* LIGAND DATABASE FILE (OPLS2005)
*
001     116   117    218    333     646
    1     0 S   NP   _N1_     1    29.58366    92.56879   -26.39298
    2     1 S   H    _HN1     2     1.02952    92.70588    12.57159
    3     1 S   H    _H1_     3     1.02828    16.52811  -138.41963
    4     1 S   H    _H2_     4     1.02787   121.42308  -100.91292
    5     1 S   CT   _CA1     5     1.50114   109.83191   125.39797
    6     5 S   HC   _HA1     6     1.09576   105.19053    76.82557
    7     5 S   CO3  _C1_     7     1.53788   112.46360   -43.39521
    8     7 S   O2Z  _O11     8     1.26373   115.00742   -42.60641
    9     7 S   O2Z  _O12     9     1.26243   114.94368   136.51129
   10     5 S   CT   _CB1    10     1.53079   107.41693  -165.20852
   11    10 S   HC   HB11    11     1.09834   109.35603   -49.80284
   12    10 S   HC   HB12    12     1.09813   110.45944    66.80414
   13    10 S   CT   _CG1    13     1.52987   112.60155  -170.78424
   14    13 S   HC   HG11    14     1.09584   110.62560   -65.92223
   15    13 S   HC   HG12    15     1.09672   109.78481    53.30200
   16    13 S   C    _CD1    16     1.51802   112.23425   173.73694
   17    16 S   O    _OE1    17     1.22730   123.29420     6.91086
   18    16 S   N    _N2_    18     1.38654   111.65958  -173.12933
   19    18 S   H    _HN2    19     1.01581   118.93061     1.67281
   20    18 S   CT1  _CA2    20     1.46205   123.40800   177.35462
   21    20 S   HC   _HA2    21     1.09740   109.37638     3.23331
   22    20 S   C    _C2_    22     1.53591   108.70774  -112.23782
   23    22 S   O    _O2_    23     1.23063   122.25748  -148.73188
   24    20 S   CT   _CB2    32     1.53468   111.49965   125.28663
   25    24 S   HC   HB21    33     1.09361   109.56496    56.28634
   26    24 S   HC   HB22    34     1.09441   109.62849   175.02504
   27    22 S   N    _N3_    24     1.38319   113.75282    38.76347
   28    27 S   H    _HN3    25     1.01578   119.58858    -3.34632
   29    24 S   S    _SG2    35     1.83182   111.04328   -65.63402
   30    27 S   CT   _CA3    26     1.45286   123.22602   177.13413
   31    30 S   HC   HA31    27     1.09550   107.51498   -64.52392
   32    30 S   HC   HA32    28     1.09556   107.98234    51.91759
   33    29 S   CT   _C26    36     1.87787   102.38724   170.96610
   34    30 S   CO3  _C3_    29     1.52962   114.07122   173.91276
   35    34 S   O2Z  _O31    30     1.26377   116.07056    -0.55778
   36    34 S   O2Z  _O32    31     1.26429   114.41350   179.49837
   37    33 S   CO4  _C25    37     1.53086   107.79096    46.81116
   38    37 S   O    _O34    38     1.22832   122.72948  -101.31352
   39    33 S   CT   _C17    51     1.56461   110.00130   165.56734
   40    33 S   CT   _C27   113     1.53924   107.28743   -72.73972
   41    40 S   HC   _H30   114     1.09562   111.91211   -64.55207
   42    40 S   HC   _H31   115     1.09574   111.19768   174.97274
   43    40 S   HC   _H32   116     1.09464   112.72253    57.08546
   44    37 S   CA   _C24    39     1.48479   117.85056    77.25402
   45    39 S   CT   _C16    52     1.55687   112.58526   174.92534
   46    45 S   HC   _H24    53     1.09344   110.64364    48.58517
   47    45 S   HC   _H25    54     1.09769   109.13079   -67.52908
   48    39 S   OH   _O35   111     1.43136   108.71742    56.19274
   49    48 S   HO   _H33   112     0.97301   108.02812  -168.68527
   50    44 S   CA   _C23    40     1.39987   119.29698  -166.78694
   51    50 S   HA   _H29    41     1.08709   121.16564    -0.73966
   52    45 S   CM   _C15    55     1.51062   115.11486   174.44847
   53    52 S   HC   _H23    56     1.08927   114.44914    71.35791
   54    50 S   CA   _C22    42     1.39525   120.00620   178.95096
   55    54 S   HA   _H28    43     1.08653   119.93793   179.92598
   56    52 S   CM   _C14    57     1.34786   127.40754  -111.18246
   57    54 S   CA   _C21    44     1.39377   120.10925    -0.17914
   58    57 S   HA   _H27    45     1.08650   119.93751  -180.00000
   59    56 S   CT   _C28    58     1.50595   120.39582  -178.07837
   60    59 S   HC   _H34    59     1.09447   110.47725   120.64487
   61    59 S   HC   _H35    60     1.09516   112.32785     0.58383
