* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    163    237     473
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065   104.82841   -32.80482
    3     1 S   H    _H1_     3     1.02082    67.45155    71.64634
    4     1 S   H    _H2_     4     1.02084    45.37745  -134.56879
    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     1.08519   110.56213    58.83396
   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   _C13    36     1.84331    97.47714  -158.11959
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.51490   107.82196   159.98298
   38    33 S   OH   _O25    90     1.43003   110.83166    42.24250
   39    38 S   HO   _H56    91     0.96858   106.20741    57.72316
   40    37 S   CMA  _C6_    38     1.35724   125.42441   107.12599
   41    40 S   OM   _O22    39     1.26731   130.32933   179.58551
   42    37 S   CO4  _C10    75     1.48416   116.63631   -73.53620
   43    42 S   O    _O23    76     1.22418   119.42844    92.39566
   44    40 S   CT   _C14    40     1.55581   118.28879    -1.04717
   45    42 S   CT   _C23    77     1.51379   116.37098   -89.40403
   46    45 S   HC   _H52    78     1.09662   109.49770    90.01257
   47    45 S   HC   _H53    79     1.09780   106.64568   -26.45856
   48    44 S   CM   _C7_    41     1.52062   114.13317    15.28652
   49    44 S   CT   _C22    59     1.54500   111.05755  -107.26462
   50    49 S   HC   _H50    60     1.08070   106.68811  -160.02442
   51    49 S   HC   _H51    61     1.08338   106.14678   -45.87585
   52    44 S   OH   _O26    73     1.44055   109.66565   133.45498
   53    52 S   HO   _H57    74     0.96533   105.63968    59.99842
   54    45 S   CT   _C24    80     1.53692   113.03331  -147.31159
   55    54 S   HC   _H54    81     1.09690   109.49375   -58.38511
   56    33 S   CM   _C5_    42     1.51787   108.87687   -76.06083
   57    48 S   OH   _O24    57     1.38724   115.68476   164.15092
   58    57 S   HO   _H55    58     0.96038   109.38040     0.38664
   59    49 S   CM   _C9_    62     1.48440   112.75346    74.50321
   60    59 S   HC   _H29    63     1.08968   114.50247   -61.79607
   61    54 S   CT   _C19    82     1.53014   110.05253    59.98690
   62    61 S   HC   _H42    83     1.09579   111.26486    60.60532
   63    61 S   HC   _H43    84     1.09425   110.83740  -179.09539
   64    61 S   HC   _H44    85     1.09531   110.77849   -59.59726
   65    54 S   CT   _C20    86     1.53109   111.42845  -178.03577
   66    65 S   HC   _H45    87     1.09420   111.36608   -59.56396
   67    65 S   HC   _H46    88     1.09484   111.26884   179.85598
   68    65 S   HC   _H47    89     1.09579   110.61403    59.90062
   69    56 S   CT   _C21    43     1.51332   117.36809    75.14090
   70    69 S   HC   _H48    44     1.08667   108.11468  -121.52697
   71    69 S   HC   _H49    45     1.08931   107.69180    -6.34112
   72    59 S   CM   _C12    64     1.34611   127.24563   121.63125
   73    69 S   CM   _C8_    46     1.49285   111.29134   113.52259
   74    73 S   HC   _H28    47     1.08929   114.46380   -60.04126
   75    72 S   CT   _C17    65     1.50287   125.01901  -180.00000
   76    75 S   HC   _H36    66     1.09499   110.11945    89.95689
   77    75 S   HC   _H37    67     1.09520   110.09663  -150.71312
   78    75 S   HC   _H38    68     1.09242   113.44322   -31.13958
   79    72 S   CT   _C18    69     1.50545   120.49470     0.57980
   80    79 S   HC   _H39    70     1.09441   112.37595    90.01861
   81    79 S   HC   _H40    71     1.09505   110.29123  -149.81993
   82    79 S   HC   _H41    72     1.09500   110.19097   -30.02878
   83    73 S   CM   _C11    48     1.34752   127.58546   122.05468
   84    83 S   CT   _C15    49     1.50257   125.15331   179.97202
   85    84 S   HC   _H30    50     1.09500   110.10523    90.04153
   86    84 S   HC   _H31    51     1.09179   113.56736   -31.10947
   87    84 S   HC   _H32    52     1.09523   110.04278  -150.74727
   88    83 S   CT   _C16    53     1.50591   120.43738     0.46478
   89    88 S   HC   _H33    54     1.09541   112.38950    90.00725
   90    88 S   HC   _H34    55     1.09480   110.23588  -149.83192
   91    88 S   HC   _H35    56     1.09512   110.18764   -29.97965
  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
  16   2   1   1  16   6   1  14   5  10   4  13  12   5   4  13
  11   5   4   4   1   9   8   8   2   1  10   3   7   3   2   1
   3   2   1   1   7   4   3   8  10   3   7   3   2   1   3   2
