* LIGAND DATABASE FILE (OPLS2005)
*
001      93    96    179    284     528
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02159    89.40181   -70.10020
    3     1 S   H    _H1_     3     1.02029    91.14661    38.58382
    4     1 S   H    _H2_     4     1.02119    32.89235   162.56716
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.85185    97.22506  -178.16400
   34    33 S   HC   _H4_    37     1.11228   103.69172   -39.67670
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   C5A  _C22    38     1.46983   111.68557    80.01128
   39    33 S   CT   _C24    88     1.55597   107.64891  -151.45569
   40    39 S   HC   _H22    89     1.09959   111.09941    54.00207
   41    39 S   HC   _H23    90     1.09763   110.38543   -63.89662
   42    38 S   C5BC _C21    39     1.37940   132.97016   -85.23583
   43    42 S   HA   _H21    40     1.08126   126.09480    -0.63304
   44    39 S   CO3  _C25    91     1.53560   114.51787   173.47000
   45    44 S   O2Z  _O35    92     1.26198   116.25697   -32.55800
   46    44 S   O2Z  _O34    93     1.26409   114.31707   148.30397
   47    42 S   C5BC _C20    41     1.41805   106.20727   179.50663
   48    47 S   C5A  _C19    42     1.37883   105.22479     1.41305
   49    48 S   CT   _C18    43     1.47814   127.94103   178.70653
   50    49 S   HC   _H19    44     1.09605   109.22878   103.14673
   51    49 S   HC   _H20    45     1.09446   111.11236  -137.93674
   52    38 S   OA   _O33    87     1.36230   116.11837    95.17170
   53    49 S   CT   _C17    46     1.54264   108.89928   -16.60226
   54    53 S   HC   _H17    47     1.09590   109.41964   166.50209
   55    53 S   HC   _H18    48     1.09742   109.43599   -76.57994
   56    53 S   CT   _C16    49     1.54326   112.12088    44.30761
   57    56 S   HC   _H15    50     1.09911   108.35655    62.05560
   58    56 S   HC   _H16    51     1.09694   109.90835   177.85927
   59    47 S   CT   _C15    52     1.49667   133.22358   177.90370
   60    59 S   HC   _H3_    53     1.12173   108.13578   -71.15612
   61    59 S   CA   _C13    54     1.51445   107.29663    45.11048
   62    61 S   CA   _C12    55     1.38522   120.15171  -116.28860
   63    62 S   HA   _H13    56     1.08718   120.76680    -0.56958
   64    62 S   CA   _C11    57     1.39369   119.69969   179.34091
   65    64 S   HA   _H12    58     1.08595   117.56905   179.39964
   66    64 S   CA   _C10    59     1.41377   121.75877    -0.14671
   67    66 S   CA   _C9_    60     1.41680   118.47976     1.96404
   68    61 S   CA   _C14    61     1.39321   120.15791    63.84550
   69    68 S   HA   _H14    62     1.08804   118.01549    -0.75381
   70    67 S   CT   _C8_    63     1.53433   122.35632   178.97588
   71    70 S   CT   _C7_    64     1.54494   111.66851   -15.32696
   72    71 S   HC   _H10    65     1.09804   110.28762   -76.58374
   73    71 S   HC   _H11    66     1.09755   110.13198   167.09700
   74    70 S   CT   _C26    79     1.54558   108.68361   106.02256
   75    74 S   HC   _H24    80     1.08260   108.95309   180.00000
   76    74 S   HC   _H25    81     1.08317   108.91022    59.94579
   77    74 S   HC   _H26    82     1.08336   108.90268   -60.00078
   78    70 S   CT   _C27    83     1.54720   111.85412  -134.47205
   79    78 S   HC   _H27    84     1.08203   108.81665  -179.98022
   80    78 S   HC   _H28    85     1.08218   108.80279    60.05871
   81    78 S   HC   _H29    86     1.08172   108.81670   -60.00292
   82    71 S   CT   _C6_    67     1.51904   112.00682    45.31701
   83    82 S   HC   _H8_    68     1.09656   109.27773    60.17746
   84    82 S   HC   _H9_    69     1.09797   109.16204   175.38115
   85    66 S   CT   _C5_    70     1.53398   119.06043  -179.76344
   86    85 S   CT   _C4_    71     1.54801   111.86987    47.29215
   87    86 S   HC   _H5_    72     1.08199   108.77689   179.96574
   88    86 S   HC   _H6_    73     1.08185   108.80479    60.00683
   89    86 S   HC   _H7_    74     1.08211   108.76680   -60.07878
   90    85 S   CT   _C28    75     1.54391   108.72456   -72.27757
   91    90 S   HC   _H30    76     1.08245   108.98236  -179.94405
   92    90 S   HC   _H31    77     1.08279   108.94148    60.02488
   93    90 S   HC   _H32    78     1.08290   108.94425   -59.96048
  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
  13   7   2   1   1  11   7   4   3   9   4   2   1   1  14  11
  10   6   5   2   8   5   4   7   4   3   8   3   9   8   4   9
