* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    203    333     609
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033    86.66804    45.61041
    3     1 S   H    _H1_     3     1.02099    33.34552   177.85890
    4     1 S   H    _H2_     4     1.02086    93.57451   -62.95812
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.82696    97.75903  -158.13319
   34    33 S   HC   _H3_    37     1.10762   106.00761   -30.29193
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C9_    38     1.52418   104.24850    79.96938
   39    38 S   O    _O29    39     1.22978   121.66961   -77.34452
   40    38 S   OS   _O34    40     1.35404   116.95192    95.57562
   41    40 S   CT   _C15    41     1.45265   122.39734    38.93645
   42    41 S   HC   _H48    42     1.10541   104.65047    73.61079
   43    41 S   C5BC _C7_    43     1.52465   107.74361  -176.37977
   44    41 S   CT   _C21    51     1.57762   112.43646   -46.54999
   45    43 S   C5BC _C4_    44     1.41568   126.98279    39.38999
   46    45 S   HA   _H39    45     1.08055   127.80257    -0.02798
   47    44 S   CT   _C14    52     1.57856   108.60497   169.45491
   48    47 S   HC   _H46    53     1.09857   109.14869    86.96988
   49    47 S   HC   _H47    54     1.09789   110.31093   -27.33524
   50    44 S   CT   _C28   102     1.55043   107.70932   -71.60585
   51    50 S   HC   _H60   103     1.08126   108.59661    61.84207
   52    50 S   HC   _H61   104     1.08127   108.55367   -58.12967
   53    50 S   HC   _H62   105     1.08017   108.58325  -178.12059
   54    45 S   C5A  _C5_    46     1.37568   106.08572   179.97202
   55    54 S   HA   _H40    47     1.08015   133.78149   179.96574
   56    47 S   CT   _C13    55     1.54530   117.24053  -149.94813
   57    56 S   HC   _H44    56     1.09447   109.70267   102.06274
   58    56 S   HC   _H45    57     1.09564   108.59317  -142.57288
   59    54 S   OA   _O33    48     1.35890   110.58921     0.00000
   60    56 S   CT   _C17    58     1.51256   110.50413   -20.58266
   61    60 S   HC   _H50    59     1.09488   102.85088   -51.55231
   62    43 S   C5A  _C6_    49     1.37508   126.86339  -140.61100
   63    62 S   HA   _H41    50     1.08038   133.94432    -0.04846
   64    60 S   CT   _C20    60     1.55516   121.19278  -165.33402
   65    60 S   CT   _C22    67     1.56544   113.13545    64.62656
   66    64 S   CT   _C18    61     1.57726   101.45652  -164.36103
   67    33 S   CT   _C23    68     1.55050   121.24969  -151.92429
   68    65 S   CT   _C29    71     1.57093   114.08224    72.28863
   69    68 S   HC   _H63    72     1.07438   107.60291  -179.97202
   70    68 S   HC   _H64    73     1.07472   107.61085    59.97444
   71    68 S   HC   _H65    74     1.07430   107.58648   -60.00168
   72    64 S   CM   _C11    87     1.51476   110.06582    75.78175
   73    72 S   HC   _H43    88     1.08759   116.03109    -0.02798
   74    64 S   CT   _C27    98     1.53933   113.63475   -40.52685
   75    74 S   HC   _H57    99     1.08555   109.19291   -60.29786
   76    74 S   HC   _H58   100     1.08434   109.17292   179.73980
   77    74 S   HC   _H59   101     1.08467   109.23221    59.69317
   78    66 S   CO4  _C8_    62     1.51087   116.23757  -105.89256
   79    78 S   O    _O28    63     1.22593   124.22667   -83.04138
   80    67 S   OH   _O37    69     1.47816    99.52414   174.44522
   81    80 S   HO   _H70    70     0.95621   103.52192  -180.00000
   82    66 S   OH   _O36    85     1.41137   113.43856   129.05049
   83    82 S   HO   _H69    86     0.97382   107.32224    69.76141
   84    72 S   CM   _C10    89     1.33944   123.39308  -179.96574
   85    84 S   HC   _H42    90     1.08520   121.39518  -179.98022
   86    78 S   CT   _C19    64     1.50641   111.91023    98.43535
   87    84 S   CO4  _C12    91     1.47870   119.93564    -0.09279
   88    87 S   O    _O30    92     1.22048   125.41430   -59.98360
   89    86 S   OS   _O35    65     1.43257   102.22795    -3.44082
   90    86 S   CT   _C25    77     1.52269   111.56999   114.67106
   91    90 S   HC   _H51    78     1.08959   110.09818  -179.97202
   92    90 S   HC   _H52    79     1.09022   110.01825    59.97625
   93    90 S   HC   _H53    80     1.09111   110.01742   -59.99334
   94    86 S   CT   _C26    81     1.52037   111.88526  -119.35961
   95    94 S   HC   _H54    82     1.09101   110.23605   180.00000
