* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    152    247     449
    1     0 S   NP   _N1_     1    28.78234    93.85658   -21.58948
    2     1 S   H    _HN1     2     1.02751    95.00498   -79.18479
    3     1 S   H    _H1_     3     1.02984    94.96245    29.66792
    4     1 S   H    _H2_     4     1.02822    22.35516   153.81526
    5     1 S   CT   _CA1     5     1.50192   133.13901   153.60377
    6     5 S   HC   _HA1     6     1.09582   105.22914    59.10329
    7     5 S   CO3  _C1_     7     1.53767   112.43432   -60.92678
    8     7 S   O2Z  _O11     8     1.26346   115.04555   -41.80844
    9     7 S   O2Z  _O12     9     1.26259   114.91345   137.28956
   10     5 S   CT   _CB1    10     1.53016   107.27184   176.79912
   11    10 S   HC   HB11    11     1.09749   108.97047   -52.89601
   12    10 S   HC   HB12    12     1.09831   110.41903    63.45615
   13    10 S   CT   _CG1    13     1.53014   113.08536  -174.08361
   14    13 S   HC   HG11    14     1.09586   110.24457   -64.11025
   15    13 S   HC   HG12    15     1.09622   110.27100    55.21549
   16    13 S   C    _CD1    16     1.51790   111.94543   175.17643
   17    16 S   O    _OE1    17     1.22733   123.07940   -13.87932
   18    16 S   N    _N2_    18     1.38655   111.95045   167.05420
   19    18 S   H    _HN2    19     1.01568   119.25438     1.10110
   20    18 S   CT1  _CA2    20     1.46081   122.94178  -178.30892
   21    20 S   HC   _HA2    21     1.09468   108.93372   -12.19940
   22    20 S   C    _C2_    22     1.53391   108.84870  -127.28505
   23    22 S   O    _O2_    23     1.23031   122.13714  -147.54937
   24    20 S   CT   _CB2    32     1.53508   111.81206   110.19542
   25    24 S   HC   HB21    33     1.09679   109.22908    62.66936
   26    24 S   HC   HB22    34     1.09487   111.15895   179.50032
   27    22 S   N    _N3_    24     1.38480   113.45110    39.88430
   28    27 S   H    _HN3    25     1.01536   118.88502    -0.61006
   29    24 S   S    _SG2    35     1.82967   114.74419   -56.33128
   30    27 S   CT   _CA3    26     1.45432   123.47973   175.27698
   31    30 S   HC   HA31    27     1.09519   109.35905    22.92017
   32    30 S   HC   HA32    28     1.09502   107.12243   139.89463
   33    29 S   CT   _C28    36     1.85124   100.94435   -71.77300
   34    33 S   HC   _H3_    37     1.08914   104.80712    46.45293
   35    30 S   CO3  _C3_    29     1.52884   112.89885  -100.63693
   36    35 S   O2Z  _O31    30     1.26409   115.26881   -49.48707
   37    35 S   O2Z  _O32    31     1.26336   115.07381   131.43250
   38    33 S   CA   _C18    38     1.52253   111.60996   -74.64504
   39    33 S   CM   _C24    49     1.51596   108.23743   161.25580
   40    39 S   HC   _H46    50     1.09198   115.80166    36.20504
   41    38 S   CA   _C12    39     1.41121   119.51183   -64.78000
   42    41 S   HA   _H42    40     1.08844   120.30024     0.14935
   43    39 S   CMA  _C25    51     1.35588   127.53427  -141.70506
   44    43 S   OM   _O29    52     1.26107   126.82663   177.19565
   45    41 S   CA   _C14    41     1.39611   121.56515  -179.75611
   46    45 S   HA   _H44    42     1.08660   119.38863   180.00000
   47    43 S   NE   _N28    53     1.39446   120.78438    -4.40327
   48    47 S   H    _H52    54     1.01440   115.57467    -3.53646
   49    45 S   CA   _C20    43     1.38978   119.59318     0.06853
   50    49 S   Cl   CL32    44     1.72169   119.81487  -179.97202
   51    47 S   CT1  _C26    55     1.46312   130.09946   167.02577
   52    51 S   HC   _H47    56     1.09622   109.01097    33.61946
   53    49 S   CA   _C15    45     1.39240   120.33957    -0.00000
   54    53 S   HA   _H45    46     1.08788   119.88176   180.00000
   55    51 S   C    _C23    57     1.53401   108.16848   151.23534
   56    55 S   O    _O30    58     1.23515   120.88794    16.94850
   57    51 S   NI   _N26    82     1.45664   113.62372   -92.87461
   58    38 S   CA   _C21    47     1.40861   122.89922   115.60977
   59    58 S   Cl   CL33    48     1.72991   122.49154    -0.51129
   60    55 S   N    _N27    59     1.40531   116.07375  -160.72969
   61    60 S   CA   _C19    60     1.43686   124.11723    -8.48295
   62    60 S   CT   _C27    83     1.46209   117.77830   168.66805