   3  19  18   6   1  15  16   7   6   8   3   2   1   4   2   1
   1  11   4   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    52    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    48    52    39    40    41    44    45    46  
   38    42    52    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    59    52    39    40    41    44  
   40    41    44    45    46    42    52  
   41    44    45    46  
   44    45    46  
   43    47    48    49    56    59    60    61    52  
   47    48    59    52  
   45    46  
   46  
    0  
   48    49    50    51    53    56    57    58    59    60    61    62    68    52  
   49    50    51    53    54    55    56    59    60    61    52  
   50    51    53    54    55    56    57    58    59    52  
   51    53    54    55    56    52  
   53    54    55    56    52  
   53    59  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    68  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    67    68    69  
   61    62    68  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    85  
   64    65    66    68  
   65    66    67    68    70    82    85    86    90  
   66    67    85  
   67    68    69    70    71    82    83    84    85    86    87    88    89    90    91    92    93    74    78  
   68    69    70    71    72    73    82    85    86    90    74    75    76    77    78    79    80    81  
   69    70    71    85    74    78  
   70  
   71    72    73    82    83    84    85    74    75    76    77    78    79    80    81  
   72    73    82    83    84    85    86    90    74    75    76    77    78    79    80    81  
   73    82    83    84    85    74    78  
   82    83    84    85    74    78  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91    92    93  
   84    85    86    90  
   85    86    90  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93  
   92    93  
   93  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   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   3.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   295.000  1.489
   33    39   268.000  1.529
   38    42   546.000  1.367
   38    52   340.000  1.360
   42    43   367.000  1.080
   42    47   469.000  1.424
   47    48   546.000  1.367
   47    59   285.000  1.502
   48    49   295.000  1.489
   48    52   340.000  1.360
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   317.000  1.510
   61    62   469.000  1.400
   61    68   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    85   317.000  1.510
   67    68   469.000  1.400
   67    70   317.000  1.510
   68    69   367.000  1.080
   70    71   268.000  1.529
   70    74   268.000  1.529
   70    78   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   268.000  1.529
   85    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    50.00000  133.50000
   33    38    52    80.00000  116.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    45.00000  110.47400
   38    42    43    35.00000  125.70000
   38    42    47    70.00000  107.30000
   38    52    48    70.00000  106.50000
   42    47    48    70.00000  107.30000
   42    47    59    60.00000  130.00000
   47    42    43    35.00000  127.50000
   47    48    49    50.00000  133.50000
   47    48    52    70.00000  110.60000
   47    59    56    70.00000  112.17500
   47    59    60    35.00000  109.50000
   47    59    61    70.00000  112.04700
   48    49    50    45.00000  110.47400
   48    49    51    45.00000  110.47400
   48    49    53    70.00000  113.44400
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    70.00000  112.17500
   58    56    57    33.00000  107.80000
   59    47    48    60.00000  130.00000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    70.00000  120.00000
   59    61    68    70.00000  120.00000
   61    59    60    35.00000  109.50000
   61    62    63    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    68    67    63.00000  120.00000
   61    68    69    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    85    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    63.00000  120.00000
   66    67    70    70.00000  120.00000
   66    85    82    70.00000  112.17500
   66    85    86    70.00000  112.17500
   66    85    90    70.00000  112.17500
   67    68    69    35.00000  120.00000
   67    70    71    70.00000  112.17500
   67    70    74    70.00000  112.17500
   67    70    78    70.00000  112.17500
