* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    195    324     594
    1     0 S   NP   _N1_     1    28.59810    95.46632   -21.18983
    2     1 S   H    _HN1     2     1.02952    84.66163    13.34568
    3     1 S   H    _H1_     3     1.02832    36.26510   142.13918
    4     1 S   H    _H2_     4     1.02784    89.10466   -95.16848
    5     1 S   CT   _CA1     5     1.50104   146.75753   133.12598
    6     5 S   HC   _HA1     6     1.09572   105.23838    64.92750
    7     5 S   CO3  _C1_     7     1.53810   112.35796   -55.38260
    8     7 S   O2Z  _O11     8     1.26374   115.00947   -44.79330
    9     7 S   O2Z  _O12     9     1.26233   114.93836   134.35088
   10     5 S   CT   _CB1    10     1.53080   107.43342  -177.07584
   11    10 S   HC   HB11    11     1.09829   109.47521   -49.72623
   12    10 S   HC   HB12    12     1.09817   110.40590    66.89375
   13    10 S   CT   _CG1    13     1.52982   112.56529  -170.71162
   14    13 S   HC   HG11    14     1.09595   110.56186   -63.04609
   15    13 S   HC   HG12    15     1.09659   109.89322    56.19326
   16    13 S   C    _CD1    16     1.51782   112.25994   176.69329
   17    16 S   O    _OE1    17     1.22729   123.30097     2.60384
   18    16 S   N    _N2_    18     1.38625   111.61525  -177.66401
   19    18 S   H    _HN2    19     1.01594   119.01917     2.16284
   20    18 S   CT1  _CA2    20     1.46255   123.40035   179.75934
   21    20 S   HC   _HA2    21     1.09748   109.38736    -2.46609
   22    20 S   C    _C2_    22     1.53501   108.59496  -117.93959
   23    22 S   O    _O2_    23     1.23044   122.34059  -148.70549
   24    20 S   CT   _CB2    32     1.53787   111.46449   119.46231
   25    24 S   HC   HB21    33     1.09215   108.48860    56.26658
   26    24 S   HC   HB22    34     1.09034   109.10149   174.79926
   27    22 S   N    _N3_    24     1.38356   113.60519    38.86489
   28    27 S   H    _HN3    25     1.01612   119.53018    -3.64841
   29    24 S   S    _SG2    35     1.82881   110.32573   -64.26107
   30    27 S   CT   _CA3    26     1.45284   123.14577   176.95747
   31    30 S   HC   HA31    27     1.09552   107.53608   -63.61089
   32    30 S   HC   HA32    28     1.09558   107.93669    52.79656
   33    29 S   CT   _C18    36     1.96959   106.65939  -176.80714
   34    30 S   CO3  _C3_    29     1.52941   114.13716   174.77247
   35    34 S   O2Z  _O31    30     1.26370   116.07702    -0.73115
   36    34 S   O2Z  _O32    31     1.26435   114.40922   179.32218
   37    33 S   CT   _C19    37     1.54934   108.50819   -34.00058
   38    37 S   HC   _H6_    38     1.09243   110.44196  -171.41743
   39    33 S   CT   _C17    76     1.66985   110.12754    93.85432
   40    37 S   CO4  _C20    39     1.52055   114.90735   -56.46321
   41    40 S   O    _O36    40     1.22846   122.19625   144.49543
   42    39 S   CT   _C26    77     1.55004   109.71196   -31.12639
   43    42 S   HC   _H21    78     1.09154   113.46246    68.97889
   44    42 S   HC   _H22    79     1.09266   110.36312   -54.10845
   45    42 S   HC   _H23    80     1.08590   114.90059  -169.94118
   46    37 S   OH   _O39    99     1.41742   111.96679    71.58967
   47    46 S   HO   _H20   100     0.97318   107.58657   173.13467
   48    40 S   OS   _O37    41     1.35332   116.13190   -42.60497
   49    48 S   CT   _C21    42     1.45420   123.37370    32.35124
   50    49 S   HC   _H7_    43     1.09635   104.49282    83.33913
   51    49 S   C5BC _C22    44     1.51068   109.27311  -165.86147
   52    33 S   CT   _C5_    52     1.59995   104.34265  -146.14411
   53    51 S   C5BC _C23    45     1.42611   127.97610    33.65510
   54    53 S   HA   _H17    46     1.08089   127.41164     0.90461
   55    52 S   CT   _C6_    53     1.56946   110.41669   -63.13482
   56    55 S   HC   _H11    54     1.09805   108.36342  -155.44354
   57    55 S   HC   _H12    55     1.09739   109.98042    89.97656
   58    52 S   CT   _C4_    95     1.56710   111.67985   174.22633
   59    58 S   HC   _H8_    96     1.09581   111.86643   -80.25610
   60    58 S   HC   _H9_    97     1.09579   111.47610   160.51725
   61    58 S   HC   _H10    98     1.08797   114.45130    39.26026
   62    53 S   C5A  _C24    47     1.37436   106.68966  -179.17197
