* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    164    248     470
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68830
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07483
    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   167.74439
   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    57.98761
   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   -11.12151
   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   105.32504
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12706
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.80594    98.15690  -178.21458
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CO4  _C22    37     1.51986   106.10018    59.98376
   38    37 S   O    _O4_    38     1.23014   123.21325    74.84059
   39    33 S   NT   _N7_    92     1.46640   110.16869   174.08745
   40    39 S   H    _H22    93     0.99403   117.75129   -31.00903
   41    39 S   H    _H23    94     0.99389   117.72761   162.41594
   42    37 S   CA   _C20    39     1.46996   118.05453  -102.30849
   43    42 S   CA   _C12    40     1.39188   120.65031   -11.17034
   44    43 S   CA   _C7_    41     1.40855   114.77866   178.78630
   45    44 S   HA   _H5_    42     1.08767   121.35081  -179.82417
   46    43 S   CMA  _C21    84     1.50675   123.49110    -2.37034
   47    46 S   OM   _O3_    85     1.26855   120.11690  -171.71826
   48    44 S   CA   _C9_    43     1.39514   121.45773     0.31775
   49    48 S   HA   _H7_    44     1.08525   120.10980   179.93147
   50    33 S   CM   _C23    86     1.50880   108.84417   -62.47865
   51    48 S   CA   _C18    45     1.37904   117.88312     0.13122
   52    50 S   OS   _O8_    87     1.39730   112.38019   -74.20442
   53    51 S   CA   _C19    46     1.44336   121.27984   179.73312
   54    42 S   NB   _N5_    83     1.35803   113.78119   168.35142
   55    52 S   CT   _C28    88     1.40057   111.95036   120.21044
   56    55 S   HC   _H17    89     1.09232   109.51524   179.98022
   57    55 S   HC   _H18    90     1.09332   109.54576    59.14923
   58    55 S   HC   _H19    91     1.09306   108.95253   -60.38916
   59    53 S   NB   _N4_    47     1.35218   113.65694   -60.08204
   60    59 S   CA   _C4_    48     1.35237   116.32469  -179.97202
   61    60 S   CA   _C13    49     1.38601   124.05134     0.01978
   62    60 S   C    _C5_    79     1.45498   114.56049  -179.96044
   63    62 S   O    _O1_    80     1.23509   125.35297  -150.00811
   64    61 S   CA   _C11    50     1.39036   117.86559     0.02798
   65    61 S   CT   _C25    75     1.49413   120.53001   179.97202
   66    65 S   HC   _H8_    76     1.09583   110.24367   -89.99819
   67    65 S   HC   _H9_    77     1.09652   111.12984    30.54917
   68    65 S   HC   _H10    78     1.09664   111.10356   149.48750
   69    62 S   OH   _O33    81     1.36021   112.48341    29.96615
   70    69 S   HO   _H3_    82     0.98081   113.10245  -179.96044
   71    64 S   CA   _C10    51     1.45356   119.88296   179.97202
   72    53 S   CA   _C14    71     1.38578   122.27300   119.99790
   73    71 S   CA   _C6_    52     1.39438   119.11562   -89.99872
   74    73 S   HA   _H4_    53     1.08816   120.88543     0.11535
   75    72 S   NE   _N6_    72     1.41113   120.86387     0.02798
   76    75 S   H    _H20    73     0.99995   119.15939   176.88964
   77    75 S   H    _H21    74     0.99902   119.15700     3.05825
   78    73 S   CA   _C8_    54     1.39430   120.05551  -179.91844
   79    78 S   HA   _H6_    55     1.08693   119.64670  -179.88297
   80    78 S   CA   _C15    56     1.39534   119.98842     0.01978
   81    80 S   CA   _C17    57     1.39493   119.97082    -0.04423
   82    80 S   OS   _O6_    66     1.36194   119.41674  -179.93147
   83    71 S   CA   _C16    58     1.39535   120.92820    90.09260
   84    81 S   OS   _O7_    61     1.36376   119.91605   179.93744
   85    82 S   CT   _C26    67     1.42610   117.02103    -0.05234
   86    85 S   HC   _H11    68     1.09290   109.55002   180.00000
   87    85 S   HC   _H12    69     1.09294   109.55212    59.21028
   88    85 S   HC   _H13    70     1.09294   109.01961   -60.44044