   68    61    62    63.00000  120.00000
   70    67    68    70.00000  120.00000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    82    58.35000  112.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   71    82    83    37.50000  110.70000
   71    82    84    37.50000  110.70000
   71    82    85    58.35000  112.70000
   73    71    72    33.00000  107.80000
   82    71    72    37.50000  110.70000
   82    71    73    37.50000  110.70000
   82    85    86    58.35000  112.70000
   82    85    90    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    66    67    70.00000  120.00000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    86    87    37.50000  110.70000
   85    86    88    37.50000  110.70000
   85    86    89    37.50000  110.70000
   85    90    91    37.50000  110.70000
   85    90    92    37.50000  110.70000
   85    90    93    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    85    86    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   74    70    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    70    71    58.35000  112.70000
   78    70    74    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
   52    38    42    70.00000  110.60000
   52    48    49    80.00000  116.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  113.44400
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    52   0.04300 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    52    48   3.62500 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    52   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    42   -47    48   3.62500 -1.0 2.0
   38    42    47    59   3.62500 -1.0 2.0
   42    38   -52    48   3.62500 -1.0 2.0
   42    47    48    49   3.62500 -1.0 2.0
   42    47   -48    52   3.62500 -1.0 2.0
   42    47    59    56   0.04150 -1.0 2.0
   42    47    59    60   0.00000  1.0 1.0
   42    47    59    61   0.04300 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    59   3.62500 -1.0 2.0
   47    48    49    50   0.00000  1.0 1.0
   47    48    49    51   0.00000  1.0 1.0
   47    48    49    53   0.04150 -1.0 2.0
   47    48   -52    38   3.62500 -1.0 2.0
   47    59    61    62   0.04300 -1.0 2.0
   47    59    61    68   0.04300 -1.0 2.0
   48    47    59    56   0.04150 -1.0 2.0
   48    47    59    60   0.00000  1.0 1.0
   48    47    59    61   0.04300 -1.0 2.0
   48    49    53    54   0.43200  1.0 3.0
   48    49    53    55   0.43200  1.0 3.0
   48    49   -53    56  -0.03700  1.0 1.0
   48    49   -53    56   0.37200 -1.0 2.0
   48    49   -53    56  -0.47300  1.0 3.0
   49    48    52    38   3.62500 -1.0 2.0
   49    53    56    57   0.15000  1.0 3.0
   49    53    56    58   0.15000  1.0 3.0
   49    53    56    59   0.56750  1.0 1.0
   49    53    56    59  -0.07550 -1.0 2.0
   49    53    56    59   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   53    56   -59    47  -0.03700  1.0 1.0
   53    56   -59    47   0.37200 -1.0 2.0
   53    56   -59    47  -0.47300  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61  -0.03700  1.0 1.0
   53    56    59    61   0.37200 -1.0 2.0
   53    56    59    61  -0.47300  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   0.04150 -1.0 2.0
   56    59    61    68   0.04150 -1.0 2.0
   57    56    59    47   0.43200  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.43200  1.0 3.0
   58    56    59    47   0.43200  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.43200  1.0 3.0
   59    47   -48    49   3.62500 -1.0 2.0
   59    47    48    52   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    64   3.62500 -1.0 2.0
   59    61    68    67   3.62500 -1.0 2.0
   59    61    68    69   3.62500 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    68   0.00000  1.0 1.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    66   3.62500 -1.0 2.0
   62    61    68    67   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    64   -66    67   3.62500 -1.0 2.0
   62    64    66    85   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    70   3.62500 -1.0 2.0
   64    66    85    82   0.04150 -1.0 2.0
   64    66    85    86   0.04150 -1.0 2.0
   64    66    85    90   0.04150 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    85   3.62500 -1.0 2.0
   66    67   -68    61   3.62500 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    70    71   0.04150 -1.0 2.0
   66    67    70    74   0.04150 -1.0 2.0
   66    67    70    78   0.04150 -1.0 2.0
