* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    144    234     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02052    33.66380   149.18205
    3     1 S   H    _H1_     3     1.02130    85.34552   -76.36955
    4     1 S   H    _H2_     4     1.02102    94.74687    32.04751
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.84055    98.14547  -178.20409
   34    33 S   Br   BR37    37     1.97024   107.70412   178.67131
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CM   _C19    38     1.53401   109.46862    59.96547
   39    38 S   CM   _C17    39     1.34094   120.03917  -103.19562
   40    39 S   CM   _C16    40     1.43838   122.26115    -3.06190
   41    40 S   Br   BR34    41     1.87238   118.26738   153.12310
   42    39 S   CO4  _C21    46     1.46477   108.68027   175.72080
   43    42 S   O    _O21    47     1.21821   127.26379   177.33369
   44    40 S   CM   _C18    42     1.46441   120.08353   -15.02985
   45    44 S   Br   BR35    43     1.88492   118.07458  -161.98224
   46    42 S   OS   _O26    48     1.36155   107.81131    -3.25480
   47    33 S   CM   _C20    44     1.55446   107.55332   -63.34668
   48    47 S   Br   BR36    45     1.90296   116.41906   -69.93390
   49    38 S   CT   _C22    49     1.52244   130.08294    74.91138
   50    49 S   CA   _C10    50     1.54265   117.06377    81.11368
   51    49 S   CA   _C11    66     1.53669   112.21139   -56.37766
   52    50 S   CA   _C4_    51     1.39456   120.01721  -165.93077
   53    52 S   HA   _H38    52     1.08630   120.47855     0.05234
   54    51 S   CA   _C5_    67     1.39535   119.97462   107.95885
   55    54 S   HA   _H39    68     1.08664   120.47525     0.09691
   56    52 S   CA   _C6_    53     1.39491   120.04243  -180.00000
   57    56 S   HA   _H40    54     1.08615   119.67317   179.93439
   58    54 S   CA   _C7_    69     1.39425   120.02098  -179.96574
   59    58 S   HA   _H41    70     1.08659   119.68139  -179.96574
   60    56 S   CA   _C12    55     1.39524   119.97231     0.04423
   61    58 S   CA   _C13    71     1.39547   119.99560     0.09065
   62    60 S   CA   _C14    56     1.39551   119.99308    -0.05234
   63    60 S   OH   _O27    64     1.36238   118.97393   179.93439
   64    63 S   HO   _H44    65     0.96994   110.25328    -0.06256
   65    61 S   CA   _C15    72     1.39442   119.98139    -0.07402
   66    61 S   OH   _O28    80     1.36263   118.99209   179.89913
   67    66 S   HO   _H45    81     0.97070   110.19332    -0.00000
   68    50 S   CA   _C8_    57     1.39525   120.01123    14.07243
   69    68 S   HA   _H42    58     1.08741   119.79397    -0.00000
   70    62 S   SY   _S32    59     1.74889   120.84507   180.00000
   71    70 S   OY   _O22    60     1.45420   107.88161  -175.94344
   72    70 S   OY   _O23    61     1.45397   106.81709   -44.73770
   73    51 S   CA   _C9_    73     1.39496   120.07393   -71.90533
   74    73 S   HA   _H43    74     1.08779   119.74400    -0.16669
   75    65 S   SY   _S33    75     1.74976   120.84466   179.93147
   76    75 S   OY   _O24    76     1.45509   107.87944  -175.97761
   77    75 S   OY   _O25    77     1.45294   106.84691   -44.65765
   78    70 S   OS   _O29    62     1.63362   105.15053    70.04302
   79    78 S   HO   _H46    63     0.98604   115.32052  -173.89851
   80    75 S   OS   _O30    78     1.63484   105.09100    70.12963
   81    80 S   HO   _H47    79     0.98576   115.26795  -173.80558
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  16  11   9   4   6   2   3   2   7   2   1
  14  12  11   8   4   8   4   7   3   7   3   9   9   9   3   1
   9   3   1   5   1   4   3   2   5   1   4   3   2   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    47    48    42    46    49    50    51  
   38    39    44    47    48    49  
   36    37  
   37  
    0  
   39    40    41    44    47    48    42    43    46    49    50    52    68    51    54    73  