   89    83 S   OH   _O5_    59     1.36548   120.62308     0.01978
   90    89 S   HO   _H24    60     0.96943   110.05514     0.07133
   91    84 S   CT   _C27    62     1.42564   116.97112   -89.92390
   92    91 S   HC   _H14    63     1.09303   109.48588   179.98022
   93    91 S   HC   _H15    64     1.09302   109.58954    59.16172
   94    91 S   HC   _H16    65     1.09269   108.96421   -60.47783
  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  10   5   4   3
  13   2   1   1  12   5   6   2   1  10  10   9   4   6   2   6
   3   5   7   4  11   2   3   2   1   1   9  12  13   5   2  15
   5   2   1   1   1   1  12   5   8   4   2   1   1   7   3  10
  10   6   4   5   3   2   1   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    52    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    54    46    47    50    52    55    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    51    54    46    50    52    39    40    41  
   42    43    54    50    39  
   40    41    42    46    50    52  
   41    50  
   50  
   43    44    45    48    51    53    54    46    47    50  
   44    45    48    49    51    54    46    47    50    52  
   45    48    49    51    53    54    46    47    50  
   48    49    51    46  
   47    50    52    55    48    54  
   50    52  
   49    51    53    59    72    54  
   51    53    54  
   52    55    56    57    58  
   53    59    60    64    72    75    54  
   55    56    57    58  
   59    60    61    64    71    72    75    76    77    62    54  
   59    72  
   56    57    58  
   57    58  
   58  
    0  
   60    61    64    72    75    65    62    63    69  
   61    64    71    72    65    66    67    68    62    63    69    70  
   64    71    73    83    72    75    65    66    67    68    62    63    69  
   63    69    70    64    65  
   69    70  
   71    73    74    78    81    83    89    72    75    76    77    65    66    67    68  
   66    67    68    71    72  
   67    68  
   68  
    0  
   70  
    0  
   73    74    78    79    80    81    83    89    90    84    72    75  
   75    76    77    73    83  
   74    78    79    80    81    83    89    82  
   78    79    80    83  
   76    77  
   77  
    0  
   79    80    81    83    84    82    85  
   80    81    82  
   81    83    89    84    91    82    85    86    87    88  
   83    89    90    84    91    92    93    94    82    85  
   85    86    87    88    83    84  
   89    90    84    91  
   91    92    93    94    89  
   86    87    88  
   87    88  
   88  
    0  
   90  
    0  
   92    93    94  
   93    94  
   94  
    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   0.347500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.292000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5500   0.0700   0.653700   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.351300   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   64   3.5500   0.0700   0.292000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.092000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   76   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    50   317.000  1.510
   33    39   382.000  1.448
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    43   469.000  1.400
   42    54   483.000  1.339
   43    44   469.000  1.400
   43    46   320.000  1.460
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    53   375.000  1.464
   51    54   483.000  1.339
   53    59   483.000  1.339
   53    72   469.000  1.400
   59    60   483.000  1.339
   60    61   469.000  1.400
   60    62   400.000  1.490
   61    64   469.000  1.400
   61    65   317.000  1.510
   64    71   375.000  1.464
   64    72   469.000  1.400
   71    73   469.000  1.400
   71    83   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    83   469.000  1.400
   81    84   450.000  1.364
   83    89   450.000  1.364
   89    90   553.000  0.945
   84    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   82    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   72    75   481.000  1.340
   75    76   434.000  1.010
   75    77   434.000  1.010