   62    59 S   HC   _H36    61     1.09493   110.27102  -119.34904
   63    56 S   CT   _C13    62     1.51165   124.33801     3.84227
   64    63 S   HC   _H21    63     1.09119   109.84698    25.56134
   65    63 S   HC   _H22    64     1.09754   109.19251   140.35043
   66    57 S   CA   _C20    46     1.39509   120.11657     0.27766
   67    66 S   HA   _H26    47     1.08702   118.93918   179.24697
   68    63 S   CT   _C12    65     1.53084   112.79700   -97.24153
   69    68 S   HC   _H19    66     1.09591   110.36078    57.12822
   70    68 S   HC   _H20    67     1.09742   109.31983   -59.07301
   71    44 S   CA   _C19    48     1.39763   120.87245    12.53783
   72    68 S   CT   _C11    68     1.53638   112.86098  -179.07740
   73    72 S   HC   _H17    69     1.09582   107.48768    61.34729
   74    72 S   HC   _H18    70     1.09762   108.14289   175.72149
   75    71 S   CO4  _C18    49     1.48115   120.64242     3.10438
   76    75 S   O    _O33    50     1.22788   120.21434  -167.60877
   77    72 S   CT   _C9_    71     1.54471   115.81709   -61.61621
   78    77 S   HC   _H4_    72     1.09522   109.13205    60.03101
   79    77 S   CT   _C10    73     1.53263   111.64100   -59.00201
   80    79 S   HC   _H14    74     1.09513   111.18834   -57.42407
   81    79 S   HC   _H15    75     1.09551   110.84066  -177.54011
   82    79 S   HC   _H16    76     1.09332   111.54042    63.51425
   83    77 S   CT   _C8_    77     1.54462   111.78135   178.58584
   84    83 S   HC   _H12    78     1.09786   108.80465   172.46615
   85    83 S   HC   _H13    79     1.09732   109.87377    56.04436
   86    83 S   CT   _C7_    80     1.53353   113.38261   -67.05246
   87    86 S   HC   _H10    81     1.09509   108.84792   -51.79464
   88    86 S   HC   _H11    82     1.09493   110.18963    65.99910
   89    86 S   CT   _C6_    83     1.53298   111.07840  -173.15181
   90    89 S   HC   _H8_    84     1.09757   109.42910    62.47557
   91    89 S   HC   _H9_    85     1.09774   108.31733   -53.40311
   92    89 S   CT   _C5_    86     1.54494   113.73904  -174.53316
   93    92 S   HC   _H3_    87     1.09778   108.19582    54.93378
   94    92 S   CT   _C4_    88     1.53190   111.58916   -63.97165
   95    94 S   HC   _H5_    89     1.09512   111.14206   -60.95590
   96    94 S   HC   _H6_    90     1.09390   111.49286    59.71728
   97    94 S   HC   _H7_    91     1.09387   111.47337   178.36350
   98    92 S   CT   _C29    92     1.54492   108.95506   172.34194
   99    98 S   HC   _H37    93     1.09755   109.68562    64.68454
  100    98 S   HC   _H38    94     1.09777   108.75520   -51.55970
  101    98 S   CT   _C30    95     1.53320   113.78373  -172.39703
  102   101 S   HC   _H39    96     1.09530   109.01354    52.35110
  103   101 S   HC   _H40    97     1.09508   110.14904   -65.53132
  104   101 S   CT   _C31    98     1.53299   111.05381   173.75349
  105   104 S   HC   _H41    99     1.09755   109.38372   -62.42121
  106   104 S   HC   _H42   100     1.09774   108.62308    53.58685
  107   104 S   CT   _C32   101     1.54002   113.48523   174.68765
  108   107 S   HC   _H43   102     1.09738   108.70973   -56.38457
  109   107 S   CT   _C33   103     1.52934   112.47002    63.45020
  110   109 S   HC   _H44   104     1.09523   111.25896    56.00603
  111   109 S   HC   _H45   105     1.09546   110.75105   176.06926
  112   109 S   HC   _H46   106     1.09409   111.37356   -64.80792
  113   107 S   CT   _C34   107     1.53073   109.80293  -174.08895
  114   113 S   HC   _H47   108     1.09539   111.28684   -61.95299
  115   113 S   HC   _H48   109     1.09516   110.83459    58.32497
  116   113 S   HC   _H49   110     1.09521   110.83404   177.79407
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  15   5  17   7   2   1   1  10  12   6   5   5
   1   8   4  11   3   6   3  11   5   3   7   3   2   1   9   5
   4   4   2   9   5   4   2  12   5   4   1   1  12   8   7   3
   2   1   9   5   4   9   5   4  12   5   4  12   8   7   3   2
   1   9   5   4   9   5   4  12   5   4   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    75    39    45    48    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    50    71    75    76    39    45    46    47    52    48    49    40    41    42    43  