   1   1   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    56    69    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    48    56    69    70    71    73    57    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    48    56    69    49    52    42    43    45    46    47    54    38    39  
   39    40    42    48    56    69  
   56  
   41    44    48    56    57    49    50    51    59    52    53    42    43    45  
   44    48    49    52    42  
   43    45    46    47    54    55    61    65    44    56  
   45    46    47    54  
   48    56    69    57    58    49    50    51    59    60    72    52    53  
   46    47    54    55    61    62    63    64    65    66    67    68  
   47    54    55    61    65  
   54    55    61    65  
   56    69    70    71    73    57    58    49    50    51    59    52    53  
   50    51    59    60    72    75    79    52    53    56    57  
   51    59    60    72    52  
   59    60    72    52  
   53    56    57    59  
    0  
   55    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   69    70    71    73    74    83    57    58  
   58    69  
    0  
   60    72    75    76    77    78    79    80    81    82  
   72    75    79  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    73    74    83    84    88  
   71    73    74    83  
   73    74    83  
   75    76    77    78    79    80    81    82  
   74    83    84    85    86    87    88    89    90    91  
   83    84    88  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   317.000  1.510
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    48   317.000  1.510
   44    49   268.000  1.529
   44    52   320.000  1.410
   48    56   549.000  1.340
   48    57   510.000  1.338
   56    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   317.000  1.510
   73    74   340.000  1.080
   73    83   549.000  1.340
   83    84   317.000  1.510
   83    88   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   57    58   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   317.000  1.510
   59    60   340.000  1.080
   59    72   549.000  1.340
   72    75   317.000  1.510
   72    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   52    53   553.000  0.945
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   38    39   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  112.20000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    56    48    70.00000  124.00000
   33    56    69    65.00000  117.92700
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   37    42    43    80.00000  123.72100
   37    42    45    65.00000  118.62400
   40    44    48    70.00000  110.12100
   40    44    49    70.00000  112.02700
   40    44    52    90.00000  110.39200
   44    40    41    85.00000  112.85300
   44    48    56    70.00000  124.00000
   44    48    57    90.00000  109.34000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    59    70.00000  112.02700
   44    52    53    55.00000  108.50000
   48    56    69    70.00000  124.00000
   48    57    58    70.00000  107.45700
   56    33    37    70.00000  110.12100
   56    69    70    35.00000  109.50000
   56    69    71    35.00000  109.50000
   56    69    73    70.00000  110.12100
   69    73    74    35.00000  117.00000
   69    73    83    70.00000  124.00000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   73    83    84    70.00000  124.00000
   73    83    88    70.00000  124.00000
   83    73    74    35.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    83    84    65.00000  117.92700
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   57    48    56    80.00000  121.38400
   49    44    48    70.00000  112.02700
   49    59    60    35.00000  117.00000
   49    59    72    70.00000  124.00000
   51    49    50    33.00000  107.80000
   59    49    50    35.00000  109.50000
   59    49    51    35.00000  109.50000
   59    72    75    70.00000  124.00000
   59    72    79    70.00000  124.00000
   72    59    60    35.00000  120.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   52    44    48    90.00000  110.39200
   52    44    49    50.00000  109.50000
   42    37    40    60.00000  125.92000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    54    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    54    55    37.50000  110.70000
   45    54    61    58.35000  112.70000
   45    54    65    58.35000  112.70000
   47    45    46    33.00000  107.80000
