* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    166    264     493
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02061    45.36596   105.96413
    3     1 S   H    _H1_     3     1.02103    67.49304  -100.30511
    4     1 S   H    _H2_     4     1.02047   104.81735     4.14647
    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     1.08611   110.43906    58.92669
   26    24 S   HC   HB22    34     1.08669   109.83319   178.96297
   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   _C26    36     1.85418   101.02437   159.98609
   34    33 S   OM   _O27    37     1.32476   109.78787   164.16721
   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   CT   _C23    38     1.52760   108.00295   -80.00781
   39    38 S   HC   _H50    39     1.09744   107.87312    62.08141
   40    33 S   OS   _O29    65     1.45120   113.94811    36.42757
   41    38 S   CT   _C20    40     1.53315   110.66018  -179.48909
   42    41 S   HC   _H45    41     1.09782   109.96478    56.63483
   43    41 S   HC   _H46    42     1.09713   109.94713   -60.68207
   44    40 S   CA   _C15    66     1.36811   125.03898    61.94460
   45    41 S   CT   _C18    43     1.52799   111.68118   177.98899
   46    45 S   HC   _H41    44     1.09688   109.19837    66.43402
   47    45 S   HC   _H42    45     1.09662   109.17358  -177.03760
   48    44 S   CA   _C12    67     1.39472   119.14508    -0.01978
   49    48 S   HA   _H40    68     1.08622   120.34333     0.05935
   50    45 S   CT   _C22    46     1.53409   111.67650   -55.29977
   51    50 S   HC   _H49    47     1.09885   108.38016   -63.96650
   52    48 S   CA   _C8_    69     1.39442   119.98832  -179.86012
   53    52 S   HA   _H36    70     1.08670   120.04248  -179.93147
   54    50 S   CT   _C19    48     1.53372   110.82232    54.76390
   55    54 S   HC   _H43    49     1.09678   109.92833  -176.11420
   56    54 S   HC   _H44    50     1.09719   109.93434    66.59587
   57    50 S   CT   _C25    54     1.52760   110.69166   177.96828
   58    57 S   HC   _H53    55     1.08216   108.65339    39.96947
   59    57 S   HC   _H54    56     1.08178   108.93942   -80.65636
   60    52 S   CA   _C5_    71     1.39521   120.03754    -0.03956
   61    60 S   HA   _H33    72     1.08520   119.99945  -179.96574
   62    38 S   CT   _C21    51     1.53390   110.65502   -56.24784
   63    62 S   HC   _H47    52     1.09621   109.94642    60.63608
   64    62 S   HC   _H48    53     1.09759   109.94011   -56.64713
   65    57 S   NE   _N26    57     1.42352   109.79352   159.58375
   66    65 S   H    _H58    58     1.02522   116.67656     0.88470
   67    60 S   CA   _C9_    73     1.39558   119.95297     0.03956
   68    67 S   HA   _H37    74     1.08664   119.32165   179.98022
   69    65 S   CDX  _C17    59     1.39239   127.63791  -179.20525
   70    44 S   CA   _C13    75     1.39519   120.83982  -179.92338
   71    69 S   NI   _N24    60     1.30598   121.84625  -180.00000
   72    71 S   H    _H55    61     1.02605   108.57731     0.00000
   73    69 S   NE   _N25    62     1.37214   116.35764    -0.02798
   74    73 S   H    _H56    63     1.01319   122.32037  -179.93147
   75    73 S   H    _H57    64     1.01446   121.00613    -0.01978
   76    70 S   CO4  _C16    76     1.45632   120.89595    -0.10468
   77    76 S   O    _O28    77     1.23657   124.36398  -120.00958
   78    76 S   OS   _O30    78     1.36789   111.49308    59.89715
   79    78 S   CT   _C24    79     1.43186   116.74616  -179.93744
   80    79 S   HC   _H51    80     1.09515   109.06616    58.74318
   81    79 S   HC   _H52    81     1.09548   109.13692   -58.88985
   82    79 S   CA   _C14    82     1.50100   109.00359  -179.93147
   83    82 S   CA   _C10    83     1.39419   119.97938    90.00163
   84    83 S   HA   _H38    84     1.08672   120.55422    -0.03956
   85    83 S   CA   _C6_    85     1.39528   119.99445   180.00000
   86    85 S   HA   _H34    86     1.08599   119.99586  -179.95154
   87    85 S   CA   _C4_    87     1.39526   119.98649     0.02798
   88    87 S   HA   _H32    88     1.08609   120.00722  -179.93744
   89    87 S   CA   _C7_    89     1.39479   119.99028    -0.00000
   90    89 S   HA   _H35    90     1.08614   120.02621  -179.97202
   91    82 S   CA   _C11    91     1.39526   120.00148   -90.00910
   92    91 S   HA   _H39    92     1.08734   120.47347     0.00000
  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   8   5   4   3
