* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    170    257     502
    1     0 S   NP   _N1_     1    30.14080    97.94352   -16.82526
    2     1 S   H    _HN1     2     1.02955    67.62411     3.99454
    3     1 S   H    _H1_     3     1.02833    64.79824   127.02225
    4     1 S   H    _H2_     4     1.02784    74.28183  -113.98451
    5     1 S   CT   _CA1     5     1.50131   173.36641    78.08250
    6     5 S   HC   _HA1     6     1.09544   105.20853   106.27598
    7     5 S   CO3  _C1_     7     1.53824   112.21203   -14.07872
    8     7 S   O2Z  _O11     8     1.26366   115.01863   -45.54464
    9     7 S   O2Z  _O12     9     1.26189   114.96878   133.33978
   10     5 S   CT   _CB1    10     1.53045   107.39833  -135.65436
   11    10 S   HC   HB11    11     1.09832   109.59917   -48.14559
   12    10 S   HC   HB12    12     1.09815   110.33643    68.46886
   13    10 S   CT   _CG1    13     1.52969   112.62451  -169.05976
   14    13 S   HC   HG11    14     1.09584   110.66696   -61.01951
   15    13 S   HC   HG12    15     1.09580   109.87616    58.36036
   16    13 S   C    _CD1    16     1.51749   112.10254   178.64145
   17    16 S   O    _OE1    17     1.22735   123.28275     2.68110
   18    16 S   N    _N2_    18     1.38530   111.66143  -177.62587
   19    18 S   H    _HN2    19     1.01605   119.01214     2.96372
   20    18 S   CT1  _CA2    20     1.46187   123.40102  -178.26867
   21    20 S   HC   _HA2    21     1.09740   109.43528    -2.89476
   22    20 S   C    _C2_    22     1.53365   108.58359  -118.34416
   23    22 S   O    _O2_    23     1.23014   122.44675  -145.88440
   24    20 S   CT   _CB2    32     1.53202   111.05454   118.90327
   25    24 S   HC   HB21    33     1.09519   109.89107    55.38097
   26    24 S   HC   HB22    34     1.09507   110.73263   173.68714
   27    22 S   N    _N3_    24     1.38376   113.34915    41.71209
   28    27 S   H    _HN3    25     1.01609   119.32235    -3.01519
   29    24 S   S    _SG2    35     1.83205   111.32167   -67.54817
   30    27 S   CT   _CA3    26     1.45328   123.50217   176.62211
   31    30 S   HC   HA31    27     1.09522   107.13629   -79.85605
   32    30 S   HC   HA32    28     1.09518   108.69696    36.76729
   33    29 S   CT   _C19    36     1.86280    99.97419   136.95950
   34    33 S   HC   _H7_    37     1.09935   105.34717    31.97148
   35    30 S   CO3  _C3_    29     1.52979   113.89798   159.60234
   36    35 S   O2Z  _O31    30     1.26373   116.04299    10.65841
   37    35 S   O2Z  _O32    31     1.26414   114.44376  -169.33033
   38    33 S   CT   _C18    38     1.55773   105.64511   -82.77633
   39    38 S   HC   _H23    39     1.09564   110.39050   -72.46833
   40    38 S   HC   _H24    40     1.09403   109.02663    43.01034
   41    33 S   CT   _C20    80     1.57892   111.59973   149.14193
   42    41 S   OM   _O33    81     1.32422   109.12330  -165.77193
   43    38 S   CT   _C17    41     1.53570   114.26180   163.09657
   44    43 S   HC   _H21    42     1.09502   109.32179   -44.57442
   45    43 S   HC   _H22    43     1.09595   109.17323    70.67921
   46    41 S   CT   _C21    82     1.55085   112.21999   -49.21259
   47    46 S   HC   _H25    83     1.09825   111.75191   -49.95178
   48    46 S   HC   _H26    84     1.09576   111.83593    70.88248
   49    46 S   HC   _H27    85     1.09946   112.16132  -170.24714
   50    41 S   CT   _C22    86     1.54167   113.12062    74.07888
   51    50 S   HC   _H28    87     1.09718   112.70057    63.51142
   52    50 S   HC   _H29    88     1.09572   111.27039   -57.44495
   53    50 S   HC   _H30    89     1.09879   111.70265  -176.65895
   54    43 S   CT   _C15    44     1.55244   115.34565  -168.53169
   55    54 S   HC   _H6_    45     1.09891   106.26304   179.92598
   56    54 S   CT   _C12    46     1.56654   115.28214    60.60218
   57    56 S   HC   _H5_    47     1.09859   106.44173   -75.15616