   35    36  
   36  
    0  
   38    44    50    51    54    66    71    75    39    45    48    40    41    42    43  
   44    50    71    39    40  
   45    46    47    52    53    56    48    49    40    41    42    43    44    66    71    75    76  
   41    42    43    44    45    48    75  
   42    43  
   43  
    0  
   50    51    54    55    57    66    67    71    75    76  
   46    47    52    53    56    59    63    48    49    71    75    76  
   47    52    53    56    48    75  
   52    53    56    48    75  
   49    52    71    75    76  
   75  
   51    54    55    57    58    66    71    75  
   54    55    57    71  
   53    56    59    60    61    62    63    64    65    68    75  
   56    59    63  
   55    57    58    66    67    71  
   57    58    66  
   59    60    61    62    63    64    65    68    69    70    72  
   58    66    67    71    75  
   66    67    71  
   60    61    62    63    64    65    68  
   61    62    63  
   62    63  
   63  
   64    65    68    69    70    72    73    74    77  
   65    68    69    70    72  
   68    69    70    72  
   67    71    75    76  
   71    75  
   69    70    72    73    74    77    78    79    83  
   70    72    73    74    77  
   72    73    74    77  
   75    76  
   73    74    77    78    79    80    81    82    83    84    85    86  
   74    77    78    79    83  
   77    78    79    83  
   76  
    0  
   78    79    80    81    82    83    84    85    86    87    88    89  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86    87    88    89    90    91    92  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92    93    94    98  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96    97    98    99   100   101  
   91    92    93    94    98  
   92    93    94    98  
   93    94    95    96    97    98    99   100   101   102   103   104  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101   102   103   104   105   106   107  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106   107   108   109   113  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110   111   112   113   114   115   116  
  106   107   108   109   113  
  107   108   109   113  
  108   109   110   111   112   113   114   115   116  
  109   110   111   112   113   114   115   116  
  110   111   112   113   114   115   116  
  111   112   113  
  112   113  
  113  
  114   115   116  
  115   116  
  116  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   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   317.000  1.522
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    50   469.000  1.400
   44    71   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    75   310.000  1.470
   75    76   570.000  1.229
   75    39   317.000  1.522
   39    45   268.000  1.529
   39    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   317.000  1.510
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    59   317.000  1.510
   56    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   268.000  1.529
  107   113   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
   48    49   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    75    63.00000  111.10000
   33    39    45    58.35000  112.70000
   33    39    48    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    50    60.00000  119.52600
   37    44    71    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    50    51    35.00000  120.00000
   44    50    54    63.00000  120.00000
   44    71    66    63.00000  120.00000
   44    71    75    60.00000  119.52600
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    66    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    66    67    35.00000  120.00000
   57    66    71    63.00000  120.00000
   66    57    58    35.00000  120.00000
   66    71    75    60.00000  119.52600
   71    44    50    63.00000  120.00000
   71    66    67    35.00000  120.00000
   71    75    76    75.00000  123.78400
   71    75    39    65.00000  115.47100