  15   6   2   1   1  16   9   9  12   6   5  11  12   5   4   8
   4  13   8   6   3   9   5   4   8   4   3   5   3   2   1   1
   7   3   5   2   5   4   4   1   2   1   1   6   2   6   9   4
   3   9   8   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    62    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    45    54    62    63    64    40    44    48    70  
   38    39    41    62    40    44  
   36    37  
   37  
    0  
   39    41    42    43    45    46    47    50    54    55    56    62    63    64    40    44  
   41    42    43    45    54    62    63    64    40  
   44    48    49    52    67    70    76    41    62  
   42    43    45    46    47    50    51    54    62    63    64    57  
   43    45    46    47    50    62  
   45    46    47    50    62  
   48    49    52    53    60    67    68    70    76    77    78  
   46    47    50    51    54    55    56    62    57    58    59    65  
   47    50    51    54    57  
   50    51    54    57  
   49    52    53    60    61    67    70    76  
   52    53    60    70  
   51    54    55    56    62    63    64    57    58    59    65    66    69  
   54    55    56    62    57    58    59    65  
   53    60    61    67    68    70  
   60    61    67  
   55    56    62    63    64    57    58    59    65  
   56    62    63    64    57  
   62    63    64    57  
   58    59    65    66    69    71    73    62  
   59    65    66    69  
   65    66    69  
   61    67    68    70    76  
   67    68    70  
   63    64  
   64  
    0  
   66    69    71    72    73    74    75  
   69    71    73  
   68    70    76    77    78  
   70    76  
   71    72    73    74    75  
   76    77    78    79  
   72    73    74    75  
   73  
   74    75  
   75  
    0  
   77    78    79    80    81    82  
   78    79  
   79    80    81    82    83    91  
   80    81    82    83    84    85    89    91    92  
   81    82    83    91  
   82    83    91  
   83    84    85    86    87    89    90    91    92  
   84    85    86    87    88    89    91    92  
   85    86    87    91  
   86    87    88    89    90    91  
   87    88    89  
   88    89    90    91    92  
   89    90    91  
   90    91    92  
   91    92  
   92  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.085000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.399000   2.1120   1.8750   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   72   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   79   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    62   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   382.000  1.448
   65    66   434.000  1.010
   65    69   445.000  1.380
   69    71   650.000  1.285
   69    73   445.000  1.380
   71    72   434.000  1.010
   73    74   434.000  1.010
   73    75   434.000  1.010
   40    44   450.000  1.364
   44    48   469.000  1.400
   44    70   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    76   310.000  1.470
   76    77   570.000  1.229
   76    78   214.000  1.327
   78    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.510
   82    83   469.000  1.400
   82    91   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    92   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    62    58.35000  112.70000
   33    40    44    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    62    54    58.35000  112.70000
   38    62    63    37.50000  110.70000
   38    62    64    37.50000  110.70000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    62    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    65    80.00000  111.61500
   54    50    51    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   56    54    55    33.00000  107.80000
   62    38    39    37.50000  110.70000
   62    38    41    58.35000  112.70000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   64    62    63    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    65    66    35.00000  112.50000
   57    65    69    50.00000  119.50000
   59    57    58    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    59    35.00000  109.50000
   65    69    71    75.00000  124.36500
   65    69    73    85.00000  116.27000
   69    65    66    35.00000  119.50000
   69    71    72    55.00000  110.29700
   69    73    74    35.00000  119.50000
   69    73    75    35.00000  119.50000
   73    69    71    75.00000  124.36500
