* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    159    249     463
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.80585    98.13950   161.76202
   34    33 S   HC   _H3_    37     1.09625   106.83282    35.74535
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C5A  _C9_    38     1.49947   106.88686   -80.00024
   39    33 S   CT   _C12    73     1.54671   112.10632   156.23552
   40    39 S   HC   _H4_    74     1.09961   109.24001   160.52307
   41    38 S   C5B  _C10    39     1.45826   127.09404   -35.22309
   42    41 S   HA   _H14    40     1.09642   122.09218    -0.04846
   43    39 S   CO3  _C18    75     1.55072   109.19313   -81.17631
   44    43 S   O2Z  _O34    76     1.26462   114.44574    61.01658
   45    43 S   O2Z  _O33    77     1.26361   116.13317  -118.88298
   46    39 S   CT   _C13    78     1.54463   113.12526    37.90269
   47    46 S   HC   _H15    79     1.09806   110.48826   -74.10350
   48    46 S   HC   _H16    80     1.09616   110.95469    42.22681
   49    41 S   N5B  _N5_    41     1.29951   110.33256   179.94405
   50    46 S   C5A  _C14    81     1.51255   113.35120   162.36722
   51    49 S   CRA  _C8_    42     1.38558   103.79146     0.01978
   52    50 S   C5B  _C15    82     1.37782   128.47155   -56.04552
   53    52 S   HA   _H17    83     1.08209   123.66892     0.00000
   54    38 S   NA   _N4_    43     1.40325   127.92885   144.70131
   55    51 S   CT   _C7_    60     1.48541   121.97787  -179.97202
   56    55 S   HC   _H12    61     1.09602   109.29107   179.97202
   57    55 S   HC   _H13    62     1.09679   107.82244    62.53861
   58    52 S   C5B  _C16    84     1.42461   112.02159  -179.89347
   59    58 S   HA   _H18    85     1.08227   124.61184   179.91607
   60    54 S   CT   _C19    44     1.45927   121.61257     0.03956
   61    60 S   HC   _H20    45     1.09530   108.73976   149.96260
   62    60 S   HC   _H21    46     1.09506   108.70634    33.10836
   63    55 S   CT   _C6_    63     1.52869   111.25479   -57.18288
   64    63 S   HC   _H10    64     1.09772   109.80390    60.01891
   65    63 S   HC   _H11    65     1.09687   108.78333   176.90857
   66    58 S   C5A  _C17    86     1.37706   112.10145    -0.00000
   67    66 S   HA   _H19    87     1.08129   127.62568  -179.95577
   68    60 S   CA   _C20    47     1.49891   109.07559   -88.44654
   69    63 S   CT   _C5_    66     1.53014   112.46929   -62.22904
   70    69 S   HC   _H8_    67     1.09570   110.30724    61.36976
   71    69 S   HC   _H9_    68     1.09678   109.82388   -56.56849
   72    50 S   SA   _S1_    88     1.71197   119.48022   124.07794
   73    68 S   CA   _C21    48     1.39575   119.95593   -74.96891
   74    73 S   HA   _H22    49     1.08649   120.51680    -0.16313
   75    69 S   CT   _C4_    69     1.52053   111.43235  -177.56153
   76    75 S   HC   _H5_    70     1.09499   111.05255    58.16337
   77    75 S   HC   _H6_    71     1.09455   110.96265   -62.37074
   78    75 S   HC   _H7_    72     1.09467   110.29099   177.89494
   79    73 S   CA   _C22    50     1.39463   119.98132   179.88809
   80    79 S   HA   _H23    51     1.08774   119.38111  -179.98022
   81    79 S   CA   _C23    52     1.39406   120.04448    -0.06853
   82    81 S   CA   _C24    53     1.39529   120.00416     0.09691
   83    82 S   HA   _H24    54     1.08649   120.54681   179.98022
   84    81 S   CO3  _C26    57     1.47187   120.00508   179.96044
   85    84 S   O2Z  _O36    58     1.28761   118.77364   180.00000
   86    84 S   O2Z  _O35    59     1.28822   118.72481     0.13988
   87    68 S   CA   _C25    55     1.39537   120.08396   104.86563
   88    87 S   HA   _H25    56     1.08656   120.46158     0.17246
  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
  17   7   2   1   1  14  12   7   6   3   6   2   1   8   4   3
   7   7  12   6   4  10  10   5   4   4   3   9   4   3   9   5
   4   2   1   9   6   5   4   1   8   4   3   2   1   1   8   3
   7   6   3   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    54    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    51    54    60    39    40    43    44    45    46    47    48    50  
   38    41    54    39    40    43    46  
   36    37  
   37  
    0  