   58    54 S   CT   _C16    76     1.54021   109.04426   -65.05936
   59    58 S   HC   _H18    77     1.09497   111.45129    72.50338
   60    58 S   HC   _H19    78     1.09311   111.98158  -166.87311
   61    58 S   HC   _H20    79     1.09553   110.82783   -47.80268
   62    56 S   CT   _C13    48     1.54966   111.57887   167.36754
   63    62 S   HC   _H14    49     1.09453   111.51415    21.66325
   64    62 S   HC   _H15    50     1.09611   111.21217   -94.42893
   65    56 S   CT   _C11    64     1.55339   113.97012    42.93478
   66    65 S   HC   _H4_    65     1.09551   108.48991   -69.90269
   67    62 S   CT   _C14    51     1.53369   112.78889   142.10441
   68    67 S   HC   _H16    52     1.09765   106.21114   -78.50064
   69    67 S   HC   _H17    53     1.09739   108.55870   167.96163
   70    65 S   OH   _O34    66     1.43594   109.28658    45.52617
   71    70 S   HO   _H31    67     0.97132   108.47162    61.29506
   72    67 S   CM   _C5_    54     1.51514   119.38497    42.88458
   73    72 S   CM   _C6_    55     1.34871   125.29797    15.03041
   74    72 S   CT   _C4_    72     1.51123   112.54487  -164.66081
   75    74 S   HC   _H8_    73     1.09516   109.90533   -61.64280
   76    74 S   HC   _H9_    74     1.09299   113.66165   177.88123
   77    74 S   HC   _H10    75     1.09476   110.23452    57.65460
   78    73 S   CT   _C7_    56     1.51328   124.76621  -179.41283
   79    78 S   HC   _H11    57     1.09309   110.72471    65.02727
   80    78 S   HC   _H12    58     1.09470   111.38314   -57.68174
   81    78 S   CM   _C8_    59     1.49136   104.94548  -176.19265
   82    81 S   HC   _H13    60     1.08093   123.28837   178.90783
   83    81 S   CM   _C9_    61     1.33898   111.90436    -0.02798
   84    73 S   CT   _C10    62     1.52230   127.23940     4.53855
   85    84 S   HC   _H3_    63     1.09929   108.26900    63.27442
   86    83 S   CT   _C23    68     1.48822   125.71692   177.74241
   87    86 S   HC   _H32    69     1.09398   110.81787   114.61586
   88    86 S   HC   _H33    70     1.09513   111.49017    -5.21579
   89    86 S   HC   _H34    71     1.09439   110.38254  -124.86107
  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
  18   8   2   1   1  13   6   5  10   8  12   5   4   7   3   2
   1   3   2   1   1  15   8  20   9   5   2   1   1  12   6   5
  12   6  10   4   3   5   1  12  13   5   2   1   1   8   5   4
   8   3   6   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    54    41    42    46    47    48    49    50    51    52    53  
   38    39    40    43    41    42    46    50  
   36    37  
   37  
    0  
   39    40    43    44    45    54    55    56    58    41    42    46    50  
   40    43    44    45    54    41  
   43    44    45    54    41  
   42    46    47    48    49    50    51    52    53    43  
   46    47    48    49    50    51    52    53  
   44    45    54    55    56    57    62    65    58    59    60    61  
   45    54    55    56    58  
   54    55    56    58  
   47    48    49    50    51    52    53  
   48    49    50  
   49    50  
   50  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    62    63    64    67    84    65    66    70    58    59    60    61  
   56    57    62    65    58    59    60    61  
   57    62    63    64    67    68    69    72    73    83    84    85    65    66    70    71    58    59    60    61  
   62    63    64    67    84    65    66    70    58  
   59    60    61    62    65  
   60    61  
   61  
    0  
   63    64    67    68    69    72    73    84    65    66    70    74  
   64    67    68    69    72    65  
   67    68    69    72    65  
   66    70    71    86    67    72    73    78    81    83    84    85  
   70    71    73    83    84    85  
   68    69    72    73    78    84    74    75    76    77  
   69    72    73    74  
   72    73    74  
   71    73    83    84    85  