   75    73    74    35.00000  109.00000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    44    48    70.00000  120.00000
   40    44    70    70.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    70    67    63.00000  120.00000
   44    70    76    60.00000  119.52600
   48    52    53    35.00000  120.00000
   48    52    60    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    67    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    70    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    76    60.00000  119.52600
   70    44    48    63.00000  120.00000
   70    67    68    35.00000  120.00000
   70    76    77    75.00000  123.78400
   70    76    78    81.00000  111.40000
   76    78    79    83.00000  116.90000
   78    76    77    83.00000  123.40000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    85.00000  111.85700
   79    82    83    70.00000  120.00000
   79    82    91    70.00000  120.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    83    84    35.00000  120.00000
   82    83    85    63.00000  120.00000
   82    91    89    63.00000  120.00000
   82    91    92    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    63.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   89    91    92    35.00000  120.00000
   91    82    83    63.00000  120.00000
   91    89    90    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    62   0.44750  1.0 1.0
   29    33    38    62  -0.17800 -1.0 2.0
   29    33    38    62   0.20200  1.0 3.0
   29    33    40    44   0.14700  1.0 1.0
   29    33    40    44  -1.16150 -1.0 2.0
   29    33    40    44   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    62    54   0.56750  1.0 1.0
   33    38    62    54  -0.07550 -1.0 2.0
   33    38    62    54   0.20000  1.0 3.0
   33    38    62    63   0.15000  1.0 3.0
   33    38    62    64   0.15000  1.0 3.0
   33    40    44    48   1.63200 -1.0 2.0
   33    40    44    70   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    62   0.62750  1.0 1.0
   34    33    38    62  -0.30950 -1.0 2.0
   34    33    38    62   0.27300  1.0 3.0
   34    33    40    44  -0.25600  1.0 1.0
   34    33    40    44  -0.40050 -1.0 2.0
   34    33    40    44   0.34700  1.0 3.0
   38    33    40    44  -0.32850  1.0 1.0
   38    33    40    44  -0.35800 -1.0 2.0
   38    33    40    44   0.33950  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    50   0.56750  1.0 1.0
   38    41    45    50  -0.07550 -1.0 2.0
   38    41    45    50   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    62    54   0.15000  1.0 3.0
   39    38    62    63   0.15000  1.0 3.0
   39    38    62    64   0.15000  1.0 3.0
   41    38    62    54   0.56750  1.0 1.0
   41    38    62    54  -0.07550 -1.0 2.0
   41    38    62    54   0.20000  1.0 3.0
   41    38    62    63   0.15000  1.0 3.0
   41    38    62    64   0.15000  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45   -50    54   0.56750  1.0 1.0
   41    45   -50    54  -0.07550 -1.0 2.0
   41    45   -50    54   0.20000  1.0 3.0
   41    45    50    57   0.56750  1.0 1.0
   41    45    50    57  -0.07550 -1.0 2.0
   41    45    50    57   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    50   0.15000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    62   0.56750  1.0 1.0
   45    50    54    62  -0.07550 -1.0 2.0
   45    50    54    62   0.20000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    65   1.26750  1.0 1.0
   45    50    57    65  -0.00950 -1.0 2.0
   45    50    57    65   0.30600  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   50    54   -62    38   0.56750  1.0 1.0
   50    54   -62    38  -0.07550 -1.0 2.0
   50    54   -62    38   0.20000  1.0 3.0
   50    54    62    63   0.15000  1.0 3.0
   50    54    62    64   0.15000  1.0 3.0
   50    57    65    66   0.00000  1.0 1.0
   50    57    65    69   0.38950  1.0 1.0
   50    57    65    69  -0.47050 -1.0 2.0
   50    57    65    69   0.83150  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    62   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    65   0.22950  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    59   0.15000  1.0 3.0
   54    50    57    65   1.26750  1.0 1.0
   54    50    57    65  -0.00950 -1.0 2.0
   54    50    57    65   0.30600  1.0 3.0
   55    54    62    38   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   56    54    62    38   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   62    38    41    42   0.15000  1.0 3.0
   62    38    41    43   0.15000  1.0 3.0