   63    62 S   HC   _H48    84     1.09439   109.00086   -96.60407
   64    62 S   HC   _H49    85     1.09463   110.30753   141.69911
   65    62 S   HC   _H50    86     1.09401   111.14581    22.20983
   66    61 S   CA   _C13    61     1.40852   119.39048   148.54267
   67    66 S   HA   _H43    62     1.08712   121.29462    -0.26170
   68    66 S   CA   _C8_    63     1.39757   121.52909  -177.75319
   69    68 S   HA   _H38    64     1.08647   119.87514   178.82780
   70    68 S   CA   _C7_    65     1.38835   120.10723    -0.27766
   71    70 S   HA   _H37    66     1.08601   120.20061   179.26087
   72    70 S   CA   _C11    67     1.39144   119.65007    -1.23131
   73    72 S   HA   _H41    68     1.08755   118.49308  -179.39802
   74    61 S   CA   _C17    69     1.40993   123.07610   -32.04306
   75    74 S   CD   _C22    70     1.49128   122.27862    -6.12218
   76    75 S   CA   _C16    71     1.49408   119.24513  -131.58393
   77    76 S   CA   _C9_    72     1.40048   119.17308  -145.31574
   78    77 S   HA   _H39    73     1.08712   120.87268     1.47909
   79    77 S   CA   _C5_    74     1.39539   119.96896  -178.68389
   80    79 S   HA   _H35    75     1.08583   119.98985   179.93147
   81    79 S   CA   _C4_    76     1.39424   120.09582     0.28462
   82    81 S   HA   _H34    77     1.08631   120.00426   179.82983
   83    81 S   CA   _C6_    78     1.39452   120.03919     0.33102
   84    83 S   HA   _H36    79     1.08646   119.91127   179.27638
   85    76 S   CA   _C10    80     1.40002   120.94570    37.05251
   86    85 S   HA   _H40    81     1.08645   121.38974    -0.23490
  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  12   8   3   8   4   7   3   6   3   8   4
   5   3  10   5   3   2  11   4   8   1   1  11  14   5   2   1
   1   8   4   6   3   5   3   4   2   4   7   9   8   4   6   3
   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    58    59    39    40    43    44    47  
   38    41    58    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    49    53    54    58    59    39    40    43  
   40    43    44    47    48    51    41    58  
   43    44    47  
   42    45    46    49    50    53    58    59  
   45    46    49    58  
   44    47    48    51    52    55    57  
   47    48    51  
   46    49    50    53    54    58  
   49    50    53  
   48    51    52    55    56    60    75    57  
   51    52    55    57  
   50    53    54    58    59  
   53    54    58  
   52    55    56    60    61    74    75    76    57    62  
   55    56    60    75    57  
   54    58    59  
   58    59  
   56    60    61    66    74    75    57    62    63    64    65  
   60    61    57    62  
   60    61    72    74    75    76    77    85  
   59  
    0  
   61    66    67    68    72    74    75    62    63    64    65  
   66    67    68    69    70    72    73    74    75    76    62    63    64    65  
   63    64    65    66    74  
   64    65  
   65  
    0  
   67    68    69    70    71    72    74    75  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75    76  
   74    75  
   75    76    77    85  
   76    77    78    79    83    85    86  
   77    78    79    80    81    83    84    85    86  
   78    79    80    81    82    83    85    86  
   79    80    81    85  
   80    81    82    83    84    85  
   81    82    83  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5000   0.0660   0.185000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   60   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   61   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.004400   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.380900   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0700   0.004400   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   300.000  1.725
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   300.000  1.725
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    48   434.000  1.010
   47    51   382.000  1.448
   51    52   340.000  1.090
   51    55   317.000  1.522
   51    57   315.000  1.431
   55    56   570.000  1.229
   55    60   490.000  1.335
   60    61   360.000  1.404
   60    62   337.000  1.449
   61    66   469.000  1.400