   75    39    45    63.00000  111.10000
   75    39    48    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    75    76    80.00000  120.40000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    52    70.00000  112.02700
   39    48    49    55.00000  108.50000
   45    52    53    35.00000  117.00000
   45    52    56    70.00000  124.00000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    56    59    70.00000  124.00000
   52    56    63    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    68    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    59    65.00000  117.92700
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    72    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    58.35000  112.70000
   72    77    83    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    58.35000  112.70000
   79    77    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    58.35000  112.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    93    37.50000  110.70000
   89    92    94    58.35000  112.70000
   89    92    98    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    97    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   101    58.35000  112.70000
   94    92    93    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    92    93    37.50000  110.70000
   98    92    94    58.35000  112.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   109    58.35000  112.70000
  104   107   113    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   109   110    37.50000  110.70000
  107   109   111    37.50000  110.70000
  107   109   112    37.50000  110.70000
  107   113   114    37.50000  110.70000
  107   113   115    37.50000  110.70000
  107   113   116    37.50000  110.70000
  109   107   108    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  113   107   108    37.50000  110.70000
  113   107   109    58.35000  112.70000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
   48    39    45    50.00000  109.50000
   40    33    37    63.00000  111.10000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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  104   107   109   110   0.15000  1.0 3.0
  104   107   109   111   0.15000  1.0 3.0
  104   107   109   112   0.15000  1.0 3.0
  104   107   113   114   0.15000  1.0 3.0
  104   107   113   115   0.15000  1.0 3.0
  104   107   113   116   0.15000  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   113   0.15000  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   113   0.15000  1.0 3.0
  108   107   109   110   0.15000  1.0 3.0
  108   107   109   111   0.15000  1.0 3.0
  108   107   109   112   0.15000  1.0 3.0
  108   107   113   114   0.15000  1.0 3.0
  108   107   113   115   0.15000  1.0 3.0
  108   107   113   116   0.15000  1.0 3.0
  109   107   113   114   0.15000  1.0 3.0
  109   107   113   115   0.15000  1.0 3.0
  109   107   113   116   0.15000  1.0 3.0
  113   107   109   110   0.15000  1.0 3.0
  113   107   109   111   0.15000  1.0 3.0
  113   107   109   112   0.15000  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    52   1.05650  1.0 1.0
   48    39    45    52   0.15600 -1.0 2.0
   48    39    45    52   0.53150  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    44   0.05850 -1.0 2.0
   40    33    37    44   0.17250  1.0 3.0
   40    33    39    75  -0.95700  1.0 1.0
   40    33    39    75  -0.18200 -1.0 2.0
   40    33    39    75   0.29450  1.0 3.0
   40    33    39    45   0.56750  1.0 1.0
   40    33    39    45  -0.07550 -1.0 2.0
   40    33    39    45   0.20000  1.0 3.0
   40    33    39    48   0.86500  1.0 1.0
   40    33    39    48  -0.17500 -1.0 2.0
   40    33    39    48   0.20800  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
   33    44    37    38  10.50000 -1.0 2.0
   50    71    44    37   4.00000 -1.0 2.0
   54    51    50    44   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   66    58    57    54   1.10000 -1.0 2.0
   71    67    66    57   1.10000 -1.0 2.0
   66    75    71    44   4.00000 -1.0 2.0
   71    39    75    76  10.50000 -1.0 2.0
   45    53    52    56  15.00000 -1.0 2.0
   59    63    56    52  15.00000 -1.0 2.0
END