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   61    54    55    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    56    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   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    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    56    48   0.42700  1.0 1.0
   29    33    56    48  -0.70350 -1.0 2.0
   29    33    56    48  -0.43150  1.0 3.0
   29    33    56    69   0.30250  1.0 1.0
   29    33    56    69  -0.14950 -1.0 2.0
   29    33    56    69   0.36900  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    45   0.25700  1.0 1.0
   33    37    42    45   0.66200 -1.0 2.0
   33    37    42    45   0.04450  1.0 3.0
   33    56    69    70   0.34800  1.0 3.0
   33    56    69    71   0.34800  1.0 3.0
   33    56    69    73   0.09700  1.0 1.0
   33    56    69    73   0.15600 -1.0 2.0
   33    56    69    73  -0.50800  1.0 3.0
   37    33    56    48  -0.28300  1.0 1.0
   37    33    56    48   0.26700 -1.0 2.0
   37    33    56    48  -0.63300  1.0 3.0
   37    33    56    69   0.09700  1.0 1.0
   37    33    56    69   0.15600 -1.0 2.0
   37    33    56    69  -0.50800  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    48  -0.28300  1.0 1.0
   37    40   -44    48   0.26700 -1.0 2.0
   37    40   -44    48  -0.63300  1.0 3.0
   37    40    44    49   0.09850  1.0 1.0
   37    40    44    49   0.15250 -1.0 2.0
   37    40    44    49  -0.50650  1.0 3.0
   37    40    44    52   0.67800  1.0 1.0
   37    40    44    52   0.47050 -1.0 2.0
   37    40    44    52  -0.62500  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    47   0.00000  1.0 1.0
   37    42    45    54   0.65300  1.0 1.0
   37    42    45    54  -0.03850 -1.0 2.0
   37    42    45    54   0.33900  1.0 3.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    45  -0.33500  1.0 1.0
   40    37    42    45   1.06600 -1.0 2.0
   40    37    42    45  -0.14000  1.0 3.0
   40    44    48    56  -0.28300  1.0 1.0
   40    44    48    56   0.26700 -1.0 2.0
   40    44    48    56  -0.63300  1.0 3.0
   40    44    48    57   0.09700  1.0 1.0
   40    44    48    57   0.15600 -1.0 2.0
   40    44    48    57  -0.50800  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    59   0.31000  1.0 1.0
   40    44    49    59   0.14700 -1.0 2.0
   40    44    49    59   0.07550  1.0 3.0
   40    44    52    53  -0.07800  1.0 1.0
   40    44    52    53  -0.21500 -1.0 2.0
   40    44    52    53  -0.03150  1.0 3.0
   41    40    44    48   0.09700  1.0 1.0
   41    40    44    48   0.15600 -1.0 2.0
   41    40    44    48  -0.50800  1.0 3.0
   41    40    44    49   0.09700  1.0 1.0
   41    40    44    49   0.15600 -1.0 2.0
   41    40    44    49  -0.50800  1.0 3.0
   41    40    44    52   0.09700  1.0 1.0
   41    40    44    52   0.15600 -1.0 2.0
   41    40    44    52  -0.50800  1.0 3.0
   44    48   -56    33   7.00000 -1.0 2.0
   44    48    56    69   7.00000 -1.0 2.0
   44    48    57    58   2.00000 -1.0 2.0
   44    49    59    60   0.00000  1.0 1.0
   44    49    59    72   0.09850  1.0 1.0
   44    49    59    72   0.15250 -1.0 2.0
   44    49    59    72  -0.50650  1.0 3.0
   48    44    49    50   0.15000  1.0 3.0
   48    44    49    51   0.15000  1.0 3.0
   48    44    49    59   0.31000  1.0 1.0
   48    44    49    59   0.14700 -1.0 2.0
   48    44    49    59   0.07550  1.0 3.0
   48    44    52    53  -0.07800  1.0 1.0
   48    44    52    53  -0.21500 -1.0 2.0
   48    44    52    53  -0.03150  1.0 3.0
   48    56    69    70   0.00000  1.0 1.0
   48    56    69    71   0.00000  1.0 1.0
   48    56    69    73  -0.28300  1.0 1.0
   48    56    69    73   0.26700 -1.0 2.0
   48    56    69    73  -0.63300  1.0 3.0
   56    33   -37    40  -0.28300  1.0 1.0
   56    33   -37    40   0.26700 -1.0 2.0
   56    33   -37    40  -0.63300  1.0 3.0
   56    33    37    42   0.09700  1.0 1.0
   56    33    37    42   0.15600 -1.0 2.0
   56    33    37    42  -0.50800  1.0 3.0
   56    33    38    39  -0.07800  1.0 1.0
   56    33    38    39  -0.21500 -1.0 2.0
   56    33    38    39  -0.03150  1.0 3.0
   56    48    57    58  -0.66100  1.0 1.0
   56    48    57    58   1.20850 -1.0 2.0
   56    48    57    58  -0.36000  1.0 3.0
   56    69    73    74   0.00000  1.0 1.0
   56    69    73    83  -0.28300  1.0 1.0
   56    69    73    83   0.26700 -1.0 2.0
   56    69    73    83  -0.63300  1.0 3.0
   69    73    83    84   7.00000 -1.0 2.0