   63    62 S   HA   _H18    48     1.08023   133.82840  -179.78694
   64    55 S   CT   _C7_    56     1.54380   116.76972   -34.00584
   65    64 S   HC   _H3_    57     1.09122   106.34203  -147.65467
   66    62 S   OA   _O38    49     1.35630   110.46983     0.57403
   67    64 S   CT   _C8_    58     1.54367   111.60751   -25.18500
   68    67 S   HC   _H4_    59     1.09580   102.63900   -48.92562
   69    64 S   OH   _O40    93     1.42050   110.86734    99.33483
   70    69 S   HO   _H33    94     0.97227   108.15139    54.79017
   71    51 S   C5A  _C25    50     1.38232   127.08286  -144.18245
   72    71 S   HA   _H19    51     1.08075   133.45271    -0.78285
   73    67 S   CT   _C9_    60     1.61532   117.27259  -156.43687
   74    73 S   CM   _C10    61     1.54307   107.90555    52.84045
   75    74 S   HC   _H13    62     1.08615   117.72295    -7.18826
   76    73 S   CT   _C14    69     1.59550   107.94237   168.54200
   77    76 S   HC   _H5_    70     1.10401   103.54987   -66.48969
   78    73 S   CT   _C29    89     1.54051   111.72391   -64.71907
   79    78 S   HC   _H30    90     1.08968   112.73887   -87.14856
   80    78 S   HC   _H31    91     1.09451   112.88195   153.02251
   81    78 S   HC   _H32    92     1.09162   112.41395    34.80645
   82    74 S   CM   _C11    63     1.33853   128.74624   172.83108
   83    82 S   HC   _H14    64     1.08438   120.93848   176.22893
   84    76 S   CT   _C15    71     1.53993   112.81300    46.01616
   85    84 S   HC   _H15    72     1.09607   109.78928  -166.59262
   86    84 S   HC   _H16    73     1.09044   112.78424    76.41170
   87    82 S   CO4  _C12    65     1.46254   122.44030    -3.06171
   88    87 S   O    _O33    66     1.22094   123.46524   129.03118
   89    84 S   CO4  _C16    74     1.52084   112.92515   -49.64558
   90    89 S   O    _O35    75     1.22901   118.22973  -119.60703
   91    87 S   OS   _O34    67     1.34818   110.05286   -63.36910
   92    91 S   CT   _C13    68     1.45211   119.84375    88.54050
   93    92 S   CT   _C27    81     1.53754   109.58304    60.57765
   94    93 S   HC   _H24    82     1.09741   110.24943    57.68090
   95    93 S   HC   _H25    83     1.09034   113.03326   -59.17111
   96    93 S   HC   _H26    84     1.09347   112.23098   177.60494
   97    92 S   CT   _C28    85     1.54926   101.91891   172.86320
   98    97 S   HC   _H27    86     1.09739   110.75028   -48.61772
   99    97 S   HC   _H28    87     1.09404   112.69574  -168.91152
  100    97 S   HC   _H29    88     1.09612   110.90365    68.79323
  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  13   5   4   3
  30   2   1   1  14   7  24   8   3  11   4   3   2   3   1   8
  17   6  10  14   6   4  13   6   5   4   2   1   1   4   2  10
   5   2  17   6   2   1   1   1  19  14   5  22   9   6   2   1
   1   5   3   8   4   3   5   2   2   1   9   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    52    55    67    89    39    42    58    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    48    49    50    51    52    55    56    57    64    67    68    73    84    89    90    39    42    43    44    45    58    59    60    61    46    47  
   35    36  
   36  
    0  
   38    40    41    48    49    52    55    67    89    39    42    58    46    47  
   40    41    48    52    39    46    47  
   42    43    44    45    78    69    58    46    40    49    52    55    64    65    67    68    73    74    76    84    85    86    89    90  
   41    48    49    50    51    52    46    47  
   48    49    46  
   43    44    45    52    64    67    68    73    84    89    90  
   44    45    67    89  
   45    67    89  
   67    89  
   47    48    52  
    0  
   49    50    51    53    71    52    55    58  
   50    51    53    54    62    66    71    72    52    55    56    57    64    58    59    60    61  
   51    53    71    52    55    58  
   53    54    62    63    66    71    72    52    55    58  
   55    56    57    64    65    67    89    69    58    59    60    61    53    71  
   54    62    63    66    71    72  
   62    63    66    71  
   56    57    64    65    67    68    73    69    70    58    59    60    61  