   40    41    44    45    47    42    43    46    49    50    51  
   41    44    45    47    48    42    43    46    49  
   44    45    47    42  
   43    46    49    50    51    44  
   46    49  
   45    47    48  
   47    48  
   49    50    52    68    51    54    73  
   48    49  
    0  
   50    52    53    56    62    68    69    51    54    55    58    65    73    74  
   52    53    56    57    60    62    68    69    70    51    54    73  
   54    55    58    59    61    65    73    74    75    52    68  
   53    56    57    60    62    68    69    63  
   56    57    60    68  
   55    58    59    61    65    73    74    66  
   58    59    61    73  
   57    60    62    68    70    63    64  
   60    62    63  
   59    61    65    73    75    66    67  
   61    65    66  
   62    68    69    70    71    72    78    63    64  
   65    73    74    75    76    77    80    66    67  
   68    69    70    71    72    78    79    63    64  
   64    68    70  
    0  
   73    74    75    76    77    80    81    66    67  
   67    73    75  
    0  
   69    70    71    72    78  
   70  
   71    72    78    79  
   72    78    79  
   78    79  
   74    75    76    77    80  
   75  
   76    77    80    81  
   77    80    81  
   80    81  
   79  
    0  
   81  
    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   3.5000   0.0660   0.211400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   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  -0.402333   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.153833   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.153833   2.0020   1.7750   0.023028004  -0.852763146
   48   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   49   3.5000   0.0660   0.402600   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.2500   1.302800   2.0025   1.7750   0.025682759  -1.666211680
   71   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   72   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.2500   1.302800   2.0025   1.7750   0.025682759  -1.666211680
   76   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   77   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9000   0.1400  -0.588100   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.431800   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.588100   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.431800   0.9960   0.8600   0.030040813  -0.651083722
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   245.000  1.990
   33    38   317.000  1.510
   33    47   317.000  1.510
   38    39   549.000  1.340
   38    49   317.000  1.510
   39    40   380.000  1.444
   39    42   320.000  1.462
   40    41   165.000  1.979
   40    44   380.000  1.444
   44    45   165.000  1.979
   44    47   549.000  1.340
   47    48   165.000  1.979
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    49   320.000  1.410
   49    50   317.000  1.510
   49    51   317.000  1.510
   50    52   469.000  1.400
   50    68   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    68   469.000  1.400
   62    70   225.000  1.779
   68    69   367.000  1.080
   70    71   735.000  1.471
   70    72   735.000  1.471
   70    78   335.000  1.682
   78    79   553.000  0.945
   63    64   553.000  0.945
   51    54   469.000  1.400
   51    73   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    65   469.000  1.400
   61    66   450.000  1.364
   65    73   469.000  1.400
   65    75   225.000  1.779
   73    74   367.000  1.080
   75    76   735.000  1.471
   75    77   735.000  1.471
   75    80   335.000  1.682
   80    81   553.000  0.945
   66    67   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    65.00000  111.00000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    49    65.00000  117.92700
   33    47    44    70.00000  124.00000
