.09623   109.49666  -163.61917
   77    74 S   CT   _C8_    65     1.51955   110.56040   -42.31395
   78    77 S   HC   _H7_    66     1.09741   109.32361  -177.48814
   79    77 S   HC   _H8_    67     1.09901   108.46789   -62.07451
   80    65 S   CT   _C7_    68     1.54343   115.13649   113.70994
   81    80 S   CT   _C11    69     1.54759   112.26873   -44.70536
   82    81 S   HC   _H13    70     1.09655   110.92143  -174.89554
   83    81 S   HC   _H14    71     1.09588   112.12342    65.73423
   84    81 S   HC   _H15    72     1.09632   111.26904   -55.13856
   85    80 S   CT   _C12    73     1.54539   109.36968    75.42585
   86    85 S   HC   _H16    74     1.09614   111.07965   174.21236
   87    85 S   HC   _H17    75     1.09543   111.93003    53.79198
   88    85 S   HC   _H18    76     1.09605   111.62482   -66.41145
  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
  11   6   2   1   1   7   4  10   3   2   1   1   9  10   4   4
   2   1   1   6   3   9   3   9  10   4   4   2   1   1   9   3
  21  14  13   6   5   5   2   1   1   8   5   4  11   4   3   8
   7   3   2   1   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    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    40    41    45    46    48  
   38    39    42    40    41    45  
   36    37  
   37  
    0  
   39    42    43    44    40    41    45  
   42    43    44    40  
   41    45    46    47    52    48    49    50    51    42  
   45    46    48  
   43    44  
   44  
    0  
   46    47    52    53    54    48    49    50    51  
   47    52    53    54    55    56    48    49    50    51  
   52    53    54    48  
   49    50    51    52  
   50    51  
   51  
    0  
   53    54    55    56    57    59  
   54    55    56  
   55    56    57    58    63    59    60    61    62  
   56    57    59  
   57    58    63    64    65    59    60    61    62  
   58    63    64    65    66    80    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    77    80    81    85    70  
   65    66    80  
   66    67    68    69    74    77    78    79    80    81    82    83    84    85    86    87    88    70    71    72    73  
   67    68    69    74    75    76    77    80    81    85    70    71    72    73  
   68    69    74    75    76    77    78    79    80    70    71    72    73  
   69    74    75    76    77    70  
   74    75    76    77    70  
   71    72    73    74    80  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81    85  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86    87    88  
   79    80    81    85  
   80    81    85  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    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   1.4250   1.2500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.510
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    44   335.000  1.111
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   380.000  1.444
   45    48   317.000  1.510
   46    47   340.000  1.080
   46    52   549.000  1.340
   52    53   340.000  1.080
   52    54   380.000  1.444
   54    55   340.000  1.080
   54    56   549.000  1.340
   56    57   380.000  1.444
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    63   549.000  1.340
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   549.000  1.340
   65    80   317.000  1.510
   66    67   317.000  1.510
   66    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   268.000  1.529
   80    85   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    45.00000  105.30000
   42    38    39    40.00000  120.50800
   44    42    43    50.00000  124.16400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    45    46    70.00000  123.01800
   40    45    48    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    52    70.00000  123.01800
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   46    52    53    35.00000  120.00000
   46    52    54    70.00000  123.01800
   52    46    47    35.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    70.00000  123.01800
   54    52    53    35.00000  120.00000
   54    56    57    70.00000  123.01800
   54    56    59    70.00000  124.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    63    70.00000  123.01800
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   57    63    64    35.00000  120.00000
   57    63    65    70.00000  123.01800
   63    57    58    35.00000  120.00000
   63    65    66    70.00000  123.01800
   63    65    80    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    70.00000  124.00000
   65    66    70    70.00000  124.00000
   65    80    77    70.00000  112.02700
   65    80    81    70.00000  112.02700
   65    80    85    70.00000  112.02700
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    74    70.00000  112.02700
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    58.35000  112.70000
   77    80    85    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    65    66    70.00000  124.00000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    81    82    37.50000  110.70000
   80    81    83    37.50000  110.70000
   80    81    84    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    80    81    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   70    66    67    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    56    57    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    45    46    70.00000  124.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    40    45   0.42700  1.0 1.0
   29    33    40    45  -0.70350 -1.0 2.0
   29    33    40    45  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    40    45    46   7.00000 -1.0 2.0
   33    40    45    48   7.00000 -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   0.33100  1.0 3.0
   34    33    40    45   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    45  -0.28300  1.0 1.0
   38    33    40    45   0.26700 -1.0 2.0
