* LIGAND DATABASE FILE (OPLS2005)
*
001      93    92    164    231     471
    1     0 S   NP   _N1_     1    28.87992    98.21382   -24.44502
    2     1 S   H    _HN1     2     1.03169   121.37675  -127.77997
    3     1 S   H    _H1_     3     1.02894    74.69377   -25.82687
    4     1 S   H    _H2_     4     1.02770    32.77168   159.15751
    5     1 S   CT   _CA1     5     1.49995   121.43530    79.30248
    6     5 S   HC   _HA1     6     1.09522   105.09115    92.40248
    7     5 S   CO3  _C1_     7     1.53740   112.68618   -28.04278
    8     7 S   O2Z  _O11     8     1.26415   115.01111   -40.64137
    9     7 S   O2Z  _O12     9     1.26223   115.06747   138.55437
   10     5 S   CT   _CB1    10     1.53053   107.52919  -149.27254
   11    10 S   HC   HB11    11     1.09588   109.53222   -45.59186
   12    10 S   HC   HB12    12     1.09802   110.67955    70.95065
   13    10 S   CT   _CG1    13     1.52939   112.47573  -166.55798
   14    13 S   HC   HG11    14     1.09575   110.64217   -71.37449
   15    13 S   HC   HG12    15     1.09469   109.75375    47.62813
   16    13 S   C    _CD1    16     1.51784   111.97168   168.22297
   17    16 S   O    _OE1    17     1.22802   123.08003    14.78757
   18    16 S   N    _N2_    18     1.38489   112.04087  -166.03490
   19    18 S   H    _HN2    19     1.01753   119.10610     5.40283
   20    18 S   CT1  _CA2    20     1.45951   122.83683   179.98022
   21    20 S   HC   _HA2    21     1.09645   109.86604    22.85957
   22    20 S   C    _C2_    22     1.52766   104.81659   -95.05551
   23    22 S   O    _O2_    23     1.23024   122.49502   -79.71498
   24    20 S   CT   _CB2    32     1.53171   111.75953   146.03978
   25    24 S   HC   HB21    33     1.09402   109.44460    53.16006
   26    24 S   HC   HB22    34     1.09498   109.69545   172.11927
   27    22 S   N    _N3_    24     1.38464   113.03770    95.86695
   28    27 S   H    _HN3    25     1.01662   119.89740     2.93378
   29    24 S   S    _SG2    35     1.82957   110.97131   -67.12137
   30    27 S   CT   _CA3    26     1.45465   122.88605  -179.17220
   31    30 S   HC   HA31    27     1.09514   107.16221   -87.73426
   32    30 S   HC   HA32    28     1.09540   109.07279    28.89809
   33    29 S   CT   _C22    36     1.87752   101.96369  -178.25751
   34    33 S   OM   _O42    37     1.32371   107.00576    77.32036
   35    30 S   CO3  _C3_    29     1.52764   113.29509   152.38191
   36    35 S   O2Z  _O31    30     1.26329   115.61011    37.84595
   37    35 S   O2Z  _O32    31     1.26366   114.82658  -141.84682
   38    33 S   CM   _C23    38     1.53760   106.59958  -167.64576
   39    38 S   HC   _H24    39     1.09805   112.92819  -108.42141
   40    33 S   CT   _C21    47     1.54920   111.79059   -40.44048
   41    40 S   HC   _H22    48     1.09517   109.58299   -43.62845
   42    40 S   HC   _H23    49     1.10028   111.50297    73.50525
   43    38 S   CMA  _C24    40     1.36611   134.17989    72.46691
   44    43 S   OM   _O41    41     1.26861   124.68218   178.12174
   45    40 S   CO4  _C20    50     1.53231   117.58858  -164.82077
   46    45 S   O    _O40    51     1.22991   123.82116   -24.89386
   47    43 S   S    _S1_    42     1.79629   116.16966    -1.61083
   48    45 S   CT   _C19    52     1.51484   115.68231   157.72967
   49    48 S   HC   _H20    53     1.09481   107.96361   -54.99115
   50    48 S   HC   _H21    54     1.09500   109.38745  -171.44689
   51    47 S   CT   _C25    43     1.81000    99.86742  -113.26991
   52    51 S   HC   _H25    44     1.09340   109.03533   174.05143
   53    51 S   HC   _H26    45     1.09331   110.87876    54.77009
   54    51 S   HC   _H27    46     1.09335   110.77323   -66.83294
   55    48 S   CO4  _C18    55     1.51211   113.72332    67.55585
   56    55 S   O    _O39    56     1.23130   121.85388    38.34385
   57    55 S   CT   _C17    57     1.51164   117.27478  -141.58315
   58    57 S   HC   _H18    58     1.09541   108.13983  -156.67270
   59    57 S   HC   _H19    59     1.09467   108.70009   -39.70884
   60    57 S   CO4  _C16    60     1.51246   113.97012    82.60525
   61    60 S   O    _O38    61     1.22952   122.00337    -0.03426
   62    60 S   CT   _C15    62     1.51116   116.30541   178.86633
   63    62 S   HC   _H16    63     1.09444   109.32589   -69.05085
   64    62 S   HC   _H17    64     1.09566   108.46442    48.52816
   65    62 S   CO4  _C14    65     1.51183   114.10141   168.72034
   66    65 S   O    _O37    66     1.23161   120.73349  -105.37814
   67    65 S   CT   _C13    67     1.51415   117.46866    76.43730
   68    67 S   HC   _H14    68     1.09479   106.79351    95.62309
   69    67 S   HC   _H15    69     1.09434   110.12963   -21.81160
   70    67 S   CO4  _C12    70     1.51441   114.50551  -142.82015
   71    70 S   O    _O36    71     1.23087   121.67250    29.71607
   72    70 S   CT   _C11    72     1.51383   116.34887  -154.69722
   73    72 S   HC   _H12    73     1.09483   109.59958    42.18723