   41    42    49    51    54    60    61    62    68    55    39    40    43    46  
   40    43    44    45    46    47    48    50    52    72    41    54  
   43    44    45    46    47    48    50  
   42    49    51    54    60    55  
   49    51    54  
   44    45    46    47    48    50  
   45    46  
   46  
   47    48    50    52    53    58    66    72  
   48    50    52    72  
   50    52    72  
   51    54    60    55    56    57    63  
   52    53    58    59    66    67    72  
   54    60    61    62    68    55    56    57    63    64    65    69  
   53    58    59    66    67    72  
   58    59    66    72  
   60    61    62    68    73    87    55    56    57    63  
   56    57    63    64    65    69    70    71    75    60  
   57    63    64    65    69  
   63    64    65    69  
   59    66    67    72  
   66    67    72  
   61    62    68    73    74    79    82    87    88  
   62    68    73    87  
   68    73    87  
   64    65    69    70    71    75    76    77    78  
   65    69    70    71    75  
   69    70    71    75  
   67    72  
   72  
   73    74    79    80    81    82    83    87    88  
   70    71    75    76    77    78  
   71    75    76    77    78  
   75    76    77    78  
    0  
   74    79    80    81    82    87    88    84  
   79    80    81    87  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    87    84    85    86  
   81    82    84  
   82    83    87    88    84    85    86  
   83    87    88    84    85    86  
   87    88    84  
   85    86    87  
   86  
    0  
   88  
    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   0.241500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.233000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700   0.185000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.075000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   50   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.238000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.1700  -0.073500   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   295.000  1.489
   33    39   268.000  1.529
   38    41   520.000  1.370
   38    54   427.000  1.381
   41    42   367.000  1.080
   41    49   410.000  1.394
   49    51   488.000  1.335
   51    54   477.000  1.343
   51    55   295.000  1.488
   54    60   320.000  1.443
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   317.000  1.510
   68    73   469.000  1.400
   68    87   469.000  1.400
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    84   400.000  1.490
   82    83   367.000  1.080
   82    87   469.000  1.400
   87    88   367.000  1.080
   84    85   656.000  1.250
   84    86   656.000  1.250
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    46   268.000  1.529
   43    44   656.000  1.250
   43    45   656.000  1.250
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   295.000  1.489
   50    52   520.000  1.370
   50    72   265.000  1.745
   52    53   367.000  1.080
   52    58   400.000  1.425
   58    59   367.000  1.080
   58    66   520.000  1.370
   66    67   367.000  1.080
   66    72   265.000  1.745
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    55.00000  130.44200
   33    38    54    65.00000  122.56900
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  109.69300
   33    39    46    58.35000  112.70000
   38    33    34    45.00000  110.47400
   38    41    42    35.00000  128.20000
   38    41    49    70.00000  111.00000
   38    54    51    70.00000  109.80000
   38    54    60    65.00000  127.50000
   41    49    51    70.00000  110.00000
   49    41    42    35.00000  120.00000
   49    51    54    70.00000  120.00000
   49    51    55    65.00000  125.57700
   51    54    60    60.00000  127.66100
   51    55    56    45.00000  109.19200
   51    55    57    45.00000  109.19200
   51    55    63    70.00000  112.56400
   54    38    41    70.00000  106.30000
   54    60    61    50.00000  108.61900
   54    60    62    50.00000  108.61900
   54    60    68    75.00000  110.34000
   60    68    73    70.00000  120.00000
   60    68    87    70.00000  120.00000
   62    60    61    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    62    35.00000  109.50000