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   62    63   570.000  1.229
   62    69   450.000  1.364
   69    70   553.000  0.945
   46    47   745.000  1.250
   46    50   465.000  1.376
   50    52   440.000  1.360
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   434.000  1.010
   39    41   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    50    75.00000  112.20000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    50    46    70.00000  124.00000
   33    50    52    85.00000  112.85300
   33    39    40    35.00000  109.50000
   33    39    41    35.00000  109.50000
   37    42    43    60.00000  119.52600
   37    42    54    75.00000  117.56100
   42    37    38    75.00000  123.78400
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  120.93500
   42    54    51    70.00000  117.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    85.00000  114.86500
   43    46    50    60.00000  123.20500
   44    48    49    35.00000  120.00000
   44    48    51    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    51    53    60.00000  122.76000
   48    51    54    70.00000  124.00000
   51    48    49    35.00000  120.00000
   51    53    59    70.00000  116.69200
   51    53    72    60.00000  122.76000
   53    59    60    70.00000  117.00000
   53    72    64    63.00000  120.00000
   53    72    75    70.00000  120.10000
   59    60    61    70.00000  124.00000
   59    60    62    75.00000  117.56100
   60    61    64    63.00000  120.00000
   60    61    65    70.00000  120.00000
   60    62    63    80.00000  120.40000
   60    62    69    85.00000  111.88000
   61    64    71    60.00000  122.76000
   61    64    72    63.00000  120.00000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   64    71    73    60.00000  122.76000
   64    71    83    60.00000  122.76000
   64    72    75    70.00000  120.10000
   71    73    74    35.00000  120.00000
   71    73    78    63.00000  120.00000
   71    83    81    63.00000  120.00000
   71    83    89    70.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    80    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    80    81    63.00000  120.00000
   78    80    82    70.00000  120.00000
   80    78    79    35.00000  120.00000
   80    81    83    63.00000  120.00000
   80    81    84    70.00000  120.00000
   80    82    85    75.00000  111.00000
   81    83    89    70.00000  120.00000
   81    84    91    75.00000  111.00000
   83    71    73    63.00000  120.00000
   83    89    90    35.00000  113.00000
   84    81    83    70.00000  120.00000
   84    91    92    35.00000  109.50000
   84    91    93    35.00000  109.50000
   84    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   82    80    81    70.00000  120.00000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   72    53    59    70.00000  124.00000
   72    64    71    60.00000  122.76000
   72    75    76    35.00000  113.50000
   72    75    77    35.00000  113.50000
   77    75    76    35.00000  109.00000
   65    61    64    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   62    60    61    85.00000  120.00000
   62    69    70    35.00000  113.00000
   69    62    63   100.00000  123.32000
   54    42    43    70.00000  124.00000
   54    51    53    70.00000  116.69200
   46    43    44    60.00000  120.93500
   46    50    52    80.00000  120.01400
   50    33    37    70.00000  109.06800
   50    46    47    65.00000  137.10300
   50    52    55    90.00000  111.18400
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    75.00000  112.82000
   39    33    50    75.00000  110.70900
   41    39    40    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  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    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    50    46   0.42700  1.0 1.0
   29    33    50    46  -0.70350 -1.0 2.0
   29    33    50    46  -0.43150  1.0 3.0
   29    33    50    52   0.09700  1.0 1.0
   29    33    50    52   0.15600 -1.0 2.0
   29    33    50    52  -0.50800  1.0 3.0
   29    33    39    40  -0.05900  1.0 1.0
   29    33    39    40   0.08350 -1.0 2.0