   33    47    48    70.00000  111.14000
   38    33    34    70.00000  109.00000
   38    39    40    70.00000  123.01800
   38    39    42    65.00000  118.96000
   38    49    46    85.00000  110.90400
   38    49    50    70.00000  112.99600
   38    49    51    70.00000  112.99600
   39    40    41    65.00000  115.01300
   39    40    44    70.00000  123.01800
   39    42    43    80.00000  123.72100
   39    42    46    90.00000  111.29400
   40    44    45    65.00000  115.01300
   40    44    47    70.00000  123.01800
   44    40    41    65.00000  115.01300
   44    47    48    65.00000  115.01300
   47    33    34    70.00000  109.00000
   47    33    38    70.00000  110.12100
   47    44    45    65.00000  115.01300
   42    39    40    65.00000  118.96000
   42    46    49    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    49    50    85.00000  111.85700
   46    49    51    85.00000  111.85700
   49    38    39    70.00000  124.00000
   49    50    52    70.00000  120.00000
   49    50    68    70.00000  120.00000
   49    51    54    70.00000  120.00000
   49    51    73    70.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    56    63.00000  120.00000
   50    68    62    63.00000  120.00000
   50    68    69    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    60    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    60    62    63.00000  120.00000
   56    60    63    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    62    68    63.00000  120.00000
   60    62    70    65.00000  117.06700
   60    63    64    35.00000  113.00000
   62    68    69    35.00000  120.00000
   62    70    71   100.00000  107.67100
   62    70    72   100.00000  107.67100
   62    70    78   115.00000   98.04500
   68    50    52    63.00000  120.00000
   70    62    68    65.00000  117.06700
   70    78    79    65.00000  110.03400
   72    70    71   115.00000  120.17200
   78    70    71   135.00000  106.70400
   78    70    72   135.00000  106.70400
   63    60    62    70.00000  120.00000
   51    49    50    70.00000  112.04700
   51    54    55    35.00000  120.00000
   51    54    58    63.00000  120.00000
   51    73    65    63.00000  120.00000
   51    73    74    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    61    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    61    65    63.00000  120.00000
   58    61    66    70.00000  120.00000
   61    58    59    35.00000  120.00000
   61    65    73    63.00000  120.00000
   61    65    75    65.00000  117.06700
   61    66    67    35.00000  113.00000
   65    73    74    35.00000  120.00000
   65    75    76   100.00000  107.67100
   65    75    77   100.00000  107.67100
   65    75    80   115.00000   98.04500
   73    51    54    63.00000  120.00000
   75    65    73    65.00000  117.06700
   75    80    81    65.00000  110.03400
   77    75    76   115.00000  120.17200
   80    75    76   135.00000  106.70400
   80    75    77   135.00000  106.70400
   66    61    65    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    49   0.30250  1.0 1.0
   29    33    38    49  -0.14950 -1.0 2.0
   29    33    38    49   0.36900  1.0 3.0
   29    33    47    44   0.42700  1.0 1.0
   29    33    47    44  -0.70350 -1.0 2.0
   29    33    47    44  -0.43150  1.0 3.0
   29    33    47    48   0.09700  1.0 1.0
   29    33    47    48   0.15600 -1.0 2.0
   29    33    47    48  -0.50800  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    49    46   0.09700  1.0 1.0
   33    38    49    46   0.15600 -1.0 2.0
   33    38    49    46  -0.50800  1.0 3.0
   33    38    49    50   0.09700  1.0 1.0
   33    38    49    50   0.15600 -1.0 2.0
   33    38    49    50  -0.50800  1.0 3.0
   33    38    49    51   0.09700  1.0 1.0
   33    38    49    51   0.15600 -1.0 2.0
   33    38    49    51  -0.50800  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    49   0.09700  1.0 1.0