   84  
   73    78    79    80    81    83    84    85    74    75    76    77  
   78    79    80    81    82    83    84    85    86    74    75    76    77  
   75    76    77    78    84  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89  
   83    84    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86  
   87    88    89  
   88    89  
   89  
    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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.510
   72    73   549.000  1.340
   72    74   317.000  1.510
   73    78   317.000  1.510
   73    84   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.510
   81    82   340.000  1.080
   81    83   549.000  1.340
   83    84   317.000  1.510
   83    86   317.000  1.510
   84    85   340.000  1.090
   84    65   268.000  1.529
   65    66   340.000  1.090
   65    70   320.000  1.410
   70    71   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   570.000  1.307
   41    46   268.000  1.529
   41    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   33    41    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    54    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    54    55    37.50000  110.70000
   43    54    56    58.35000  112.70000
   43    54    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   54    43    44    37.50000  110.70000
   54    43    45    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    58.35000  112.70000
   54    56    65    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    67    58.35000  112.70000
   56    65    84    58.35000  112.70000
   56    65    66    37.50000  110.70000
   56    65    70    50.00000  109.50000
   62    56    57    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    72    70.00000  112.02700
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    72    73    70.00000  124.00000
   67    72    74    65.00000  117.92700
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    78    70.00000  124.00000
   72    73    84    70.00000  124.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    70.00000  110.12100
   73    84    83    70.00000  110.12100
   73    84    85    35.00000  109.50000
   73    84    65    70.00000  112.02700
   78    81    82    35.00000  117.00000
   78    81    83    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    83    84    70.00000  124.00000
   81    83    86    70.00000  124.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    65    70.00000  112.02700
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   84    73    78    65.00000  117.92700
   84    65    66    37.50000  110.70000
   84    65    70    50.00000  109.50000
   65    56    57    37.50000  110.70000
   65    56    62    58.35000  112.70000
   65    84    85    37.50000  110.70000
   65    70    71    55.00000  108.50000
   70    65    66    35.00000  109.50000
   86    83    84    65.00000  117.92700
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   74    72    73    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    53    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    41    42    50.00000  109.50000
   50    41    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    41    50   0.44750  1.0 1.0
   29    33    41    50  -0.17800 -1.0 2.0
   29    33    41    50   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    54   0.56750  1.0 1.0
   33    38    43    54  -0.07550 -1.0 2.0
   33    38    43    54   0.20000  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   33    41    50    51   0.15000  1.0 3.0
   33    41    50    52   0.15000  1.0 3.0
   33    41    50    53   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   34    33    41    50   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    33    41    50   0.56750  1.0 1.0
   38    33    41    50  -0.07550 -1.0 2.0
   38    33    41    50   0.20000  1.0 3.0
   38    43    54    55   0.15000  1.0 3.0
