* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    159    239     440
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02040   103.79062     8.69658
    3     1 S   H    _H1_     3     1.02076    42.95267   111.50110
    4     1 S   H    _H2_     4     1.02100    70.31855   -96.48989
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   C4T  _C16    36     1.80543    98.16150   161.78140
   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   S    _S35    37     1.82486   116.63511    48.82910
   38    33 S   S    _S36    40     1.82520   116.69834   151.12526
   39    33 S   CT   _C20    78     1.50435   111.09102   -80.01695
   40    39 S   HC   _H50    79     1.10450   109.15635    48.26197
   41    37 S   C4T  _C13    38     1.82507    80.22856    83.85515
   42    41 S   HC   _H40    39     1.09335   115.75349   -82.44477
   43    39 S   C    _C10    80     1.52951   110.18609   -69.93042
   44    43 S   O    _O30    81     1.22831   123.40735   -90.93042
   45    39 S   CO3  _C11    85     1.54782   114.43060   166.80264
   46    45 S   O2Z  _O26    86     1.26291   115.77044  -120.32686
   47    45 S   O2Z  _O33    87     1.26569   115.00357    59.78103
   48    41 S   C    _C9_    41     1.52978   111.21287   147.35879
   49    48 S   O    _O29    42     1.22576   119.57478   -48.16235
   50    43 S   N    _N23    82     1.37787   113.00956    87.61741
   51    50 S   H    _H51    83     1.01438   120.93475     0.05595
   52    50 S   H    _H52    84     1.01502   122.41053   180.00000
   53    48 S   N    _N24    43     1.38229   113.99534   131.82138
   54    53 S   H    _H53    44     1.01548   118.45522    -0.00000
   55    53 S   C4T  _C15    45     1.44534   123.12028   179.91377
   56    55 S   C4   _C7_    46     1.55513   112.21558   -59.94579
   57    56 S   O    _O27    47     1.20869   136.49726    72.44616
   58    55 S   C4T  _C14    55     1.54472   112.34993  -154.21116
   59    58 S   HC   _H41    56     1.09714   114.94127  -142.69875
   60    55 S   OS   _O34    73     1.44218   113.55126    68.28405
   61    56 S   N4   _N22    48     1.35078    89.59064  -103.39288
   62    60 S   CT   _C18    74     1.41347   110.78072    71.65343
   63    62 S   HC   _H45    75     1.09245   109.52632  -179.97202
   64    62 S   HC   _H46    76     1.09262   109.51794    59.23101
   65    62 S   HC   _H47    77     1.09320   108.97108   -60.39717
   66    61 S   CM   _C5_    49     1.35782   139.09373   170.25529
   67    66 S   CM   _C6_    50     1.35474   121.49585  -165.05811
   68    66 S   CO3  _C8_    70     1.52459   118.50932    11.64630
   69    68 S   O2Z  _O25    71     1.25860   114.67653    93.23700
   70    68 S   O2Z  _O28    72     1.25861   114.67545   -86.76142
   71    67 S   CT   _C12    51     1.52679   123.35081     4.55900
   72    71 S   HC   _H38    52     1.09523   109.60043   138.26507
   73    71 S   HC   _H39    53     1.09513   109.46878  -103.60762
   74    67 S   CT   _C19    57     1.50879   124.37174  -176.24720
   75    74 S   HC   _H48    58     1.08501   108.83353   149.95331
   76    74 S   HC   _H49    59     1.08649   108.94646    30.96038
   77    71 S   S    _S34    54     1.82496   114.48181    19.09893
   78    74 S   S    _S37    60     1.80085   109.34797   -89.64721
   79    78 S   CRA  _C4_    61     1.76972   100.30804   179.98022
   80    79 S   N5B  _N18    62     1.31312   127.60822    -0.02798
   81    80 S   N5B  _N19    63     1.37654   105.60948  -179.96044
   82    81 S   N5A  _N20    64     1.32750   111.07029    -0.00000
   83    79 S   NA   _N21    65     1.35840   123.84346  -179.98022
   84    83 S   CT   _C17    66     1.44108   129.86499    -0.10835
   85    84 S   HC   _H42    67     1.09383   107.93139    90.08960
   86    84 S   HC   _H43    68     1.09381   109.45966  -149.71548
   87    84 S   HC   _H44    69     1.09346   109.33259   -30.18162
  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
  13   2   1   1  10   9  10   6   6   3   7   4   3   1   1   7
   3   2   1   1  10   4  13  10   4  11   5   6   8   3   2   1
   1  12  12   4   1   1   7   3   2   7   3   2   1   6   8   4
