* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    197    310     584
    1     0 S   NP   _N1_     1    29.19682    95.34579   -24.03716
    2     1 S   H    _HN1     2     1.02778   108.26323   -90.74590
    3     1 S   H    _H1_     3     1.02952    76.77286    14.52633
    4     1 S   H    _H2_     4     1.02819    32.21546   174.37702
    5     1 S   CT   _CA1     5     1.50156   133.33082   120.11453
    6     5 S   HC   _HA1     6     1.09577   105.15260    86.69341
    7     5 S   CO3  _C1_     7     1.53776   112.46739   -33.38231
    8     7 S   O2Z  _O11     8     1.26371   115.00260   -40.77236
    9     7 S   O2Z  _O12     9     1.26248   114.94755   138.15405
   10     5 S   CT   _CB1    10     1.53043   107.35041  -155.43129
   11    10 S   HC   HB11    11     1.09834   109.21584   -49.97774
   12    10 S   HC   HB12    12     1.09823   110.48214    66.54529
   13    10 S   CT   _CG1    13     1.53015   112.72332  -171.04665
   14    13 S   HC   HG11    14     1.09583   110.53097   -66.93323
   15    13 S   HC   HG12    15     1.09663   109.93066    52.38831
   16    13 S   C    _CD1    16     1.51761   112.13563   172.59106
   17    16 S   O    _OE1    17     1.22708   123.17686     2.21664
   18    16 S   N    _N2_    18     1.38652   111.78948  -177.30209
   19    18 S   H    _HN2    19     1.01557   119.04001     1.54687
   20    18 S   CT1  _CA2    20     1.46115   123.23879   178.49858
   21    20 S   HC   _HA2    21     1.09577   109.26794     3.67002
   22    20 S   C    _C2_    22     1.53583   109.06068  -111.49840
   23    22 S   O    _O2_    23     1.23090   122.15583  -149.96347
   24    20 S   CT   _CB2    32     1.53368   111.76445   126.04846
   25    24 S   HC   HB21    33     1.09659   109.58061    63.97285
   26    24 S   HC   HB22    34     1.09573   110.88203  -178.76647
   27    22 S   N    _N3_    24     1.38307   113.88572    37.46385
   28    27 S   H    _HN3    25     1.01581   119.54611    -3.02446
   29    24 S   S    _SG2    35     1.82785   114.70608   -55.71149
   30    27 S   CT   _CA3    26     1.45284   123.18614   177.11717
   31    30 S   HC   HA31    27     1.09549   107.48337   -65.40472
   32    30 S   HC   HA32    28     1.09559   108.00541    51.01982
   33    29 S   CT   _C27    36     1.84643    99.94590   -67.30291
   34    33 S   HC   _H3_    37     1.09166   105.12644   -54.08669
   35    33 S   HC   _H4_    38     1.09493   105.97970    59.57494
   36    30 S   CO3  _C3_    29     1.52952   114.13621   173.08565
   37    36 S   O2Z  _O31    30     1.26369   116.08796     0.53413
   38    36 S   O2Z  _O32    31     1.26435   114.40107  -179.40884
   39    33 S   CT   _C21    39     1.57681   117.10385  -177.38761
   40    39 S   OM   _O25    40     1.32630   106.10457   -65.44243
   41    39 S   CT   _C10    41     1.55932   111.92434    50.00901
   42    41 S   HC   _H39    42     1.09800   111.98982   -52.42918
   43    41 S   HC   _H40    43     1.09952   111.04478  -168.02075
   44    41 S   CT   _C8_    44     1.52280   113.21299    70.39417
   45    44 S   HC   _H35    45     1.09631   110.06785   -67.40959
   46    44 S   HC   _H36    46     1.09656   109.12092   176.24840
   47    44 S   CT   _C9_    47     1.52500   112.33752    55.09580
   48    47 S   HC   _H37    48     1.09476   109.49249    66.09011
   49    47 S   HC   _H38    49     1.09173   106.92951   179.65850
   50    47 S   CT   _C14    50     1.55034   111.66968   -57.16108
   51    50 S   HC   _H46    51     1.09695   105.35649   -52.62554
   52    50 S   CT   _C19    52     1.61621   114.16468  -163.68365
   53    52 S   CT   _C15    53     1.58334   108.67082  -174.51141
   54    53 S   HC   _H47    54     1.09841   107.78194   -69.25543
   55    52 S   CT   _C16    82     1.59345   106.91294    66.73049
   56    55 S   HC   _H48    83     1.09229   109.01781   -37.82891
   57    52 S   CT   _C25    97     1.54574   111.91757   -50.92243
   58    57 S   HC   _H60    98     1.09443   112.00070   170.06526
   59    57 S   HC   _H61    99     1.09368   111.97775    50.84776
   60    57 S   HC   _H62   100     1.08824   113.10542   -72.09402
   61    53 S   CT   _C12    55     1.53398   113.52618    46.43720
   62    61 S   HC   _H43    56     1.09489   111.78300    65.66857
   63    61 S   HC   _H44    57     1.09818   109.28466  -179.34091
   64    53 S   CT   _C24    78     1.53418   116.09510   172.70690
   65    64 S   HC   _H57    79     1.09320   112.39557   -55.22408
   66    64 S   HC   _H58    80     1.09653   110.66067  -174.85010
   67    64 S   HC   _H59    81     1.09096   111.48661    68.00772
   68    55 S   CT   _C11    84     1.52759   119.67208  -158.99681
   69    68 S   HC   _H41    85     1.09535   112.14373    79.11802
   70    68 S   HC   _H42    86     1.09014   112.32187   -41.79826
   71    55 S   OS   _O29    96     1.43939   111.40261    77.61109
   72    61 S   CT   _C17    58     1.52893   110.86526   -59.90521