   66    85    86    87   0.43200  1.0 3.0
   66    85    86    88   0.43200  1.0 3.0
   66    85    86    89   0.43200  1.0 3.0
   66    85    90    91   0.43200  1.0 3.0
   66    85    90    92   0.43200  1.0 3.0
   66    85    90    93   0.43200  1.0 3.0
   67    66    85    82   0.04150 -1.0 2.0
   67    66    85    86   0.04150 -1.0 2.0
   67    66    85    90   0.04150 -1.0 2.0
   67    70    71    72   0.43200  1.0 3.0
   67    70    71    73   0.43200  1.0 3.0
   67    70   -71    82  -0.03700  1.0 1.0
   67    70   -71    82   0.37200 -1.0 2.0
   67    70   -71    82  -0.47300  1.0 3.0
   67    70    74    75   0.43200  1.0 3.0
   67    70    74    76   0.43200  1.0 3.0
   67    70    74    77   0.43200  1.0 3.0
   67    70    78    79   0.43200  1.0 3.0
   67    70    78    80   0.43200  1.0 3.0
   67    70    78    81   0.43200  1.0 3.0
   68    61    62    63   3.62500 -1.0 2.0
   68    61   -62    64   3.62500 -1.0 2.0
   68    67    70    71   0.04150 -1.0 2.0
   68    67    70    74   0.04150 -1.0 2.0
   68    67    70    78   0.04150 -1.0 2.0
   70    67    68    61   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    71    82    83   0.15000  1.0 3.0
   70    71    82    84   0.15000  1.0 3.0
   70    71    82    85   0.56750  1.0 1.0
   70    71    82    85  -0.07550 -1.0 2.0
   70    71    82    85   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    81   0.15000  1.0 3.0
   71    82   -85    66  -0.03700  1.0 1.0
   71    82   -85    66   0.37200 -1.0 2.0
   71    82   -85    66  -0.47300  1.0 3.0
   71    82    85    86   0.56750  1.0 1.0
   71    82    85    86  -0.07550 -1.0 2.0
   71    82    85    86   0.20000  1.0 3.0
   71    82    85    90   0.56750  1.0 1.0
   71    82    85    90  -0.07550 -1.0 2.0
   71    82    85    90   0.20000  1.0 3.0
   72    71    82    83   0.15000  1.0 3.0
   72    71    82    84   0.15000  1.0 3.0
   72    71    82    85   0.15000  1.0 3.0
   73    71    82    83   0.15000  1.0 3.0
   73    71    82    84   0.15000  1.0 3.0
   73    71    82    85   0.15000  1.0 3.0
   82    85    86    87   0.15000  1.0 3.0
   82    85    86    88   0.15000  1.0 3.0
   82    85    86    89   0.15000  1.0 3.0
   82    85    90    91   0.15000  1.0 3.0
   82    85    90    92   0.15000  1.0 3.0
   82    85    90    93   0.15000  1.0 3.0
   83    82    85    66   0.43200  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    90   0.15000  1.0 3.0
   84    82    85    66   0.43200  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    90   0.15000  1.0 3.0
   85    66    67    68   3.62500 -1.0 2.0
   85    66   -67    70   3.62500 -1.0 2.0
   86    85    90    91   0.15000  1.0 3.0
   86    85    90    92   0.15000  1.0 3.0
   86    85    90    93   0.15000  1.0 3.0
   90    85    86    87   0.15000  1.0 3.0
   90    85    86    88   0.15000  1.0 3.0
   90    85    86    89   0.15000  1.0 3.0
   74    70    71    72   0.15000  1.0 3.0
   74    70    71    73   0.15000  1.0 3.0
   74    70    71    82   0.56750  1.0 1.0
   74    70    71    82  -0.07550 -1.0 2.0
   74    70    71    82   0.20000  1.0 3.0
   74    70    78    79   0.15000  1.0 3.0
   74    70    78    80   0.15000  1.0 3.0
   74    70    78    81   0.15000  1.0 3.0
   78    70    71    72   0.15000  1.0 3.0
   78    70    71    73   0.15000  1.0 3.0
   78    70    71    82   0.56750  1.0 1.0
   78    70    71    82  -0.07550 -1.0 2.0
   78    70    71    82   0.20000  1.0 3.0
   78    70    74    75   0.15000  1.0 3.0
   78    70    74    76   0.15000  1.0 3.0
   78    70    74    77   0.15000  1.0 3.0
   52    38    42    43   3.62500 -1.0 2.0
   52    38   -42    47   3.62500 -1.0 2.0
   52    48    49    50   0.00000  1.0 1.0
   52    48    49    51   0.00000  1.0 1.0
   52    48    49    53   0.38650  1.0 1.0
   52    48    49    53  -0.24750 -1.0 2.0
   52    48    49    53   0.76750  1.0 3.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    52   0.38650  1.0 1.0
   39    33    38    52  -0.24750 -1.0 2.0
   39    33    38    52   0.76750  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    52    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   48    59    47    42   4.00000 -1.0 2.0
   49    52    48    47   4.00000 -1.0 2.0
   62    68    61    59   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    85    66    64   4.00000 -1.0 2.0
   68    70    67    66   4.00000 -1.0 2.0
   67    69    68    61   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