   3   5   4   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    38    39    40    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    38    48    39    40    43    44    50    45    46    47  
   35    36  
   36  
    0  
   41    42    38    48    49    53    39    40    43    45  
   48    49    53    39    40    43    45    41    42  
   40    43    44    50    51    52    45    46    47    41  
   43    44    50    45    46    47  
   42    48    49    53    54    55  
   48    49    53  
   44    50    51    52    45    46    47  
   50    51    52    45  
   46    47    50  
   47  
    0  
   49    53    54    55    56    58    60  
   53    54    55  
   51    52  
   52  
    0  
   54    55    56    57    61    77    58    59    60    62  
   55    56    58    60  
   56    57    61    66    71    77    58    59    60    62    63    64    65  
   57    61    66    67    77    58    59    68    60    62  
   61    66    58    60  
   59    68    60    62    61    66    67    71    72    73    77  
   60    61    66    71    77  
   62    63    64    65    61    77  
   66    67    71    77    74    68    69    70  
   63    64    65  
   64    65  
   65  
    0  
   67    71    72    73    77    74    75    76    78    68    69    70  
   71    72    73    77    74    75    76    78    79    68    69    70  
   69    70    71    74  
   70  
    0  
   72    73    77    74    75    76    78  
   73    77    74  
   77    74  
   75    76    78    79    80    83    77  
   76    78    79  
   78    79  
    0  
   79    80    81    82    83    84  
   80    81    82    83    84    85    86    87  
   81    82    83    84  
   82    83    84  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.324000   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   0.410700   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   3.6000   0.3550  -0.313000   2.0300   1.8000   0.025682759  -1.666211680
   38   3.6000   0.3550  -0.313000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.5000   0.0660  -0.101200   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.253000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660   0.047500   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   0.047500   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   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   78   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   79   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   80   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   81   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   82   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   83   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   84   3.5000   0.0660  -0.057500   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
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   200.000  1.824
   33    37   200.000  1.824
   33    38   200.000  1.824
   33    39   260.000  1.519
   37    41   200.000  1.824
   41    42   340.000  1.090
   41    38   200.000  1.824
   41    48   317.000  1.522
   48    49   570.000  1.229
   48    53   490.000  1.335
   53    54   434.000  1.010
   53    55   337.000  1.449
   55    56   250.000  1.540
   55    58   268.000  1.529
   55    60   320.000  1.410
   56    57   930.000  1.212
   56    61   440.000  1.369
   61    66   400.000  1.384
   61    58   305.000  1.456
   66    67   549.000  1.340
   66    68   230.000  1.545
   67    71   317.000  1.510
   67    74   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   222.000  1.810
   77    58   200.000  1.824
   58    59   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   222.000  1.810
   78    79   245.000  1.755
   79    80   488.000  1.335
   79    83   477.000  1.343
   80    81   290.000  1.379
   81    82   420.000  1.291
   82    83   400.000  1.349
   83    84   320.000  1.443
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   68    69   656.000  1.250
   68    70   656.000  1.250
   60    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    45   317.000  1.522
   43    44   570.000  1.229
   43    50   490.000  1.335
   50    51   434.000  1.010