   73    72 S   HC   _H49    59     1.09655   107.46065   -53.46959
   74    68 S   CT   _C13    87     1.51407   103.53209  -158.64038
   75    74 S   HC   _H45    88     1.09488   112.42573   147.97652
   76    39 S   CT   _C20    60     1.64710   112.11987   173.49886
   77    72 S   OS   _O30    71     1.44231   108.60042  -170.73912
   78    74 S   CM   _C4_    89     1.48438   115.76149   -84.70551
   79    78 S   HC   _H33    90     1.07894   125.79236   -63.07260
   80    76 S   CT   _C26    61     1.58378   110.05768   170.67772
   81    80 S   HC   _H63    62     1.08453   111.14353   171.33662
   82    80 S   HC   _H64    63     1.09293   111.54750    52.14973
   83    77 S   CO4  _C6_    72     1.36148   117.94003    85.51940
   84    83 S   O    _O26    73     1.22341   126.53940    -4.17195
   85    78 S   CM   _C5_    91     1.32682   108.47423   119.33897
   86    85 S   HC   _H34    92     1.07555   128.50535   177.64291
   87    80 S   OS   _O33    64     1.43987   112.97461   -69.79615
   88    83 S   CT   _C22    74     1.49841   109.37691   176.09650
   89    88 S   HC   _H51    75     1.09304   109.82098   -60.39046
   90    88 S   HC   _H52    76     1.09378   109.36682  -179.31901
   91    88 S   HC   _H53    77     1.09285   109.83957    61.50618
   92    85 S   OS   _O28    93     1.37670   116.46663    -1.49802
   93    87 S   CO4  _C7_    65     1.36025   116.42901   177.38588
   94    93 S   O    _O27    66     1.22348   126.40754     0.98357
   95    74 S   CO   _C18    94     1.53012   104.17706    25.45293
   96    95 S   HC   _H50    95     1.09529   112.25146   108.61733
   97    93 S   CT   _C23    67     1.49834   109.42145  -179.18916
   98    97 S   HC   _H54    68     1.09301   109.82347   -60.37837
   99    97 S   HC   _H55    69     1.09374   109.37575  -179.43386
  100    97 S   HC   _H56    70     1.09292   109.81733    61.47219
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  12   5   4   2   1   1  20   8  12   6   5   9   5   4  11   5
   4  22   7  24  20  10  18   7   8   2   1   1  12   6   5   4
   2   1   1  11   6   5   7  10   4   8   6   7   7   6   4   6
   3   2   5   4   4   2   6   3   2   1   1   2   5   4   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    76  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    50    72    76    80  
   35    39    40    41    76  
   39    40    41    76  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    52    61    72    73    76    80    81    82    87    77  
   41    42    43    44    50    72    76    80  
   42    43    44    45    46    47    48    49    50    72    76    80  
   43    44    45    46    47    76  
   44    45    46    47    76  
   45    46    47    48    49    50    51    52    76  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    72    76    80    55    57  
   49    50    51    52    76  
   50    51    52    76  
   51    52    53    54    61    72    73    76    80    81    82    87    77    64    55    56    68    71    57    58    59    60  
   52    53    72    76    80    55    57  
   53    54    61    62    63    72    76    80    64    65    66    67    55    56    68    69    70    74    95    71    57    58    59    60  
   54    61    62    63    72    73    76    77    64    65    66    67    55    56    68    71    57    58    59    60  
   61    62    63    72    64    65    66    67    55    57  
   56    68    69    70    74    75    78    92    95    96    71    57    58    59    60    61    64    76  
   68    69    70    74    95    71    57  
   58    59    60    61    64    68    71    76  
   59    60  
   60  
    0  
   62    63    72    73    76    80    77    83    64    65    66    67  
   63    72    73    76    77    64  
   72    73    76    77    64  
   65    66    67    72  
   66    67  
   67  
    0  
   69    70    74    75    78    79    85    92    95    96    71  
   70    74    75    78    95    71  
   74    75    78    95    71  
   74    75    78    85    92    95    96  
   73    76    80    81    82    87    77    83    84    88  
   76    80    77    83  
   75    78    79    85    86    92    95    96  
   78    79    85    92    95    96  
   80    81    82    87    93    77    83  
   83    84    88    89    90    91    80  
   79    85    86    92    95    96  
   85    86    92    95  
   81    82    87    93    94    97  
   82    87    93  
   87    93  
   84    88    89    90    91  
   88    89    90    91  
   86    92    95    96  
   92    95  
   93    94    97    98    99   100  
   89    90    91  
   90    91  
   91  
    0  
   95    96  
   94    97    98    99   100  
   97    98    99   100  
   96  
    0  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    76   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   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    76   268.000  1.529
   52    53   268.000  1.529
   52    55   268.000  1.529