   29    33    39    40   0.12500  1.0 3.0
   29    33    39    41  -0.05900  1.0 1.0
   29    33    39    41   0.08350 -1.0 2.0
   29    33    39    41   0.12500  1.0 3.0
   33    37    42    43   2.26350  1.0 1.0
   33    37    42    43   0.76750 -1.0 2.0
   33    37    42    43   0.22500  1.0 3.0
   33    37    42    54   0.56600 -1.0 2.0
   33    50    52    55   2.00000 -1.0 2.0
   37    33    50    46  -0.51250  1.0 1.0
   37    33    50    46  -0.88800 -1.0 2.0
   37    33    50    46   0.08850  1.0 3.0
   37    33    50    52   0.09700  1.0 1.0
   37    33    50    52   0.15600 -1.0 2.0
   37    33    50    52  -0.50800  1.0 3.0
   37    33    39    40   0.21900  1.0 1.0
   37    33    39    40  -0.24900 -1.0 2.0
   37    33    39    40   0.15200  1.0 3.0
   37    33    39    41   0.21900  1.0 1.0
   37    33    39    41  -0.24900 -1.0 2.0
   37    33    39    41   0.15200  1.0 3.0
   37    42    43    44   3.62500 -1.0 2.0
   37    42   -43    46   3.62500 -1.0 2.0
   37    42    54    51   3.62500 -1.0 2.0
   38    37    42    43   1.05000 -1.0 2.0
   38    37    42    54   1.05000 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    47  -0.01750  1.0 1.0
   42    43    46    47  -0.32000 -1.0 2.0
   42    43    46    47   0.00600  1.0 3.0
   42    43    46    50   0.15800  1.0 1.0
   42    43    46    50   1.85350 -1.0 2.0
   42    43    46    50  -0.48700  1.0 3.0
   43    42    54    51   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44   -48    51   3.62500 -1.0 2.0
   43    46   -50    33   7.00000 -1.0 2.0
   43    46    50    52   7.00000 -1.0 2.0
   44    43    46    47  -0.01750  1.0 1.0
   44    43    46    47  -0.32000 -1.0 2.0
   44    43    46    47   0.00600  1.0 3.0
   44    43    46    50   0.15800  1.0 1.0
   44    43    46    50   1.85350 -1.0 2.0
   44    43    46    50  -0.48700  1.0 3.0
   44    48    51    53   3.62500 -1.0 2.0
   44    48    51    54   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    51   3.62500 -1.0 2.0
   48    51    53    59   0.04300  1.0 1.0
   48    51    53    59   0.58850 -1.0 2.0
   48    51    53    59   0.22750  1.0 3.0
   48    51    53    72  -0.19450  1.0 1.0
   48    51    53    72   0.63300 -1.0 2.0
   48    51    53    72   0.07450  1.0 3.0
   48    51   -54    42   3.62500 -1.0 2.0
   49    48    51    53   3.62500 -1.0 2.0
   49    48    51    54   3.62500 -1.0 2.0
   51    53    59    60   3.62500 -1.0 2.0
   51    53    72    64   3.62500 -1.0 2.0
   51    53    72    75   3.62500 -1.0 2.0
   53    51    54    42   3.62500 -1.0 2.0
   53    59    60    61   3.62500 -1.0 2.0
   53    59    60    62   3.62500 -1.0 2.0
   53    72    75    76   1.00000 -1.0 2.0
   53    72    75    77   1.00000 -1.0 2.0
   59    53    72    64   3.62500 -1.0 2.0
   59    53    72    75   3.62500 -1.0 2.0
   59    60   -61    64   3.62500 -1.0 2.0
   59    60    61    65   3.62500 -1.0 2.0
   59    60    62    63   1.05000 -1.0 2.0
   59    60    62    69   0.78600  1.0 1.0
   59    60    62    69  -0.32500 -1.0 2.0
   60    61    64    71   3.62500 -1.0 2.0
   60    61    64    72   3.62500 -1.0 2.0
   60    61    65    66   0.00000  1.0 1.0
   60    61    65    67   0.00000  1.0 1.0
   60    61    65    68   0.00000  1.0 1.0
   60    62    69    70   2.25750  1.0 1.0
   60    62    69    70  -1.92700 -1.0 2.0
   61    60    62    63   1.05000 -1.0 2.0
   61    60    62    69   0.36000 -1.0 2.0
   61    64    71    73  -0.19450  1.0 1.0
   61    64    71    73   0.63300 -1.0 2.0
   61    64    71    73   0.07450  1.0 3.0
   61    64    71    83  -0.19450  1.0 1.0
   61    64    71    83   0.63300 -1.0 2.0
   61    64    71    83   0.07450  1.0 3.0
   61    64   -72    53   3.62500 -1.0 2.0
   61    64    72    75   3.62500 -1.0 2.0
   64    61    65    66   0.00000  1.0 1.0
   64    61    65    67   0.00000  1.0 1.0
   64    61    65    68   0.00000  1.0 1.0
   64    71    73    74   3.62500 -1.0 2.0
   64    71    73    78   3.62500 -1.0 2.0
   64    71    83    81   3.62500 -1.0 2.0
   64    71    83    89   3.62500 -1.0 2.0
   64    72    75    76   1.00000 -1.0 2.0
   64    72    75    77   1.00000 -1.0 2.0
   71    64    72    53   3.62500 -1.0 2.0