   50    52   434.000  1.010
   45    46   656.000  1.250
   45    47   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    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    85.00000   99.86700
   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  118.28000
   29    33    38    75.00000  118.28000
   29    33    39    75.00000  111.63000
   33    37    41    60.00000   90.00000
   33    38    41    60.00000   90.00000
   33    39    40    45.00000  111.22300
   33    39    43    63.00000  111.10000
   33    39    45    70.00000  109.69300
   37    41    42    45.00000  109.41400
   37    41    38    65.00000   91.00000
   37    41    48    70.00000  112.33000
   41    48    49    80.00000  120.40000
   41    48    53    70.00000  116.60000
   38    33    37    65.00000   91.00000
   38    41    42    45.00000  109.41400
   48    41    42    35.00000  109.50000
   48    41    38    70.00000  112.33000
   48    53    54    35.00000  119.80000
   48    53    55    50.00000  121.90000
   53    48    49    80.00000  122.90000
   53    55    56    75.00000  110.24000
   53    55    58    80.00000  110.05700
   53    55    60    95.00000  111.00000
   55    53    54    38.00000  118.40000
   55    56    57    60.00000  136.58000
   55    56    61    95.00000   92.72400
   55    58    61   105.00000   87.49700
   55    58    77    65.00000  119.05700
   55    58    59    37.50000  110.70000
   55    60    62    60.00000  109.50000
   56    61    66    50.00000  132.10000
   56    61    58   100.00000   93.00000
   61    56    57    75.00000  131.60000
   61    66    67    75.00000  120.83300
   61    66    68    80.00000  114.48000
   61    58    77    80.00000  108.62000
   61    58    59    50.00000  112.01000
   66    67    71    70.00000  124.00000
   66    67    74    70.00000  124.00000
   66    68    69    85.00000  113.83300
   66    68    70    85.00000  113.83300
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    77    75.00000  112.20000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    78    75.00000  112.20000
   71    77    58    85.00000   99.86700
   73    71    72    33.00000  107.80000
   77    71    72    35.00000  109.50000
   77    71    73    35.00000  109.50000
   77    58    59    45.00000  109.41400
   58    55    56   100.00000   86.36000
   58    61    66    50.00000  132.70000
   74    67    71    65.00000  117.92700
   74    78    79    85.00000   97.05500
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    79    80    70.00000  126.12900
   78    79    83    70.00000  123.45500
   79    80    81   100.00000  108.10500
   79    83    82    95.00000  110.06400
   79    83    84    60.00000  127.66100
   80    81    82   100.00000  111.97400
   81    82    83   110.00000  106.81600
   82    83    84    75.00000  118.68000
   83    79    80    70.00000  120.00000
   83    84    85    50.00000  108.61900
   83    84    86    50.00000  108.61900
   83    84    87    50.00000  108.61900
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   68    66    67    55.00000  124.75400
   70    68    69    80.00000  126.00000
   60    55    56    90.00000  108.55600
   60    55    58    50.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   39    33    37    75.00000  111.63000
   39    33    38    75.00000  111.63000
   39    43    44    80.00000  120.40000
   39    43    50    70.00000  116.60000
   39    45    46    70.00000  117.00000
   39    45    47    70.00000  117.00000
   43    39    40    35.00000  109.50000
   43    50    51    35.00000  119.80000
   43    50    52    35.00000  119.80000
   50    43    44    80.00000  122.90000
   52    50    51    35.00000  120.00000
   45    39    40    35.00000  109.50000
   45    39    43    75.00000  103.47400
   47    45    46    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  -0.25000 -1.0 2.0
   20    24    29    33  -0.01800  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   0.08500  1.0 1.0
   24    29    33    37  -0.53150 -1.0 2.0
   24    29    33    37   0.48050  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  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    37    41   0.08500  1.0 1.0