   52    57   268.000  1.529
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    72   268.000  1.529
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    77   320.000  1.410
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    93   214.000  1.327
   93    94   570.000  1.229
   93    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   77    83   214.000  1.327
   83    84   570.000  1.229
   83    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   55    56   340.000  1.090
   55    68   268.000  1.529
   55    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    78   317.000  1.510
   74    95   250.000  1.527
   78    79   340.000  1.080
   78    85   549.000  1.340
   85    86   340.000  1.080
   85    92   440.000  1.360
   92    95   320.000  1.380
   95    96   340.000  1.090
   95    71   320.000  1.380
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    76    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    76    50    58.35000  112.70000
   39    76    72    58.35000  112.70000
   39    76    80    58.35000  112.70000
   41    39    40    50.00000  109.50000
   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    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    76    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    58.35000  112.70000
   50    52    55    58.35000  112.70000
   50    52    57    58.35000  112.70000
   50    76    72    58.35000  112.70000
   50    76    80    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    61    58.35000  112.70000
   52    53    64    58.35000  112.70000
   52    55    56    37.50000  110.70000
   52    55    68    58.35000  112.70000
   52    55    71    50.00000  109.50000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    72    58.35000  112.70000
   53    64    65    37.50000  110.70000
   53    64    66    37.50000  110.70000
   53    64    67    37.50000  110.70000
   61    53    54    37.50000  110.70000
   61    72    73    37.50000  110.70000
   61    72    76    58.35000  112.70000
   61    72    77    50.00000  109.50000
   63    61    62    33.00000  107.80000
   72    61    62    37.50000  110.70000
   72    61    63    37.50000  110.70000
   72    76    80    58.35000  112.70000
   72    77    83    83.00000  116.90000
   76    39    40    50.00000  109.50000
   76    39    41    58.35000  112.70000
   76    50    51    37.50000  110.70000
   76    50    52    58.35000  112.70000
   76    72    73    37.50000  110.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    87    50.00000  109.50000
   80    87    93    83.00000  116.90000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   87    93    94    83.00000  123.40000
   87    93    97    81.00000  111.40000
   93    97    98    35.00000  109.50000
   93    97    99    35.00000  109.50000
   93    97   100    35.00000  109.50000
   97    93    94    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    76    50.00000  109.50000
   77    83    84    83.00000  123.40000
   77    83    88    81.00000  111.40000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   88    83    84    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   64    53    54    37.50000  110.70000
   64    53    61    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   55    52    53    58.35000  112.70000
   55    68    69    37.50000  110.70000
   55    68    70    37.50000  110.70000
   55    68    74    58.35000  112.70000
   55    71    95    60.00000  109.50000
   68    55    56    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    78    70.00000  112.02700
   68    74    95    75.00000  109.43000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    78    79    35.00000  117.00000
   74    78    85    70.00000  124.00000
   74    95    92    90.00000  108.56700
   74    95    96    45.00000  112.01100
   74    95    71    90.00000  108.56700
   78    74    75    35.00000  109.50000
   78    85    86    35.00000  120.00000
   78    85    92    80.00000  120.01400
   85    78    79    35.00000  120.00000
   85    92    95    85.00000  113.97000
   92    85    86    55.00000  109.52600
   92    95    96    35.00000  109.50000
   92    95    71    92.60000  111.55000
   95    74    75    45.00000  108.72000
   95    74    78    70.00000  112.02700
   71    55    56    35.00000  109.50000
   71    55    68    50.00000  109.50000
   71    95    96    35.00000  109.50000
   57    52    53    58.35000  112.70000
   57    52    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
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   57    52    55    68   0.20000  1.0 3.0
   57    52    55    71   0.62750  1.0 1.0
   57    52    55    71  -0.30950 -1.0 2.0
   57    52    55    71   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   87    97    93    94  10.50000 -1.0 2.0
   77    88    83    84  10.50000 -1.0 2.0
   74    79    78    85   1.10000 -1.0 2.0
   92    86    85    78   1.10000 -1.0 2.0
END