   68    73    74    35.00000  120.00000
   68    73    79    63.00000  120.00000
   68    87    82    63.00000  120.00000
   68    87    88    35.00000  120.00000
   73    79    80    35.00000  120.00000
   73    79    81    63.00000  120.00000
   79    73    74    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    84    85.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    87    63.00000  120.00000
   81    84    85    80.00000  120.40000
   81    84    86    80.00000  120.40000
   82    87    88    35.00000  120.00000
   87    68    73    63.00000  120.00000
   87    82    83    35.00000  120.00000
   84    81    82    85.00000  120.00000
   86    84    85    80.00000  126.00000
   55    51    54    65.00000  122.43800
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    75    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  113.44400
   39    43    44    70.00000  117.00000
   39    43    45    70.00000  117.00000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    50    70.00000  113.44400
   43    39    40    35.00000  109.50000
   45    43    44    80.00000  126.00000
   46    39    40    37.50000  110.70000
   46    39    43    70.00000  109.69300
   46    50    52    55.00000  130.44200
   46    50    72    65.00000  123.52500
   48    46    47    33.00000  107.80000
   50    46    47    45.00000  110.47400
   50    46    48    45.00000  110.47400
   50    52    53    35.00000  128.20000
   50    52    58    75.00000  112.39000
   50    72    66   110.00000   90.41100
   52    58    59    35.00000  125.69000
   52    58    66    75.00000  112.39000
   58    52    53    35.00000  125.69000
   58    66    67    35.00000  130.70000
   58    66    72    80.00000  111.29200
   66    58    59    35.00000  128.20000
   72    50    52    80.00000  111.29200
   72    66    67    40.00000  122.38200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    54   0.04300 -1.0 2.0
   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    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    49   3.62500 -1.0 2.0
   33    38    54    51   3.62500 -1.0 2.0
   33    38    54    60   3.62500 -1.0 2.0
   33    39    43    44   0.41150 -1.0 2.0
   33    39    43    45   0.41150 -1.0 2.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    50  -0.03700  1.0 1.0
   33    39    46    50   0.37200 -1.0 2.0
   33    39    46    50  -0.47300  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -2.95950  1.0 1.0
   38    33    39    43   0.02300  1.0 3.0
   38    33    39    46  -0.03700  1.0 1.0
   38    33    39    46   0.37200 -1.0 2.0
   38    33    39    46  -0.47300  1.0 3.0
   38    41   -49    51   2.40000 -1.0 2.0
   38    54    60    61   0.00000  1.0 1.0
   38    54    60    62   0.00000  1.0 1.0
   38    54    60    68   0.68100  1.0 1.0
   38    54    60    68   0.03350 -1.0 2.0
   38    54    60    68   0.36200  1.0 3.0
   41    38   -54    51   1.40000 -1.0 2.0
   41    38    54    60   3.62500 -1.0 2.0
   41    49   -51    54   5.00000 -1.0 2.0
   41    49    51    55   3.62500 -1.0 2.0
   42    41    49    51   2.40000 -1.0 2.0
   49    51   -54    38   2.32500 -1.0 2.0
   49    51    54    60   3.62500 -1.0 2.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    57   0.00000  1.0 1.0
   49    51    55    63   0.29300  1.0 1.0
   49    51    55    63  -1.19700 -1.0 2.0
   49    51    55    63   0.60900  1.0 3.0
   51    54    60    61   0.00000  1.0 1.0
   51    54    60    62   0.00000  1.0 1.0
   51    54    60    68   0.68100  1.0 1.0
   51    54    60    68   0.03350 -1.0 2.0
   51    54    60    68   0.36200  1.0 3.0
   51    55    63    64   0.43200  1.0 3.0
   51    55    63    65   0.43200  1.0 3.0
   51    55    63    69  -0.03700  1.0 1.0
   51    55    63    69   0.37200 -1.0 2.0
   51    55    63    69  -0.47300  1.0 3.0
   54    38    41    42   5.37500 -1.0 2.0
   54    38   -41    49   5.37500 -1.0 2.0
   54    51    55    56   0.00000  1.0 1.0
   54    51    55    57   0.00000  1.0 1.0
   54    51    55    63   0.39850  1.0 1.0
   54    51    55    63   0.06450 -1.0 2.0
   54    51    55    63   0.32400  1.0 3.0
   54    60    68    73   0.04300 -1.0 2.0
   54    60    68    87   0.04300 -1.0 2.0
   60    68    73    74   3.62500 -1.0 2.0