   38    43    54    56   0.56750  1.0 1.0
   38    43    54    56  -0.07550 -1.0 2.0
   38    43    54    56   0.20000  1.0 3.0
   38    43    54    58   0.56750  1.0 1.0
   38    43    54    58  -0.07550 -1.0 2.0
   38    43    54    58   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    54   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    54   0.15000  1.0 3.0
   43    54    56    57   0.15000  1.0 3.0
   43    54    56    62   0.56750  1.0 1.0
   43    54    56    62  -0.07550 -1.0 2.0
   43    54    56    62   0.20000  1.0 3.0
   43    54    56    65   0.56750  1.0 1.0
   43    54    56    65  -0.07550 -1.0 2.0
   43    54    56    65   0.20000  1.0 3.0
   43    54    58    59   0.15000  1.0 3.0
   43    54    58    60   0.15000  1.0 3.0
   43    54    58    61   0.15000  1.0 3.0
   44    43    54    55   0.15000  1.0 3.0
   44    43    54    56   0.15000  1.0 3.0
   44    43    54    58   0.15000  1.0 3.0
   45    43    54    55   0.15000  1.0 3.0
   45    43    54    56   0.15000  1.0 3.0
   45    43    54    58   0.15000  1.0 3.0
   54    56    62    63   0.15000  1.0 3.0
   54    56    62    64   0.15000  1.0 3.0
   54    56    62    67   0.56750  1.0 1.0
   54    56    62    67  -0.07550 -1.0 2.0
   54    56    62    67   0.20000  1.0 3.0
   54    56    65    84   0.56750  1.0 1.0
   54    56    65    84  -0.07550 -1.0 2.0
   54    56    65    84   0.20000  1.0 3.0
   54    56    65    66   0.15000  1.0 3.0
   54    56    65    70   0.86500  1.0 1.0
   54    56    65    70  -0.17500 -1.0 2.0
   54    56    65    70   0.20800  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    62   0.15000  1.0 3.0
   55    54    56    65   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    61   0.15000  1.0 3.0
   56    62    67    68   0.15000  1.0 3.0
   56    62    67    69   0.15000  1.0 3.0
   56    62    67    72   0.34400  1.0 1.0
   56    62    67    72   0.09450 -1.0 2.0
   56    62    67    72   0.11100  1.0 3.0
   56    65    70    71  -0.11600  1.0 1.0
   56    65    70    71  -0.09450 -1.0 2.0
   56    65    70    71   0.21250  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    65    84   0.15000  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    70   0.23400  1.0 3.0
   62    56    65    84   0.56750  1.0 1.0
   62    56    65    84  -0.07550 -1.0 2.0
   62    56    65    84   0.20000  1.0 3.0
   62    56    65    66   0.15000  1.0 3.0
   62    56    65    70   0.86500  1.0 1.0
   62    56    65    70  -0.17500 -1.0 2.0
   62    56    65    70   0.20800  1.0 3.0
   62    67    72    73   0.09850  1.0 1.0
   62    67    72    73   0.15250 -1.0 2.0
   62    67    72    73  -0.50650  1.0 3.0
   62    67    72    74   0.46850  1.0 1.0
   62    67    72    74   0.08550 -1.0 2.0
   62    67    72    74   0.09800  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    72   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    72   0.15000  1.0 3.0
   67    72    73    78   7.00000 -1.0 2.0
   67    72    73    84   7.00000 -1.0 2.0
   67    72    74    75   0.34800  1.0 3.0
   67    72    74    76   0.34800  1.0 3.0
   67    72    74    77   0.34800  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.34800  1.0 3.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    74   0.34800  1.0 3.0
   72    73    78    79   0.00000  1.0 1.0
   72    73    78    80   0.00000  1.0 1.0
   72    73    78    81  -0.28300  1.0 1.0
   72    73    78    81   0.26700 -1.0 2.0
   72    73    78    81  -0.63300  1.0 3.0
   72    73    84    83  -0.28300  1.0 1.0
   72    73    84    83   0.26700 -1.0 2.0
   72    73    84    83  -0.63300  1.0 3.0
   72    73    84    85   0.00000  1.0 1.0
   72    73    84    65   0.09850  1.0 1.0
   72    73    84    65   0.15250 -1.0 2.0
   72    73    84    65  -0.50650  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.00000  1.0 1.0
   73    78    81    82   0.00000  1.0 1.0