   69    73    83    88   7.00000 -1.0 2.0
   70    69    73    74   0.33100  1.0 3.0
   70    69    73    83   0.00000  1.0 1.0
   71    69    73    74   0.33100  1.0 3.0
   71    69    73    83   0.00000  1.0 1.0
   73    83    84    85   0.00000  1.0 1.0
   73    83    84    86   0.00000  1.0 1.0
   73    83    84    87   0.00000  1.0 1.0
   73    83    88    89   0.00000  1.0 1.0
   73    83    88    90   0.00000  1.0 1.0
   73    83    88    91   0.00000  1.0 1.0
   74    73    83    84   7.00000 -1.0 2.0
   74    73    83    88   7.00000 -1.0 2.0
   84    83    88    89   0.34800  1.0 3.0
   84    83    88    90   0.34800  1.0 3.0
   84    83    88    91   0.34800  1.0 3.0
   88    83    84    85   0.34800  1.0 3.0
   88    83    84    86   0.34800  1.0 3.0
   88    83    84    87   0.34800  1.0 3.0
   57    48    56    33   7.00000 -1.0 2.0
   57    48    56    69   7.00000 -1.0 2.0
   49    44    48    56   0.09850  1.0 1.0
   49    44    48    56   0.15250 -1.0 2.0
   49    44    48    56  -0.50650  1.0 3.0
   49    44    48    57   0.09700  1.0 1.0
   49    44    48    57   0.15600 -1.0 2.0
   49    44    48    57  -0.50800  1.0 3.0
   49    44    52    53  -0.11600  1.0 1.0
   49    44    52    53  -0.09450 -1.0 2.0
   49    44    52    53   0.21250  1.0 3.0
   49    59    72    75   7.00000 -1.0 2.0
   49    59    72    79   7.00000 -1.0 2.0
   50    49    59    60   0.33100  1.0 3.0
   50    49    59    72   0.00000  1.0 1.0
   51    49    59    60   0.33100  1.0 3.0
   51    49    59    72   0.00000  1.0 1.0
   59    72    75    76   0.00000  1.0 1.0
   59    72    75    77   0.00000  1.0 1.0
   59    72    75    78   0.00000  1.0 1.0
   59    72    79    80   0.00000  1.0 1.0
   59    72    79    81   0.00000  1.0 1.0
   59    72    79    82   0.00000  1.0 1.0
   60    59    72    75   7.00000 -1.0 2.0
   60    59    72    79   7.00000 -1.0 2.0
   75    72    79    80   0.34800  1.0 3.0
   75    72    79    81   0.34800  1.0 3.0
   75    72    79    82   0.34800  1.0 3.0
   79    72    75    76   0.34800  1.0 3.0
   79    72    75    77   0.34800  1.0 3.0
   79    72    75    78   0.34800  1.0 3.0
   52    44    48    56   0.67800  1.0 1.0
   52    44    48    56   0.47050 -1.0 2.0
   52    44    48    56  -0.62500  1.0 3.0
   52    44    48    57   0.09700  1.0 1.0
   52    44    48    57   0.15600 -1.0 2.0
   52    44    48    57  -0.50800  1.0 3.0
   52    44    49    50   0.23400  1.0 3.0
   52    44    49    51   0.23400  1.0 3.0
   52    44    49    59   1.05650  1.0 1.0
   52    44    49    59   0.15600 -1.0 2.0
   52    44    49    59   0.53150  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   42    45    54    55  -0.11250  1.0 3.0
   42    45    54    61  -0.95700  1.0 1.0
   42    45    54    61  -0.18200 -1.0 2.0
   42    45    54    61   0.29450  1.0 3.0
   42    45    54    65  -0.95700  1.0 1.0
   42    45    54    65  -0.18200 -1.0 2.0
   42    45    54    65   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    54   0.30150 -1.0 2.0
   45    54    61    62   0.15000  1.0 3.0
   45    54    61    63   0.15000  1.0 3.0
   45    54    61    64   0.15000  1.0 3.0
   45    54    65    66   0.15000  1.0 3.0
   45    54    65    67   0.15000  1.0 3.0
   45    54    65    68   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    61   0.15000  1.0 3.0
   46    45    54    65   0.15000  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    61   0.15000  1.0 3.0
   47    45    54    65   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   61    54    65    66   0.15000  1.0 3.0
   61    54    65    67   0.15000  1.0 3.0
   61    54    65    68   0.15000  1.0 3.0
   65    54    61    62   0.15000  1.0 3.0
   65    54    61    63   0.15000  1.0 3.0
   65    54    61    64   0.15000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    56    48   0.67800  1.0 1.0
   38    33    56    48   0.47050 -1.0 2.0
   38    33    56    48  -0.62500  1.0 3.0
   38    33    56    69   0.18000  1.0 1.0
   38    33    56    69   0.16450 -1.0 2.0
   38    33    56    69   0.04450  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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   44    57    48    56   1.10000 -1.0 2.0
   33    69    56    48   1.10000 -1.0 2.0
   69    74    73    83  15.00000 -1.0 2.0
   84    88    83    73  15.00000 -1.0 2.0
   49    60    59    72  15.00000 -1.0 2.0
   75    79    72    59  15.00000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
END