   71    64    72    75   3.62500 -1.0 2.0
   71    73    78    79   3.62500 -1.0 2.0
   71    73    78    80   3.62500 -1.0 2.0
   71    83    89    90   0.84100 -1.0 2.0
   73    71    83    81   3.62500 -1.0 2.0
   73    71    83    89   3.62500 -1.0 2.0
   73    78   -80    81   3.62500 -1.0 2.0
   73    78    80    82   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    80   3.62500 -1.0 2.0
   78    80    81    83   3.62500 -1.0 2.0
   78    80    81    84   3.62500 -1.0 2.0
   78    80    82    85   1.63200 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    81   -83    71   3.62500 -1.0 2.0
   80    81    83    89   3.62500 -1.0 2.0
   80    81    84    91   1.63200 -1.0 2.0
   80    82    85    86   0.08050  1.0 3.0
   80    82    85    87   0.08050  1.0 3.0
   80    82    85    88   0.08050  1.0 3.0
   81    80    82    85   1.63200 -1.0 2.0
   81    83    89    90   0.84100 -1.0 2.0
   81    84    91    92   0.08050  1.0 3.0
   81    84    91    93   0.08050  1.0 3.0
   81    84    91    94   0.08050  1.0 3.0
   83    71    73    74   3.62500 -1.0 2.0
   83    71   -73    78   3.62500 -1.0 2.0
   83    81    84    91   1.63200 -1.0 2.0
   84    81    83    71   3.62500 -1.0 2.0
   84    81    83    89   3.62500 -1.0 2.0
   82    80    81    83   3.62500 -1.0 2.0
   82    80    81    84   3.62500 -1.0 2.0
   72    53   -59    60   3.62500 -1.0 2.0
   72    64    71    73  -0.19450  1.0 1.0
   72    64    71    73   0.63300 -1.0 2.0
   72    64    71    73   0.07450  1.0 3.0
   72    64    71    83  -0.19450  1.0 1.0
   72    64    71    83   0.63300 -1.0 2.0
   72    64    71    83   0.07450  1.0 3.0
   65    61    64    71   3.62500 -1.0 2.0
   65    61    64    72   3.62500 -1.0 2.0
   62    60    61    64   3.62500 -1.0 2.0
   62    60    61    65   3.62500 -1.0 2.0
   63    62    69    70   0.92200  1.0 1.0
   63    62    69    70   3.74100 -1.0 2.0
   54    42   -43    44   3.62500 -1.0 2.0
   54    42    43    46   3.62500 -1.0 2.0
   54    51    53    59   0.60800  1.0 1.0
   54    51    53    59   1.31550 -1.0 2.0
   54    51    53    59   1.01100  1.0 3.0
   54    51    53    72   0.04300  1.0 1.0
   54    51    53    72   0.58850 -1.0 2.0
   54    51    53    72   0.22750  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
   46    50    52    55  -2.26850  1.0 1.0
   46    50    52    55   3.39050 -1.0 2.0
   47    46    50    33   7.00000 -1.0 2.0
   47    46    50    52   7.00000 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    42   0.65300  1.0 1.0
   50    33   -37    42  -0.03850 -1.0 2.0
   50    33   -37    42   0.33900  1.0 3.0
   50    33    39    40   0.12450  1.0 1.0
   50    33    39    40  -0.40750 -1.0 2.0
   50    33    39    40   0.30300  1.0 3.0
   50    33    39    41   0.12450  1.0 1.0
   50    33    39    41  -0.40750 -1.0 2.0
   50    33    39    41   0.30300  1.0 3.0
   50    52    55    56   0.08050  1.0 3.0
   50    52    55    57   0.08050  1.0 3.0
   50    52    55    58   0.08050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    50    46   0.90200  1.0 1.0
   39    33    50    46   0.57900 -1.0 2.0
   39    33    50    46  -0.62100  1.0 3.0
   39    33    50    52   0.09700  1.0 1.0
   39    33    50    52   0.15600 -1.0 2.0
   39    33    50    52  -0.50800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   43    54    42    37   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   51    49    48    44   1.10000 -1.0 2.0
   53    54    51    48   4.00000 -1.0 2.0
   59    72    53    51   4.00000 -1.0 2.0
   62    61    60    59   4.00000 -1.0 2.0
   64    65    61    60   4.00000 -1.0 2.0
   71    72    64    61   4.00000 -1.0 2.0
   73    83    71    64   4.00000 -1.0 2.0
   78    74    73    71   1.10000 -1.0 2.0
   80    79    78    73   1.10000 -1.0 2.0
   81    82    80    78   4.00000 -1.0 2.0
   83    84    81    80   4.00000 -1.0 2.0
   81    89    83    71   4.00000 -1.0 2.0
   64    75    72    53   4.00000 -1.0 2.0
   77    72    75    76   1.00000 -1.0 2.0
   60    69    62    63  10.50000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   33    52    50    46   1.10000 -1.0 2.0
END