   29    33    37    41  -0.53150 -1.0 2.0
   29    33    37    41   0.48050  1.0 3.0
   29    33   -38    41   0.08500  1.0 1.0
   29    33   -38    41  -0.53150 -1.0 2.0
   29    33   -38    41   0.48050  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    42   0.00000  1.0 1.0
   33    37   -41    38   0.00000  1.0 1.0
   33    37    41    48   0.01700  1.0 1.0
   33    37    41    48  -0.23550 -1.0 2.0
   33    37    41    48   0.21350  1.0 3.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    50   1.39750  1.0 1.0
   33    39    43    50  -0.07950 -1.0 2.0
   33    39    43    50  -0.18750  1.0 3.0
   33    39    45    46   0.41150 -1.0 2.0
   33    39    45    47   0.41150 -1.0 2.0
   37    33   -38    41   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.56750  1.0 1.0
   37    33    39    43  -0.07550 -1.0 2.0
   37    33    39    43   0.20000  1.0 3.0
   37    33    39    45   0.56750  1.0 1.0
   37    33    39    45  -0.07550 -1.0 2.0
   37    33    39    45   0.20000  1.0 3.0
   37    41   -38    33   0.00000  1.0 1.0
   37    41    48    49   0.30150 -1.0 2.0
   37    41    48    53   0.00000  1.0 1.0
   41    48    53    54   2.45000 -1.0 2.0
   41    48    53    55   1.49850  1.0 1.0
   41    48    53    55   1.53950 -1.0 2.0
   42    41   -38    33   0.00000  1.0 1.0
   42    41    48    49   0.00000  1.0 1.0
   42    41    48    53   0.00000  1.0 1.0
   38    33   -37    41   0.00000  1.0 1.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45   0.56750  1.0 1.0
   38    33    39    45  -0.07550 -1.0 2.0
   38    33    39    45   0.20000  1.0 3.0
   38    41    48    49   0.30150 -1.0 2.0
   38    41    48    53   0.00000  1.0 1.0
   48    41   -38    33   0.01700  1.0 1.0
   48    41   -38    33  -0.23550 -1.0 2.0
   48    41   -38    33   0.21350  1.0 3.0
   48    53    55    56  -0.42300  1.0 1.0
   48    53    55    56  -0.07000 -1.0 2.0
   48    53    55    56   0.04150  1.0 3.0
   48    53    55    58  -0.43950  1.0 1.0
   48    53    55    58  -0.08100 -1.0 2.0
   48    53    55    58   0.03350  1.0 3.0
   48    53    55    60  -2.75650  1.0 1.0
   48    53    55    60  -1.18150 -1.0 2.0
   48    53    55    60   0.81900  1.0 3.0
   49    48    53    54   2.45000 -1.0 2.0
   49    48    53    55   3.04450 -1.0 2.0
   53    55    56    57   0.30150 -1.0 2.0
   53    55    56    61   0.00000  1.0 1.0
   53    55   -58    61   2.20050  1.0 1.0
   53    55   -58    61   0.63450 -1.0 2.0
   53    55   -58    61  -0.91300  1.0 3.0
   53    55    58    77   0.00000  1.0 1.0
   53    55    58    59   0.15000  1.0 3.0
   53    55    60    62  -2.37750  1.0 1.0
   53    55    60    62  -0.08150 -1.0 2.0
   53    55    60    62   0.59000  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    58   0.00000  1.0 1.0
   54    53    55    60   0.00000  1.0 1.0
   55    56    61    66   3.00000 -1.0 2.0
   55    56   -61    58   3.00000 -1.0 2.0
   55    60    62    63   0.37050  1.0 3.0
   55    60    62    64   0.37050  1.0 3.0
   55    60    62    65   0.37050  1.0 3.0
   56    55   -58    61   3.00000 -1.0 2.0
   56    55    58    77   0.00000  1.0 1.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    60    62  -1.11000  1.0 1.0
   56    55    60    62   0.50250 -1.0 2.0
   56    55    60    62   0.47450  1.0 3.0
   56    61    66    67   0.00000  1.0 1.0
   56    61    66    68   0.00000  1.0 1.0
   56    61   -58    55   0.00000  1.0 1.0
   56    61   -58    77   0.00000  1.0 1.0
   56    61   -58    59   0.00000  1.0 1.0
   57    56    61    66   3.00000 -1.0 2.0
   57    56    61    58   3.00000 -1.0 2.0
   61    66    67    71   7.00000 -1.0 2.0
   61    66    67    74   7.00000 -1.0 2.0
   61    66    68    69   1.91650 -1.0 2.0
   61    66    68    70   1.91650 -1.0 2.0
   66    61   -58    55   0.00000  1.0 1.0
   66    61    58    77   0.00000  1.0 1.0
   66    61    58    59   0.00000  1.0 1.0
   66    67    71    72   0.00000  1.0 1.0
   66    67    71    73   0.00000  1.0 1.0
   66    67   -71    77   0.42700  1.0 1.0
   66    67   -71    77  -0.70350 -1.0 2.0
   66    67   -71    77  -0.43150  1.0 3.0