   34    33    38    49   0.15600 -1.0 2.0
   34    33    38    49  -0.50800  1.0 3.0
   34    33    47    44   0.09700  1.0 1.0
   34    33    47    44   0.15600 -1.0 2.0
   34    33    47    44  -0.50800  1.0 3.0
   34    33    47    48   0.09700  1.0 1.0
   34    33    47    48   0.15600 -1.0 2.0
   34    33    47    48  -0.50800  1.0 3.0
   38    33    47    44  -0.28300  1.0 1.0
   38    33    47    44   0.26700 -1.0 2.0
   38    33    47    44  -0.63300  1.0 3.0
   38    33    47    48   0.09700  1.0 1.0
   38    33    47    48   0.15600 -1.0 2.0
   38    33    47    48  -0.50800  1.0 3.0
   38    39    40    41  -0.18600  1.0 3.0
   38    39   -40    44   0.28850  1.0 1.0
   38    39   -40    44   2.61350 -1.0 2.0
   38    39   -40    44   0.78400  1.0 3.0
   38    39    42    43   1.00000 -1.0 2.0
   38    39   -42    46  -0.56150  1.0 1.0
   38    39   -42    46   2.19150 -1.0 2.0
   38    49    50    52   0.18050 -1.0 2.0
   38    49    50    68   0.18050 -1.0 2.0
   38    49    51    54   0.18050 -1.0 2.0
   38    49    51    73   0.18050 -1.0 2.0
   39    38   -49    46   0.39000  1.0 1.0
   39    38   -49    46  -0.05800 -1.0 2.0
   39    38   -49    46  -0.55150  1.0 3.0
   39    38    49    50   1.44450  1.0 1.0
   39    38    49    50   0.06600 -1.0 2.0
   39    38    49    50   0.29250  1.0 3.0
   39    38    49    51   1.44450  1.0 1.0
   39    38    49    51   0.06600 -1.0 2.0
   39    38    49    51   0.29250  1.0 3.0
   39    40    44    45  -0.18600  1.0 3.0
   39    40    44    47   0.28850  1.0 1.0
   39    40    44    47   2.61350 -1.0 2.0
   39    40    44    47   0.78400  1.0 3.0
   39    42   -46    49   2.00000 -1.0 2.0
   40    39    42    43   1.00000 -1.0 2.0
   40    39    42    46  -0.56150  1.0 1.0
   40    39    42    46   2.19150 -1.0 2.0
   40    44   -47    33   7.00000 -1.0 2.0
   40    44    47    48   7.00000 -1.0 2.0
   41    40    44    45   1.08500 -1.0 2.0
   41    40    44    47  -0.18600  1.0 3.0
   45    44    47    33   7.00000 -1.0 2.0
   45    44    47    48   7.00000 -1.0 2.0
   47    33   -38    39  -0.28300  1.0 1.0
   47    33   -38    39   0.26700 -1.0 2.0
   47    33   -38    39  -0.63300  1.0 3.0
   47    33    38    49   0.09700  1.0 1.0
   47    33    38    49   0.15600 -1.0 2.0
   47    33    38    49  -0.50800  1.0 3.0
   42    39    40    41   1.08500 -1.0 2.0
   42    39    40    44  -0.18600  1.0 3.0
   42    46   -49    38  -0.82050  1.0 1.0
   42    46   -49    38   0.00600 -1.0 2.0
   42    46   -49    38   0.04400  1.0 3.0
   42    46    49    50  -0.43900 -1.0 2.0
   42    46    49    50   0.14100  1.0 3.0
   42    46    49    51  -0.43900 -1.0 2.0
   42    46    49    51   0.14100  1.0 3.0
   43    42    46    49   3.00000 -1.0 2.0
   46    49    50    52   0.64500  1.0 1.0
   46    49    50    52   0.14800 -1.0 2.0
   46    49    50    52   0.20650  1.0 3.0
   46    49    50    68   0.64500  1.0 1.0
   46    49    50    68   0.14800 -1.0 2.0
   46    49    50    68   0.20650  1.0 3.0
   46    49    51    54   0.64500  1.0 1.0
   46    49    51    54   0.14800 -1.0 2.0
   46    49    51    54   0.20650  1.0 3.0
   46    49    51    73   0.64500  1.0 1.0
   46    49    51    73   0.14800 -1.0 2.0
   46    49    51    73   0.20650  1.0 3.0
   49    38    39    40   7.00000 -1.0 2.0
   49    38   -39    42   7.00000 -1.0 2.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    56   3.62500 -1.0 2.0
   49    50    68    62   3.62500 -1.0 2.0
   49    50    68    69   3.62500 -1.0 2.0
   49    51    54    55   3.62500 -1.0 2.0
   49    51    54    58   3.62500 -1.0 2.0
   49    51    73    65   3.62500 -1.0 2.0
   49    51    73    74   3.62500 -1.0 2.0
   50    49    51    54   0.04300 -1.0 2.0
   50    49    51    73   0.04300 -1.0 2.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    60   3.62500 -1.0 2.0
   52    50    68    62   3.62500 -1.0 2.0