   96    94 S   HC   _H55    83     1.09189   110.13234    60.00358
   97    94 S   HC   _H56    84     1.09163   110.14736   -59.93993
   98    87 S   OS   _O39    93     1.36102   107.57600   120.01117
   99    66 S   CO   _C24    66     1.56784   106.82475     3.80591
  100    98 S   CT   _C30    94     1.43114   115.39985  -179.98022
  101   100 S   HC   _H66    95     1.09283   109.46377  -179.97202
  102   100 S   HC   _H67    96     1.09227   109.52042    59.25424
  103   100 S   HC   _H68    97     1.09294   109.02673   -60.42925
  104    99 S   OH   _O38    75     1.42081   113.12030   146.71133
  105   104 S   HO   _H71    76     0.97120   106.71327  -179.95154
  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   9   5   4   3
  15   7   2   1   1   9   3   9  20   7  11  19   6   4  15   7
   6   7   3   2   1   4   2  12   5   4   2  22   8   1   1  21
  17  20   9   7   3   2   1  13   4   7   2   1   1  15   6   2
   1   5   1   5   3  11   6   2  11   8   3   2   1   4   2   1
   1   4   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    65    67    80  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    60    99    65    67    80    81    68    50  
   38    39    40    44    65    67    80  
   36    37  
   37  
    0  
   39    40    41    42    43    44    65    67    80  
   40    41    67  
   41    42    43    45    62    44    47    67    50  
   42    43    45    46    54    59    62    63    44    47    48    49    56    65    67    80    50    51    52    53  
   43    45    62    44    47    67    50  
   45    46    54    55    59    62    63    44    47    67    50  
   47    48    49    56    57    58    60    99    65    67    80    81    68    50    51    52    53    45    62  
   46    54    55    59    62    63  
   54    55    59    62  
   48    49    56    57    58    60    61    64    65    67    80    50    51    52    53  
   49    56    57    58    60    67    50  
   56    57    58    60    67    50  
   51    52    53    56    65    67    80  
   52    53    67  
   53    67  
   67  
   55    59    62    63  
   59    62  
   57    58    60    61    64    66    99    65    67    68    72    74  
   58    60    61    64    65  
   60    61    64    65  
   62    63  
   61    64    66    78    89    99    65    67    80    68    69    70    71   104    82    72    73    84    74    75    76    77  
   64    66    99    65    67    68    72    74  
   63  
    0  
   66    78    79    86    89    99    65    67    68   104    82    83    72    73    84    85    87    74    75    76    77  
   67    80    81    68    69    70    71   104   105    82    72    74    66    78    86    89    99  
   78    79    86    89    99    67    68   104   105    90    94    82    83    72    73    84    74    75    76    77  
   80    81    68    69    70    71   104    89    99  
   69    70    71   104    80    89    99  
   70    71    99  
   71    99  
   99  
   73    84    85    87    88    98    74    75    76    77    78    82    99  
   84    85    87    74  
   75    76    77    78    82    84    99  
   76    77  
   77  
    0  
   79    86    89    99   104    90    91    92    93    94    95    96    97    82    83  
   86    89    99    90    94    82  
   81    99  
    0  
   83    86    89    99   104  
   99  
   85    87    88    98   100  
   87    88    98  
   89    99   104    90    91    92    93    94    95    96    97  
   88    98   100   101   102   103  
   98   100  
   99   104   105    90    91    92    93    94    95    96    97  
   91    92    93    94    95    96    97    99  
   92    93    94  
   93    94  
   94  
   95    96    97    99  
   96    97  
   97  
    0  
  100   101   102   103  
  104   105  
  101   102   103  
  102   103  
  103  
    0  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   99   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
  105   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    67   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    62   546.000  1.367
   45    46   367.000  1.080
   45    54   546.000  1.367
   54    55   367.000  1.080
   54    59   340.000  1.360
   59    62   340.000  1.360
   62    63   367.000  1.080
   44    47   268.000  1.529
   44    67   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    65   268.000  1.529
   64    66   268.000  1.529