   60    68    73    79   3.62500 -1.0 2.0
   60    68    87    82   3.62500 -1.0 2.0
   60    68    87    88   3.62500 -1.0 2.0
   61    60    68    73   0.00000  1.0 1.0
   61    60    68    87   0.00000  1.0 1.0
   62    60    68    73   0.00000  1.0 1.0
   62    60    68    87   0.00000  1.0 1.0
   68    73    79    80   3.62500 -1.0 2.0
   68    73    79    81   3.62500 -1.0 2.0
   73    68    87    82   3.62500 -1.0 2.0
   73    68    87    88   3.62500 -1.0 2.0
   73    79   -81    82   3.62500 -1.0 2.0
   73    79    81    84   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    81   3.62500 -1.0 2.0
   79    81    82    83   3.62500 -1.0 2.0
   79    81    82    87   3.62500 -1.0 2.0
   79    81    84    85   1.05000 -1.0 2.0
   79    81    84    86   1.05000 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    84   3.62500 -1.0 2.0
   81    82   -87    68   3.62500 -1.0 2.0
   81    82    87    88   3.62500 -1.0 2.0
   82    81    84    85   1.05000 -1.0 2.0
   82    81    84    86   1.05000 -1.0 2.0
   83    82    87    68   3.62500 -1.0 2.0
   83    82    87    88   3.62500 -1.0 2.0
   87    68    73    74   3.62500 -1.0 2.0
   87    68   -73    79   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    87   3.62500 -1.0 2.0
   55    51    54    38   3.62500 -1.0 2.0
   55    51    54    60   3.62500 -1.0 2.0
   55    63    69    70   0.15000  1.0 3.0
   55    63    69    71   0.15000  1.0 3.0
   55    63    69    75   0.56750  1.0 1.0
   55    63    69    75  -0.07550 -1.0 2.0
   55    63    69    75   0.20000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    69   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   57    55    63    69   0.15000  1.0 3.0
   63    69    75    76   0.15000  1.0 3.0
   63    69    75    77   0.15000  1.0 3.0
   63    69    75    78   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    75   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    75   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    54   0.39850  1.0 1.0
   39    33    38    54   0.06450 -1.0 2.0
   39    33    38    54   0.32400  1.0 3.0
   39    46    50    52   0.04150 -1.0 2.0
   39    46    50    72  -1.00500  1.0 1.0
   39    46    50    72  -0.91300 -1.0 2.0
   39    46    50    72   0.11400  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.00000  1.0 1.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    50   0.43200  1.0 3.0
   43    39    46    47  -0.11250  1.0 3.0
   43    39    46    48  -0.11250  1.0 3.0
   43    39    46    50  -2.95950  1.0 1.0
   43    39    46    50   0.02300  1.0 3.0
   46    39    43    44   0.41150 -1.0 2.0
   46    39    43    45   0.41150 -1.0 2.0
   46    50    52    53   3.62500 -1.0 2.0
   46    50    52    58   3.62500 -1.0 2.0
   46    50    72    66   3.62500 -1.0 2.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    72   0.00000  1.0 1.0
   48    46    50    52   0.00000  1.0 1.0
   48    46    50    72   0.00000  1.0 1.0
   50    52    58    59   3.62500 -1.0 2.0
   50    52   -58    66   3.62500 -1.0 2.0
   52    50   -72    66   3.62500 -1.0 2.0
   52    58    66    67   3.62500 -1.0 2.0
   52    58   -66    72   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    66   3.62500 -1.0 2.0
   58    66   -72    50   3.62500 -1.0 2.0
   59    58    66    67   3.62500 -1.0 2.0
   59    58    66    72   3.62500 -1.0 2.0
   67    66    72    50   3.62500 -1.0 2.0
   72    50    52    53   3.62500 -1.0 2.0
   72    50   -52    58   3.62500 -1.0 2.0
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
   41    54    38    33   4.00000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   55    54    51    49   4.00000 -1.0 2.0
   51    60    54    38   4.00000 -1.0 2.0
   73    87    68    60   4.00000 -1.0 2.0
   79    74    73    68   1.10000 -1.0 2.0
   81    80    79    73   1.10000 -1.0 2.0
   82    84    81    79   4.00000 -1.0 2.0
   87    83    82    81   1.10000 -1.0 2.0
   82    88    87    68   1.10000 -1.0 2.0
   85    81    84    86  10.50000 -1.0 2.0
   44    39    43    45  10.50000 -1.0 2.0
   52    72    50    46   4.00000 -1.0 2.0
   58    53    52    50   1.10000 -1.0 2.0
   66    59    58    52   1.10000 -1.0 2.0
   72    67    66    58   1.10000 -1.0 2.0
END