   74    72 S   HC   _H13    74     1.09438   107.57301   -75.37839
   75    72 S   CO4  _C10    75     1.51461   114.49378   162.27605
   76    75 S   O    _O35    76     1.23017   120.82754   -49.62659
   77    75 S   CT   _C9_    77     1.51335   116.25758   129.74659
   78    77 S   HC   _H10    78     1.09379   106.55531   -69.49531
   79    77 S   HC   _H11    79     1.09493   108.35172    48.23362
   80    77 S   CO4  _C8_    80     1.51616   117.13981   169.46337
   81    80 S   O    _O34    81     1.22961   122.48833   -17.95122
   82    80 S   CT   _C7_    82     1.51660   115.43366   165.60076
   83    82 S   HC   _H8_    83     1.09460   106.95662    71.80054
   84    82 S   HC   _H9_    84     1.09454   108.46643   -46.14517
   85    82 S   CO4  _C6_    85     1.51468   116.28986  -166.65591
   86    85 S   O    _O33    86     1.23144   122.62065    23.70140
   87    85 S   CT   _C5_    87     1.51524   116.80969  -159.29913
   88    87 S   HC   _H6_    88     1.09576   108.30576   165.24250
   89    87 S   HC   _H7_    89     1.09491   109.01920    49.10462
   90    87 S   CT   _C4_    90     1.51559   111.22399   -73.69753
   91    90 S   HC   _H3_    91     1.09449   111.23958    63.63447
   92    90 S   HC   _H4_    92     1.09511   111.01150   -56.25502
   93    90 S   HC   _H5_    93     1.09428   110.39713  -176.42966
  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
  12   7   2   1   1   9   4   9   4   3   6   2   7   4   4   8
   4   3   3   2   1   1   7   4   8   4   3   7   4   8   4   3
   7   4   8   4   3   7   4   8   4   3   7   4   8   4   3   7
   4   8   4   3   8   4   6   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    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    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    49    50    55    43  
   42    45    46    48  
   45    46    48  
   44    47    51    52    53    54  
   47    51  
   46    48    49    50    55    56    57  
   48    49    50    55  
   51    52    53    54  
   49    50    55    56    57    58    59    60  
   50    55    56    57  
   55    56    57  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59    60  
   58    59    60    61    62    63    64    65  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    66    67  
   62    63    64    65  
   63    64    65    66    67    68    69    70  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69    70  
   68    69    70    71    72    73    74    75  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82  
   77    78    79    80  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87  
   86    87    88    89    90    91    92    93  
   87    88    89    90  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.6000   0.3550  -0.575000   2.0300   1.8000   0.025682759  -1.666211680
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   240.000  1.763
   47    51   222.000  1.810
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   317.000  1.522
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.522
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.522
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.522
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.522
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   317.000  1.522
   85    86   570.000  1.229
   85    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    65.00000  137.10300
   38    43    47    65.00000  122.11800
   43    38    39    40.00000  120.50800
   43    47    51    85.00000  102.41200
   47    43    44    95.00000  113.88000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    55    75.00000  107.99600
   48    45    46    80.00000  120.40000
   48    55    56    80.00000  120.40000
   48    55    57    70.00000  116.00000
   50    48    49    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  107.99600
   57    55    56    80.00000  120.40000
   57    60    61    80.00000  120.40000
   57    60    62    70.00000  116.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    75.00000  107.99600
   62    60    61    80.00000  120.40000
   62    65    66    80.00000  120.40000
   62    65    67    70.00000  116.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    75.00000  107.99600
   67    65    66    80.00000  120.40000
   67    70    71    80.00000  120.40000
   67    70    72    70.00000  116.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    75.00000  107.99600
   72    70    71    80.00000  120.40000
   72    75    76    80.00000  120.40000
   72    75    77    70.00000  116.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    75.00000  107.99600
   77    75    76    80.00000  120.40000
   77    80    81    80.00000  120.40000
   77    80    82    70.00000  116.00000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    75.00000  107.99600
   82    80    81    80.00000  120.40000
   82    85    86    80.00000  120.40000
   82    85    87    70.00000  116.00000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    63.00000  111.10000