   64    72   317.000  1.510
   64    74   268.000  1.529
   66    78   317.000  1.522
   66    99   250.000  1.527
   66    82   320.000  1.410
   78    79   570.000  1.229
   78    86   317.000  1.522
   86    89   320.000  1.410
   86    90   268.000  1.529
   86    94   268.000  1.529
   89    99   320.000  1.380
   99    65   250.000  1.527
   99   104   380.000  1.407
   65    67   268.000  1.529
   65    68   268.000  1.529
   67    80   320.000  1.410
   80    81   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
  104   105   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   82    83   553.000  0.945
   72    73   340.000  1.080
   72    84   549.000  1.340
   84    85   340.000  1.080
   84    87   320.000  1.462
   87    88   570.000  1.229
   87    98   214.000  1.327
   98   100   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    67    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    67    44    58.35000  112.70000
   33    67    65    58.35000  112.70000
   33    67    80    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    62    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    67    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    54    70.00000  107.30000
   43    62    59    70.00000  110.60000
   43    62    63    35.00000  132.10000
   45    54    55    35.00000  132.10000
   45    54    59    70.00000  110.60000
   54    45    46    35.00000  125.70000
   54    59    62    70.00000  106.50000
   59    54    55    35.00000  113.40000
   59    62    63    35.00000  113.40000
   62    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    67    65    58.35000  112.70000
   44    67    80    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    65    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    66    58.35000  112.70000
   60    64    72    70.00000  112.02700
   60    64    74    58.35000  112.70000
   60    65    99    75.00000  109.43000
   60    65    67    58.35000  112.70000
   60    65    68    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    66    78    63.00000  111.10000
   64    66    99    75.00000  109.43000
   64    66    82    50.00000  109.50000
   64    72    73    35.00000  117.00000
   64    72    84    70.00000  124.00000
   64    74    75    37.50000  110.70000
   64    74    76    37.50000  110.70000
   64    74    77    37.50000  110.70000
   66    78    79    80.00000  120.40000
   66    78    86    70.00000  116.00000
   66    99    89    90.00000  108.56700
   66    99    65    65.00000  112.71400
   66    99   104    90.00000  110.19100
   66    82    83    55.00000  108.50000
   78    86    89    90.00000  108.74100
   78    86    90    63.00000  111.10000
   78    86    94    63.00000  111.10000
   86    78    79    80.00000  120.40000
   86    89    99    60.00000  109.50000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    93    37.50000  110.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    37.50000  110.70000
   89    99    65    90.00000  108.56700
   89    99   104   110.00000  112.08000
   99    66    78    63.00000  111.10000
   99    65    67    75.00000  109.43000
   99    65    68    75.00000  109.43000
   99   104   105    70.00000  107.92000
   65    60    61    37.50000  110.70000
   65    60    64    58.35000  112.70000
   65    67    80    50.00000  109.50000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   67    33    34    37.50000  110.70000
   67    33    38    63.00000  111.10000
   67    44    47    58.35000  112.70000
   67    80    81    55.00000  108.50000
   68    65    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
  104    99    65    90.00000  110.19100
   90    86    89    50.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    86    89    50.00000  109.50000
   94    86    90    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   82    66    78    90.00000  109.61100
   82    66    99    90.00000  111.58700
   72    64    66    70.00000  112.02700
   72    84    85    35.00000  120.00000
   72    84    87    65.00000  118.96000
   84    72    73    35.00000  120.00000
   84    87    88    80.00000  123.72100
   84    87    98    90.00000  111.29400
   87    84    85    40.00000  117.72500
   87    98   100    83.00000  116.90000
   98    87    88    83.00000  123.40000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   74    64    66    58.35000  112.70000