   38    33    40    45  -0.63300  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    45    46    47  -0.18600  1.0 3.0
   40    45    46    52   0.28850  1.0 1.0
   40    45    46    52   2.61350 -1.0 2.0
   40    45    46    52   0.78400  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    51   0.00000  1.0 1.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    48   7.00000 -1.0 2.0
   45    46    52    53   7.00000 -1.0 2.0
   45    46    52    54   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    51   0.00000  1.0 1.0
   46    52    54    55  -0.18600  1.0 3.0
   46    52    54    56   0.28850  1.0 1.0
   46    52    54    56   2.61350 -1.0 2.0
   46    52    54    56   0.78400  1.0 3.0
   47    46    52    53   7.00000 -1.0 2.0
   47    46    52    54   7.00000 -1.0 2.0
   52    54    56    57   7.00000 -1.0 2.0
   52    54    56    59   7.00000 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56  -0.18600  1.0 3.0
   54    56    57    58  -0.18600  1.0 3.0
   54    56    57    63   0.28850  1.0 1.0
   54    56    57    63   2.61350 -1.0 2.0
   54    56    57    63   0.78400  1.0 3.0
   54    56    59    60   0.00000  1.0 1.0
   54    56    59    61   0.00000  1.0 1.0
   54    56    59    62   0.00000  1.0 1.0
   55    54    56    57   7.00000 -1.0 2.0
   55    54    56    59   7.00000 -1.0 2.0
   56    57    63    64   7.00000 -1.0 2.0
   56    57    63    65   7.00000 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    62   0.00000  1.0 1.0
   57    63    65    66   0.28850  1.0 1.0
   57    63    65    66   2.61350 -1.0 2.0
   57    63    65    66   0.78400  1.0 3.0
   57    63    65    80  -0.18600  1.0 3.0
   58    57    63    64   7.00000 -1.0 2.0
   58    57    63    65   7.00000 -1.0 2.0
   63    65    66    67   7.00000 -1.0 2.0
   63    65    66    70   7.00000 -1.0 2.0
   63    65    80    77   0.98200  1.0 1.0
   63    65    80    77  -0.11900 -1.0 2.0
   63    65    80    77   0.24250  1.0 3.0
   63    65    80    81   0.98200  1.0 1.0
   63    65    80    81  -0.11900 -1.0 2.0
   63    65    80    81   0.24250  1.0 3.0
   63    65    80    85   0.98200  1.0 1.0
   63    65    80    85  -0.11900 -1.0 2.0
   63    65    80    85   0.24250  1.0 3.0
   64    63    65    66  -0.18600  1.0 3.0
   64    63    65    80   0.00000  1.0 1.0
   65    66    67    68   0.00000  1.0 1.0
   65    66    67    69   0.00000  1.0 1.0
   65    66    67    74   0.09850  1.0 1.0
   65    66    67    74   0.15250 -1.0 2.0
   65    66    67    74  -0.50650  1.0 3.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66    70    73   0.00000  1.0 1.0
   65    80    81    82   0.15000  1.0 3.0
   65    80    81    83   0.15000  1.0 3.0
   65    80    81    84   0.15000  1.0 3.0
   65    80    85    86   0.15000  1.0 3.0
   65    80    85    87   0.15000  1.0 3.0
   65    80    85    88   0.15000  1.0 3.0
   66    65    80    77   0.09850  1.0 1.0
   66    65    80    77   0.15250 -1.0 2.0
   66    65    80    77  -0.50650  1.0 3.0
   66    65    80    81   0.09850  1.0 1.0
   66    65    80    81   0.15250 -1.0 2.0
   66    65    80    81  -0.50650  1.0 3.0
   66    65    80    85   0.09850  1.0 1.0
   66    65    80    85   0.15250 -1.0 2.0
   66    65    80    85  -0.50650  1.0 3.0
   66    67    74    75   0.15000  1.0 3.0
   66    67    74    76   0.15000  1.0 3.0
   66    67   -74    77   0.34400  1.0 1.0
   66    67   -74    77   0.09450 -1.0 2.0
   66    67   -74    77   0.11100  1.0 3.0
   67    66    70    71   0.34800  1.0 3.0
   67    66    70    72   0.34800  1.0 3.0
   67    66    70    73   0.34800  1.0 3.0
   67    74    77    78   0.15000  1.0 3.0
   67    74    77    79   0.15000  1.0 3.0
   67    74    77    80   0.56750  1.0 1.0
   67    74    77    80  -0.07550 -1.0 2.0
   67    74    77    80   0.20000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77   -80    65   0.34400  1.0 1.0
   74    77   -80    65   0.09450 -1.0 2.0
   74    77   -80    65   0.11100  1.0 3.0
   74    77    80    81   0.56750  1.0 1.0
   74    77    80    81  -0.07550 -1.0 2.0
   74    77    80    81   0.20000  1.0 3.0
   74    77    80    85   0.56750  1.0 1.0
   74    77    80    85  -0.07550 -1.0 2.0
   74    77    80    85   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    81    82   0.15000  1.0 3.0
   77    80    81    83   0.15000  1.0 3.0
   77    80    81    84   0.15000  1.0 3.0
   77    80    85    86   0.15000  1.0 3.0
   77    80    85    87   0.15000  1.0 3.0
   77    80    85    88   0.15000  1.0 3.0
   78    77    80    65   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    85   0.15000  1.0 3.0
   79    77    80    65   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    85   0.15000  1.0 3.0
   80    65   -66    67   7.00000 -1.0 2.0
   80    65    66    70   7.00000 -1.0 2.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    87   0.15000  1.0 3.0
   81    80    85    88   0.15000  1.0 3.0
   85    80    81    82   0.15000  1.0 3.0
   85    80    81    83   0.15000  1.0 3.0
   85    80    81    84   0.15000  1.0 3.0
   70    66    67    68   0.34800  1.0 3.0
   70    66    67    69   0.34800  1.0 3.0
   70    66    67    74   0.46850  1.0 1.0
   70    66    67    74   0.08550 -1.0 2.0
   70    66    67    74   0.09800  1.0 3.0
   59    56    57    58   0.00000  1.0 1.0
   59    56    57    63  -0.18600  1.0 3.0
   48    45    46    47   0.00000  1.0 1.0
   48    45    46    52  -0.18600  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   43    44    42    38  15.00000 -1.0 2.0
   33    41    40    45  15.00000 -1.0 2.0
   46    48    45    40  15.00000 -1.0 2.0
   45    47    46    52  15.00000 -1.0 2.0
   54    53    52    46  15.00000 -1.0 2.0
   52    55    54    56  15.00000 -1.0 2.0
   57    59    56    54  15.00000 -1.0 2.0
   56    58    57    63  15.00000 -1.0 2.0
   65    64    63    57  15.00000 -1.0 2.0
   63    80    65    66   1.10000 -1.0 2.0
   67    70    66    65   1.10000 -1.0 2.0
END