   87    85    86    80.00000  120.40000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.60050  1.0 1.0
   33    40    45    48   0.05600 -1.0 2.0
   33    40    45    48   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    51   1.00000 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.24000  1.0 3.0
   43    47    51    53   0.24000  1.0 3.0
   43    47    51    54   0.24000  1.0 3.0
   44    43    47    51   1.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    55   0.65300  1.0 1.0
   40    45    48    55  -0.03850 -1.0 2.0
   40    45    48    55   0.33900  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    55    56   0.30150 -1.0 2.0
   45    48    55    57   0.65300  1.0 1.0
   45    48    55    57  -0.03850 -1.0 2.0
   45    48    55    57   0.33900  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    55   0.30150 -1.0 2.0
   48    55    57    58   0.00000  1.0 1.0
   48    55    57    59   0.00000  1.0 1.0
   48    55    57    60   0.65300  1.0 1.0
   48    55    57    60  -0.03850 -1.0 2.0
   48    55    57    60   0.33900  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   50    48    55    56   0.00000  1.0 1.0
   50    48    55    57   0.00000  1.0 1.0
   55    57    60    61   0.30150 -1.0 2.0
   55    57    60    62   0.65300  1.0 1.0
   55    57    60    62  -0.03850 -1.0 2.0
   55    57    60    62   0.33900  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    60   0.30150 -1.0 2.0
   57    60    62    63   0.00000  1.0 1.0
   57    60    62    64   0.00000  1.0 1.0
   57    60    62    65   0.65300  1.0 1.0
   57    60    62    65  -0.03850 -1.0 2.0
   57    60    62    65   0.33900  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    65    66   0.30150 -1.0 2.0
   60    62    65    67   0.65300  1.0 1.0
   60    62    65    67  -0.03850 -1.0 2.0
   60    62    65    67   0.33900  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.30150 -1.0 2.0
   62    65    67    68   0.00000  1.0 1.0
   62    65    67    69   0.00000  1.0 1.0
   62    65    67    70   0.65300  1.0 1.0
   62    65    67    70  -0.03850 -1.0 2.0
   62    65    67    70   0.33900  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    70    71   0.30150 -1.0 2.0
   65    67    70    72   0.65300  1.0 1.0
   65    67    70    72  -0.03850 -1.0 2.0
   65    67    70    72   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70    72    73   0.00000  1.0 1.0
   67    70    72    74   0.00000  1.0 1.0
   67    70    72    75   0.65300  1.0 1.0
   67    70    72    75  -0.03850 -1.0 2.0
   67    70    72    75   0.33900  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    75    76   0.30150 -1.0 2.0
   70    72    75    77   0.65300  1.0 1.0
   70    72    75    77  -0.03850 -1.0 2.0
   70    72    75    77   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.30150 -1.0 2.0
   72    75    77    78   0.00000  1.0 1.0
   72    75    77    79   0.00000  1.0 1.0
   72    75    77    80   0.65300  1.0 1.0
   72    75    77    80  -0.03850 -1.0 2.0
   72    75    77    80   0.33900  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    80    81   0.30150 -1.0 2.0
   75    77    80    82   0.65300  1.0 1.0
   75    77    80    82  -0.03850 -1.0 2.0
   75    77    80    82   0.33900  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.30150 -1.0 2.0
   77    80    82    83   0.00000  1.0 1.0
   77    80    82    84   0.00000  1.0 1.0
   77    80    82    85   0.65300  1.0 1.0
   77    80    82    85  -0.03850 -1.0 2.0
   77    80    82    85   0.33900  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.00000  1.0 1.0
   80    82    85    86   0.30150 -1.0 2.0
   80    82    85    87   0.65300  1.0 1.0
   80    82    85    87  -0.03850 -1.0 2.0
   80    82    85    87   0.33900  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.00000  1.0 1.0
   81    80    82    85   0.30150 -1.0 2.0
   82    85    87    88   0.00000  1.0 1.0
   82    85    87    89   0.00000  1.0 1.0
   82    85    87    90   0.60050  1.0 1.0
   82    85    87    90   0.05600 -1.0 2.0
   82    85    87    90   0.26150  1.0 3.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   84    82    85    86   0.00000  1.0 1.0
   84    82    85    87   0.00000  1.0 1.0
   85    87    90    91  -0.11250  1.0 3.0
   85    87    90    92  -0.11250  1.0 3.0
   85    87    90    93  -0.11250  1.0 3.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.00000  1.0 1.0
   86    85    87    90   0.30150 -1.0 2.0
   88    87    90    91   0.15000  1.0 3.0
   88    87    90    92   0.15000  1.0 3.0
   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   44    47    43    38  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   48    57    55    56  10.50000 -1.0 2.0
   57    62    60    61  10.50000 -1.0 2.0
   62    67    65    66  10.50000 -1.0 2.0
   67    72    70    71  10.50000 -1.0 2.0
   72    77    75    76  10.50000 -1.0 2.0
   77    82    80    81  10.50000 -1.0 2.0
   82    87    85    86  10.50000 -1.0 2.0
END