   52    50    68    69   3.62500 -1.0 2.0
   52    56   -60    62   3.62500 -1.0 2.0
   52    56    60    63   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    60   3.62500 -1.0 2.0
   56    60    62    68   3.62500 -1.0 2.0
   56    60    62    70   3.62500 -1.0 2.0
   56    60    63    64   0.84100 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    62   -68    50   3.62500 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    70    71   0.19500  1.0 1.0
   60    62    70    71   0.12000 -1.0 2.0
   60    62    70    72   0.19500  1.0 1.0
   60    62    70    72   0.12000 -1.0 2.0
   60    62    70    78   0.00000  1.0 1.0
   62    60    63    64   0.84100 -1.0 2.0
   62    70    78    79   0.00000  1.0 1.0
   68    50    52    53   3.62500 -1.0 2.0
   68    50   -52    56   3.62500 -1.0 2.0
   68    62    70    71   0.19500  1.0 1.0
   68    62    70    71   0.12000 -1.0 2.0
   68    62    70    72   0.19500  1.0 1.0
   68    62    70    72   0.12000 -1.0 2.0
   68    62    70    78   0.00000  1.0 1.0
   70    62    68    50   3.62500 -1.0 2.0
   70    62    68    69   3.62500 -1.0 2.0
   71    70    78    79   0.67600  1.0 1.0
   71    70    78    79   0.52900 -1.0 2.0
   71    70    78    79   0.12800  1.0 3.0
   72    70    78    79   0.67600  1.0 1.0
   72    70    78    79   0.52900 -1.0 2.0
   72    70    78    79   0.12800  1.0 3.0
   63    60    62    68   3.62500 -1.0 2.0
   63    60    62    70   3.62500 -1.0 2.0
   51    49    50    52   0.04300 -1.0 2.0
   51    49    50    68   0.04300 -1.0 2.0
   51    54    58    59   3.62500 -1.0 2.0
   51    54    58    61   3.62500 -1.0 2.0
   54    51    73    65   3.62500 -1.0 2.0
   54    51    73    74   3.62500 -1.0 2.0
   54    58   -61    65   3.62500 -1.0 2.0
   54    58    61    66   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    61    65    73   3.62500 -1.0 2.0
   58    61    65    75   3.62500 -1.0 2.0
   58    61    66    67   0.84100 -1.0 2.0
   59    58    61    65   3.62500 -1.0 2.0
   59    58    61    66   3.62500 -1.0 2.0
   61    65   -73    51   3.62500 -1.0 2.0
   61    65    73    74   3.62500 -1.0 2.0
   61    65    75    76   0.19500  1.0 1.0
   61    65    75    76   0.12000 -1.0 2.0
   61    65    75    77   0.19500  1.0 1.0
   61    65    75    77   0.12000 -1.0 2.0
   61    65    75    80   0.00000  1.0 1.0
   65    61    66    67   0.84100 -1.0 2.0
   65    75    80    81   0.00000  1.0 1.0
   73    51    54    55   3.62500 -1.0 2.0
   73    51   -54    58   3.62500 -1.0 2.0
   73    65    75    76   0.19500  1.0 1.0
   73    65    75    76   0.12000 -1.0 2.0
   73    65    75    77   0.19500  1.0 1.0
   73    65    75    77   0.12000 -1.0 2.0
   73    65    75    80   0.00000  1.0 1.0
   75    65    73    51   3.62500 -1.0 2.0
   75    65    73    74   3.62500 -1.0 2.0
   76    75    80    81   0.67600  1.0 1.0
   76    75    80    81   0.52900 -1.0 2.0
   76    75    80    81   0.12800  1.0 3.0
   77    75    80    81   0.67600  1.0 1.0
   77    75    80    81   0.52900 -1.0 2.0
   77    75    80    81   0.12800  1.0 3.0
   66    61    65    73   3.62500 -1.0 2.0
   66    61    65    75   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    49    38    39   1.10000 -1.0 2.0
   40    42    39    38   1.10000 -1.0 2.0
   40    45    44    47   1.10000 -1.0 2.0
   33    48    47    44   1.10000 -1.0 2.0
   39    46    42    43  10.50000 -1.0 2.0
   52    68    50    49   4.00000 -1.0 2.0
   56    53    52    50   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   62    63    60    56   4.00000 -1.0 2.0
   68    70    62    60   4.00000 -1.0 2.0
   62    69    68    50   1.10000 -1.0 2.0
   54    73    51    49   4.00000 -1.0 2.0
   58    55    54    51   1.10000 -1.0 2.0
   61    59    58    54   1.10000 -1.0 2.0
   65    66    61    58   4.00000 -1.0 2.0
   73    75    65    61   4.00000 -1.0 2.0
   65    74    73    51   1.10000 -1.0 2.0
END