   62    38   -41    45   0.56750  1.0 1.0
   62    38   -41    45  -0.07550 -1.0 2.0
   62    38   -41    45   0.20000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    62   0.56750  1.0 1.0
   57    50    54    62  -0.07550 -1.0 2.0
   57    50    54    62   0.20000  1.0 3.0
   57    65    69    71  -0.86000  1.0 1.0
   57    65    69    71   0.84650 -1.0 2.0
   57    65    69    73   1.17450  1.0 1.0
   57    65    69    73   0.83550 -1.0 2.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    69   0.00000  1.0 1.0
   59    57    65    66   0.00000  1.0 1.0
   59    57    65    69   0.00000  1.0 1.0
   65    69    71    72  -1.91600  1.0 1.0
   65    69    71    72   8.35800 -1.0 2.0
   65    69    73    74   1.00000 -1.0 2.0
   65    69    73    75   1.00000 -1.0 2.0
   66    65    69    71   1.50000 -1.0 2.0
   66    65    69    73   1.00000 -1.0 2.0
   71    69    73    74   1.50000 -1.0 2.0
   71    69    73    75   1.50000 -1.0 2.0
   73    69    71    72  -1.91600  1.0 1.0
   73    69    71    72   8.35800 -1.0 2.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    62   0.62750  1.0 1.0
   40    33    38    62  -0.30950 -1.0 2.0
   40    33    38    62   0.27300  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    52   3.62500 -1.0 2.0
   40    44    70    67   3.62500 -1.0 2.0
   40    44    70    76   3.62500 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    60   3.62500 -1.0 2.0
   44    70    76    77   1.05000 -1.0 2.0
   44    70    76    78   0.98750 -1.0 2.0
   48    44    70    67   3.62500 -1.0 2.0
   48    44    70    76   3.62500 -1.0 2.0
   48    52    60    61   3.62500 -1.0 2.0
   48    52   -60    67   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    60   3.62500 -1.0 2.0
   52    60    67    68   3.62500 -1.0 2.0
   52    60    67    70   3.62500 -1.0 2.0
   53    52    60    61   3.62500 -1.0 2.0
   53    52    60    67   3.62500 -1.0 2.0
   60    67   -70    44   3.62500 -1.0 2.0
   60    67    70    76   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   67    70    76    77   1.05000 -1.0 2.0
   67    70    76    78   0.98750 -1.0 2.0
   68    67    70    44   3.62500 -1.0 2.0
   68    67    70    76   3.62500 -1.0 2.0
   70    44    48    49   3.62500 -1.0 2.0
   70    44   -48    52   3.62500 -1.0 2.0
   70    76    78    79   0.59950  1.0 1.0
   70    76    78    79   3.24850 -1.0 2.0
   76    78    79    80   0.08050  1.0 3.0
   76    78    79    81   0.08050  1.0 3.0
   76    78    79    82  -0.43900 -1.0 2.0
   76    78    79    82   0.14100  1.0 3.0
   77    76    78    79   3.00000 -1.0 2.0
   78    79    82    83   0.64500  1.0 1.0
   78    79    82    83   0.14800 -1.0 2.0
   78    79    82    83   0.20650  1.0 3.0
   78    79    82    91   0.64500  1.0 1.0
   78    79    82    91   0.14800 -1.0 2.0
   78    79    82    91   0.20650  1.0 3.0
   79    82    83    84   3.62500 -1.0 2.0
   79    82    83    85   3.62500 -1.0 2.0
   79    82    91    89   3.62500 -1.0 2.0
   79    82    91    92   3.62500 -1.0 2.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    91   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    91   0.00000  1.0 1.0
   82    83    85    86   3.62500 -1.0 2.0
   82    83    85    87   3.62500 -1.0 2.0
   83    82    91    89   3.62500 -1.0 2.0
   83    82    91    92   3.62500 -1.0 2.0
   83    85    87    88   3.62500 -1.0 2.0
   83    85   -87    89   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87    89    91   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   87    89   -91    82   3.62500 -1.0 2.0
   87    89    91    92   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   90    89    91    82   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   91    82    83    84   3.62500 -1.0 2.0
   91    82   -83    85   3.62500 -1.0 2.0
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
   66    69    65    57   1.00000 -1.0 2.0
   65    73    69    71  10.50000 -1.0 2.0
   75    69    73    74   1.00000 -1.0 2.0
   48    70    44    40   4.00000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   60    53    52    48   1.10000 -1.0 2.0
   67    61    60    52   1.10000 -1.0 2.0
   70    68    67    60   1.10000 -1.0 2.0
   67    76    70    44   4.00000 -1.0 2.0
   70    78    76    77  10.50000 -1.0 2.0
   83    91    82    79   4.00000 -1.0 2.0
   85    84    83    82   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   89    92    91    82   1.10000 -1.0 2.0
END