   66    67    74    75   0.00000  1.0 1.0
   66    67    74    76   0.00000  1.0 1.0
   66    67    74    78   0.42700  1.0 1.0
   66    67    74    78  -0.70350 -1.0 2.0
   66    67    74    78  -0.43150  1.0 3.0
   67    66    68    69  -0.04000 -1.0 2.0
   67    66    68    69  -0.29050  1.0 3.0
   67    66    68    70  -0.04000 -1.0 2.0
   67    66    68    70  -0.29050  1.0 3.0
   67    71    77    58  -0.70200  1.0 1.0
   67    71    77    58  -0.14350 -1.0 2.0
   67    71    77    58   0.55200  1.0 3.0
   67    74    78    79   0.00000  1.0 1.0
   71    67    74    75   0.34800  1.0 3.0
   71    67    74    76   0.34800  1.0 3.0
   71    67    74    78   0.30250  1.0 1.0
   71    67    74    78  -0.14950 -1.0 2.0
   71    67    74    78   0.36900  1.0 3.0
   71    77    58    55   0.25150  1.0 1.0
   71    77    58    55  -1.17200 -1.0 2.0
   71    77    58    55   0.53050  1.0 3.0
   71    77   -58    61   0.01700  1.0 1.0
   71    77   -58    61  -0.23550 -1.0 2.0
   71    77   -58    61   0.21350  1.0 3.0
   71    77    58    59   0.00000  1.0 1.0
   72    71    77    58   0.32350  1.0 3.0
   73    71    77    58   0.32350  1.0 3.0
   58    55   -56    57  -0.11250  1.0 1.0
   58    55   -56    57   0.11400 -1.0 2.0
   58    55   -56    57  -0.28950  1.0 3.0
   58    55   -56    61   3.00000 -1.0 2.0
   58    55    60    62   0.06250  1.0 1.0
   58    55    60    62  -0.01100 -1.0 2.0
   58    55    60    62   0.28050  1.0 3.0
   58    61   -66    67   0.00000  1.0 1.0
   58    61    66    68   0.00000  1.0 1.0
   74    67    71    72   0.34800  1.0 3.0
   74    67    71    73   0.34800  1.0 3.0
   74    67    71    77   0.30250  1.0 1.0
   74    67    71    77  -0.14950 -1.0 2.0
   74    67    71    77   0.36900  1.0 3.0
   74    78    79    80   0.63150 -1.0 2.0
   74    78    79    83   0.63150 -1.0 2.0
   75    74    78    79   0.24000  1.0 3.0
   76    74    78    79   0.24000  1.0 3.0
   78    79    80    81   3.62500 -1.0 2.0
   78    79    83    82   3.62500 -1.0 2.0
   78    79    83    84   3.62500 -1.0 2.0
   79    80   -81    82   3.62500 -1.0 2.0
   79    83    84    85   0.00000  1.0 1.0
   79    83    84    86   0.00000  1.0 1.0
   79    83    84    87   0.00000  1.0 1.0
   80    79   -83    82   3.62500 -1.0 2.0
   80    79    83    84   3.62500 -1.0 2.0
   80    81   -82    83   3.62500 -1.0 2.0
   81    82   -83    79   3.62500 -1.0 2.0
   81    82    83    84   3.62500 -1.0 2.0
   82    83    84    85   0.00000  1.0 1.0
   82    83    84    86   0.00000  1.0 1.0
   82    83    84    87   0.00000  1.0 1.0
   83    79   -80    81   3.62500 -1.0 2.0
   68    66    67    71   7.00000 -1.0 2.0
   68    66    67    74   7.00000 -1.0 2.0
   60    55    56    57   0.30150 -1.0 2.0
   60    55    56    61   0.00000  1.0 1.0
   60    55   -58    61   1.12100  1.0 1.0
   60    55   -58    61  -0.16500 -1.0 2.0
   60    55    58    77   0.00000  1.0 1.0
   60    55    58    59   0.15000  1.0 3.0
   39    33    37    41  -0.25000 -1.0 2.0
   39    33    37    41  -0.01800  1.0 3.0
   39    33   -38    41  -0.25000 -1.0 2.0
   39    33   -38    41  -0.01800  1.0 3.0
   39    43    50    51   2.45000 -1.0 2.0
   39    43    50    52   2.45000 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    50   0.00000  1.0 1.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.00000  1.0 1.0
   43    39    45    46   0.30150 -1.0 2.0
   43    39    45    47   0.30150 -1.0 2.0
   44    43    50    51   2.45000 -1.0 2.0
   44    43    50    52   2.45000 -1.0 2.0
   45    39    43    44   0.30150 -1.0 2.0
   45    39    43    50   0.00000  1.0 1.0
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
   41    53    48    49  10.50000 -1.0 2.0
   54    48    53    55   1.00000 -1.0 2.0
   55    61    56    57  10.50000 -1.0 2.0
   58    56    61    66   1.00000 -1.0 2.0
   61    68    66    67   1.10000 -1.0 2.0
   71    74    67    66   1.10000 -1.0 2.0
   80    83    79    78   4.00000 -1.0 2.0
   82    84    83    79   4.00000 -1.0 2.0
   69    66    68    70  10.50000 -1.0 2.0
   39    50    43    44  10.50000 -1.0 2.0
   52    43    50    51   1.00000 -1.0 2.0
   46    39    45    47  10.50000 -1.0 2.0
END