   57    64    65    67    69    58  
   64    65    67    69    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    66    71    72  
   66    71  
   65    67    68    73    74    76    89    78    69    70  
   67    68    73    69    70  
   71    72  
   68    73    74    75    82    92    76    77    84    89    90    78    79    80    81    69    70  
   73    74    76    89    78    69  
   70    73  
    0  
   72  
    0  
   74    75    82    83    87    91    92    76    77    84    85    86    89    93    97    78    79    80    81  
   75    82    83    87    88    91    92    76    77    84    78    79    80    81  
   82    83    87    76    78  
   77    84    85    86    89    90    93    94    95    96    97    98    99   100    78    79    80    81    82    87    91    92  
   84    85    86    89    93    97    78    91    92  
   79    80    81    82    84    92  
   80    81  
   81  
    0  
   83    87    88    91    92  
   87    88    91  
   85    86    89    90    93    97    91    92  
   86    89    90    92  
   89    90    92  
   88    91    92    93    97  
   91    92  
   90    92  
    0  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   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   0.167500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   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    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   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    46   320.000  1.410
   40    41   570.000  1.229
   40    48   214.000  1.327
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   285.000  1.502
   49    52   268.000  1.529
   51    53   469.000  1.424
   51    71   546.000  1.367
   53    54   367.000  1.080
   53    62   546.000  1.367
   62    63   367.000  1.080
   62    66   340.000  1.360
   66    71   340.000  1.360
   71    72   367.000  1.080
   52    55   268.000  1.529
   52    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    69   320.000  1.410
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    39   268.000  1.529
   73    74   317.000  1.510
   73    76   268.000  1.529
   73    78   268.000  1.529
   74    75   340.000  1.080
   74    82   549.000  1.340
   82    83   340.000  1.080
   82    87   320.000  1.462
   87    88   570.000  1.229
   87    91   214.000  1.327
   91    92   320.000  1.410
   92    76   268.000  1.529
   92    93   268.000  1.529
   92    97   268.000  1.529
   76    77   340.000  1.090
   76    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   317.000  1.522
   89    90   570.000  1.229
   89    39   317.000  1.522
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    70   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   553.000  0.945
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  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    46    50.00000  109.50000
   33    52    49    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    52    58    58.35000  112.70000
   33    39    67    58.35000  112.70000
   33    39    89    63.00000  111.10000
   33    39    42    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    48    81.00000  111.40000
   37    46    47    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    48    49    83.00000  116.90000
   48    40    41    83.00000  123.40000
   48    49    50    35.00000  109.50000
   48    49    51    85.00000  111.85700
   48    49    52    50.00000  109.50000
   49    51    53    60.00000  130.00000
   49    51    71    60.00000  130.00000
   49    52    55    58.35000  112.70000
   49    52    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    53    54    35.00000  127.50000
   51    53    62    70.00000  107.30000
   51    71    66    70.00000  110.60000
   51    71    72    35.00000  132.10000
   53    62    63    35.00000  132.10000
   53    62    66    70.00000  110.60000
   62    53    54    35.00000  125.70000
   62    66    71    70.00000  106.50000
   66    62    63    35.00000  113.40000
   66    71    72    35.00000  113.40000
   71    51    53    70.00000  107.30000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.17500
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    67    58.35000  112.70000