   74    64    72    70.00000  112.02700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   50    44    47    58.35000  112.70000
   50    44    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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
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   67    44    50    53   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    65    67    33   0.56750  1.0 1.0
   68    65    67    33  -0.07550 -1.0 2.0
   68    65    67    33   0.20000  1.0 3.0
   68    65    67    44   0.56750  1.0 1.0
   68    65    67    44  -0.07550 -1.0 2.0
   68    65    67    44   0.20000  1.0 3.0
   68    65    67    80   0.86500  1.0 1.0
   68    65    67    80  -0.17500 -1.0 2.0
   68    65    67    80   0.20800  1.0 3.0
  104    99    65    60   0.86500  1.0 1.0
  104    99    65    60  -0.17500 -1.0 2.0
  104    99    65    60   0.20800  1.0 3.0
  104    99    65    67   0.86500  1.0 1.0
  104    99    65    67  -0.17500 -1.0 2.0
  104    99    65    67   0.20800  1.0 3.0
  104    99    65    68   0.86500  1.0 1.0
  104    99    65    68  -0.17500 -1.0 2.0
  104    99    65    68   0.20800  1.0 3.0
   90    86    89    99   0.06250  1.0 1.0
   90    86    89    99  -0.01100 -1.0 2.0
   90    86    89    99   0.28050  1.0 3.0
   90    86    94    95   0.15000  1.0 3.0
   90    86    94    96   0.15000  1.0 3.0
   90    86    94    97   0.15000  1.0 3.0
   94    86    89    99   0.06250  1.0 1.0
   94    86    89    99  -0.01100 -1.0 2.0
   94    86    89    99   0.28050  1.0 3.0
   94    86    90    91   0.15000  1.0 3.0
   94    86    90    92   0.15000  1.0 3.0
   94    86    90    93   0.15000  1.0 3.0
   82    66    78    79   0.30150 -1.0 2.0
   82    66    78    86   0.55300  1.0 1.0
   82    66    78    86   1.25850 -1.0 2.0
   82    66    78    86  -0.23600  1.0 3.0
   82    66    99    89   3.69350  1.0 1.0
   82    66    99    89  -1.82950 -1.0 2.0
   82    66    99    65   0.86500  1.0 1.0
   82    66    99    65  -0.17500 -1.0 2.0
   82    66    99    65   0.20800  1.0 3.0
   82    66    99   104   3.75450  1.0 1.0
   72    64    66    78  -0.98800  1.0 1.0
   72    64    66    78   0.48800 -1.0 2.0
   72    64    66    78   0.76800  1.0 3.0
   72    64    66    99   0.34400  1.0 1.0
   72    64    66    99   0.09450 -1.0 2.0
   72    64    66    99   0.11100  1.0 3.0
   72    64    66    82   1.05650  1.0 1.0
   72    64    66    82   0.15600 -1.0 2.0
   72    64    66    82   0.53150  1.0 3.0
   72    64    74    75   0.15000  1.0 3.0
   72    64    74    76   0.15000  1.0 3.0
   72    64    74    77   0.15000  1.0 3.0
   72    84    87    88   1.00000 -1.0 2.0
   72    84    87    98  -0.56150  1.0 1.0
   72    84    87    98   2.19150 -1.0 2.0
   73    72    84    85   7.00000 -1.0 2.0
   73    72    84    87   7.00000 -1.0 2.0
   84    87    98   100   2.00000 -1.0 2.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    98   1.63100 -1.0 2.0
   87    98   100   101   0.08050  1.0 3.0
   87    98   100   102   0.08050  1.0 3.0
   87    98   100   103   0.08050  1.0 3.0
   88    87    98   100   3.00000 -1.0 2.0
   74    64    66    78  -0.95700  1.0 1.0
   74    64    66    78  -0.18200 -1.0 2.0
   74    64    66    78   0.29450  1.0 3.0
   74    64    66    99   3.97050  1.0 1.0
   74    64    66    82   0.86500  1.0 1.0
   74    64    66    82  -0.17500 -1.0 2.0
   74    64    66    82   0.20800  1.0 3.0
   74    64    72    73   0.00000  1.0 1.0
   74    64    72    84   0.09850  1.0 1.0
   74    64    72    84   0.15250 -1.0 2.0
   74    64    72    84  -0.50650  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    67    33   0.56750  1.0 1.0
   50    44    67    33  -0.07550 -1.0 2.0
   50    44    67    33   0.20000  1.0 3.0
   50    44    67    65   0.56750  1.0 1.0
   50    44    67    65  -0.07550 -1.0 2.0
   50    44    67    65   0.20000  1.0 3.0
   50    44    67    80   0.86500  1.0 1.0
   50    44    67    80  -0.17500 -1.0 2.0
   50    44    67    80   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    62    43    41   4.00000 -1.0 2.0
   54    46    45    43   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   59    63    62    43   1.10000 -1.0 2.0
   66    86    78    79  10.50000 -1.0 2.0
   64    73    72    84  15.00000 -1.0 2.0
   87    85    84    72  15.00000 -1.0 2.0
   84    98    87    88  10.50000 -1.0 2.0
END