   73    78   -81    83  -0.28300  1.0 1.0
   73    78   -81    83   0.26700 -1.0 2.0
   73    78   -81    83  -0.63300  1.0 3.0
   73    84    65    56   0.34400  1.0 1.0
   73    84    65    56   0.09450 -1.0 2.0
   73    84    65    56   0.11100  1.0 3.0
   73    84    65    66   0.15000  1.0 3.0
   73    84    65    70   1.05650  1.0 1.0
   73    84    65    70   0.15600 -1.0 2.0
   73    84    65    70   0.53150  1.0 3.0
   78    73   -84    83   0.09700  1.0 1.0
   78    73   -84    83   0.15600 -1.0 2.0
   78    73   -84    83  -0.50800  1.0 3.0
   78    73    84    85   0.34800  1.0 3.0
   78    73    84    65   0.46850  1.0 1.0
   78    73    84    65   0.08550 -1.0 2.0
   78    73    84    65   0.09800  1.0 3.0
   78    81   -83    84   7.00000 -1.0 2.0
   78    81    83    86   7.00000 -1.0 2.0
   79    78    81    82   0.33100  1.0 3.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.33100  1.0 3.0
   80    78    81    83   0.00000  1.0 1.0
   81    83   -84    73  -0.28300  1.0 1.0
   81    83   -84    73   0.26700 -1.0 2.0
   81    83   -84    73  -0.63300  1.0 3.0
   81    83    84    85   0.00000  1.0 1.0
   81    83    84    65   0.09850  1.0 1.0
   81    83    84    65   0.15250 -1.0 2.0
   81    83    84    65  -0.50650  1.0 3.0
   81    83    86    87   0.00000  1.0 1.0
   81    83    86    88   0.00000  1.0 1.0
   81    83    86    89   0.00000  1.0 1.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    86   7.00000 -1.0 2.0
   83    84    65    56   0.34400  1.0 1.0
   83    84    65    56   0.09450 -1.0 2.0
   83    84    65    56   0.11100  1.0 3.0
   83    84    65    66   0.15000  1.0 3.0
   83    84    65    70   1.05650  1.0 1.0
   83    84    65    70   0.15600 -1.0 2.0
   83    84    65    70   0.53150  1.0 3.0
   84    73    78    79   0.34800  1.0 3.0
   84    73    78    80   0.34800  1.0 3.0
   84    73   -78    81   0.09700  1.0 1.0
   84    73   -78    81   0.15600 -1.0 2.0
   84    73   -78    81  -0.50800  1.0 3.0
   84    83    86    87   0.34800  1.0 3.0
   84    83    86    88   0.34800  1.0 3.0
   84    83    86    89   0.34800  1.0 3.0
   84    65    70    71  -0.11600  1.0 1.0
   84    65    70    71  -0.09450 -1.0 2.0
   84    65    70    71   0.21250  1.0 3.0
   85    84    65    56   0.15000  1.0 3.0
   85    84    65    66   0.15000  1.0 3.0
   85    84    65    70   0.23400  1.0 3.0
   65    56    62    63   0.15000  1.0 3.0
   65    56    62    64   0.15000  1.0 3.0
   65    56    62    67   0.56750  1.0 1.0
   65    56    62    67  -0.07550 -1.0 2.0
   65    56    62    67   0.20000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   86    83    84    73   0.09700  1.0 1.0
   86    83    84    73   0.15600 -1.0 2.0
   86    83    84    73  -0.50800  1.0 3.0
   86    83    84    85   0.34800  1.0 3.0
   86    83    84    65   0.46850  1.0 1.0
   86    83    84    65   0.08550 -1.0 2.0
   86    83    84    65   0.09800  1.0 3.0
   74    72    73    78   7.00000 -1.0 2.0
   74    72    73    84   7.00000 -1.0 2.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62   0.56750  1.0 1.0
   58    54    56    62  -0.07550 -1.0 2.0
   58    54    56    62   0.20000  1.0 3.0
   58    54    56    65   0.56750  1.0 1.0
   58    54    56    65  -0.07550 -1.0 2.0
   58    54    56    65   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   42    41    50    51   0.23400  1.0 3.0
   42    41    50    52   0.23400  1.0 3.0
   42    41    50    53   0.23400  1.0 3.0
   46    41    50    51   0.15000  1.0 3.0
   46    41    50    52   0.15000  1.0 3.0
   46    41    50    53   0.15000  1.0 3.0
   50    41    46    47   0.15000  1.0 3.0
   50    41    46    48   0.15000  1.0 3.0
   50    41    46    49   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   67    74    72    73   1.10000 -1.0 2.0
   78    84    73    72   1.10000 -1.0 2.0
   78    82    81    83   1.10000 -1.0 2.0
   84    86    83    81   1.10000 -1.0 2.0
END