   55    64    69    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    73    58.35000  112.70000
   64    67    39    58.35000  112.70000
   64    69    70    55.00000  108.50000
   67    64    65    37.50000  110.70000
   67    73    74    70.00000  112.02700
   67    73    76    58.35000  112.70000
   67    73    78    58.35000  112.70000
   67    39    89    63.00000  111.10000
   67    39    42    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    74    75    35.00000  117.00000
   73    74    82    70.00000  124.00000
   73    76    92    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    84    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    37.50000  110.70000
   74    82    83    35.00000  120.00000
   74    82    87    65.00000  118.96000
   82    74    75    35.00000  120.00000
   82    87    88    80.00000  123.72100
   82    87    91    90.00000  111.29400
   87    82    83    40.00000  117.72500
   87    91    92    83.00000  116.90000
   91    87    88    83.00000  123.40000
   91    92    76    50.00000  109.50000
   91    92    93    50.00000  109.50000
   91    92    97    50.00000  109.50000
   92    76    77    37.50000  110.70000
   92    76    84    58.35000  112.70000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   76    73    74    70.00000  112.02700
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    89    63.00000  111.10000
   84    76    77    37.50000  110.70000
   84    89    90    80.00000  120.40000
   84    89    39    70.00000  116.00000
   86    84    85    33.00000  107.80000
   89    84    85    35.00000  109.50000
   89    84    86    35.00000  109.50000
   89    39    42    63.00000  111.10000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    67    73    58.35000  112.70000
   39    89    90    80.00000  120.40000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   93    92    76    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    92    76    58.35000  112.70000
   97    92    93    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   78    73    74    70.00000  112.02700
   78    73    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    67    50.00000  109.50000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    40    90.00000  109.61100
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
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   97    92    76    77   0.15000  1.0 3.0
   97    92    76    84   0.56750  1.0 1.0
   97    92    76    84  -0.07550 -1.0 2.0
   97    92    76    84   0.20000  1.0 3.0
   97    92    93    94   0.15000  1.0 3.0
   97    92    93    95   0.15000  1.0 3.0
   97    92    93    96   0.15000  1.0 3.0
   78    73    74    75   0.00000  1.0 1.0
   78    73    74    82   0.09850  1.0 1.0
   78    73    74    82   0.15250 -1.0 2.0
   78    73    74    82  -0.50650  1.0 3.0
   78    73    76    92   0.56750  1.0 1.0
   78    73    76    92  -0.07550 -1.0 2.0
   78    73    76    92   0.20000  1.0 3.0
   78    73    76    77   0.15000  1.0 3.0
   78    73    76    84   0.56750  1.0 1.0
   78    73    76    84  -0.07550 -1.0 2.0
   78    73    76    84   0.20000  1.0 3.0
   69    64    67    68   0.23400  1.0 3.0
   69    64    67    73   0.86500  1.0 1.0
   69    64    67    73  -0.17500 -1.0 2.0
   69    64    67    73   0.20800  1.0 3.0
   69    64    67    39   0.86500  1.0 1.0
   69    64    67    39  -0.17500 -1.0 2.0
   69    64    67    39   0.20800  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    64   0.56750  1.0 1.0
   58    52    55    64  -0.07550 -1.0 2.0
   58    52    55    64   0.20000  1.0 3.0
   46    37    40    41   0.30150 -1.0 2.0
   46    37    40    48   0.30750  1.0 1.0
   46    37    40    48   1.13850 -1.0 2.0
   46    37    40    48   0.38850  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
   35    30    34    36  10.50000 -1.0 2.0
   37    48    40    41  10.50000 -1.0 2.0
   53    71    51    49   4.00000 -1.0 2.0
   62    54    53    51   1.10000 -1.0 2.0
   66    63    62    53   1.10000 -1.0 2.0
   66    72    71    51   1.10000 -1.0 2.0
   73    75    74    82   1.10000 -1.0 2.0
   87    83    82    74   1.10000 -1.0 2.0
   82    91    87    88  10.50000 -1.0 2.0
   84    39    89    90  10.50000 -1.0 2.0
END