   61    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   305.000  1.466
   75    76   305.000  1.466
   75    57   500.000  1.261
   76    77   469.000  1.400
   76    85   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    58    53    63.00000  120.00000
   38    58    59    75.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    50    75.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    58    63.00000  120.00000
   53    49    50    75.00000  120.00000
   53    58    59    75.00000  120.00000
   58    38    41    63.00000  120.00000
   58    53    54    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    48    50.00000  121.48000
   43    47    51    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    51    52    35.00000  109.50000
   47    51    55    70.00000  113.51500
   47    51    57    85.00000  110.25000
   51    47    48    35.00000  112.50000
   51    55    56    80.00000  120.40000
   51    55    60    70.00000  116.60000
   51    57    75    75.00000  114.96100
   55    51    52    35.00000  109.50000
   55    60    61    65.00000  121.96500
   55    60    62    50.00000  121.90000
   60    55    56    80.00000  122.90000
   60    61    66    70.00000  119.01900
   60    61    74    70.00000  119.01900
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   61    66    67    35.00000  120.00000
   61    66    68    63.00000  120.00000
   61    74    72    63.00000  120.00000
   61    74    75    60.00000  121.09900
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    60.00000  121.09900
   74    61    66    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    65.00000  125.00000
   74    75    57    65.00000  124.33800
   75    76    77    60.00000  118.70000
   75    76    85    60.00000  118.70000
   76    77    78    35.00000  120.00000
   76    77    79    63.00000  120.00000
   76    85    83    63.00000  120.00000
   76    85    86    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    35.00000  120.00000
   85    76    77    63.00000  120.00000
   85    83    84    35.00000  120.00000
   57    51    52    45.00000  110.38000
   57    51    55    80.00000  108.92000
   57    75    76    65.00000  125.00000
   62    60    61    70.00000  121.06000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    58    53   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   41    38    58    53   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45   -49    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    58   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53   -58    38   3.62500 -1.0 2.0
   49    53    58    59   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    58   3.62500 -1.0 2.0
   54    53    58    38   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    58   0.18050 -1.0 2.0
   39    43    47    48   1.00000 -1.0 2.0
   39    43    47    51  -0.54700  1.0 1.0
   39    43    47    51   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    55  -0.12500  1.0 1.0
   43    47    51    55  -0.12500 -1.0 2.0
   43    47    51    55   0.25000  1.0 3.0
   43    47    51    57  -0.12500  1.0 1.0
   43    47    51    57  -0.12500 -1.0 2.0
   43    47    51    57   0.25000  1.0 3.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    51   1.00000 -1.0 2.0
   47    51    55    56   0.00000  1.0 1.0
   47    51    55    60   0.37150  1.0 1.0
   47    51    55    60   1.25400 -1.0 2.0
   47    51    55    60  -0.40250  1.0 3.0
   47    51    57    75  -0.12500  1.0 1.0
   47    51    57    75  -0.12500 -1.0 2.0
   47    51    57    75   0.25000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.00000  1.0 1.0
   48    47    51    57  -0.12500  1.0 1.0
   48    47    51    57  -0.12500 -1.0 2.0
   48    47    51    57   0.25000  1.0 3.0
   51    55    60    61   0.76000  1.0 1.0
   51    55    60    61   4.11600 -1.0 2.0
   51    55    60    62   1.15000  1.0 1.0
   51    55    60    62   3.04450 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    60   0.00000  1.0 1.0
   52    51    57    75  -0.15000  1.0 3.0
   55    51    57    75  -0.12500  1.0 1.0
   55    51    57    75  -0.12500 -1.0 2.0
   55    51    57    75   0.25000  1.0 3.0
   55    60    61    66   1.00100  1.0 1.0
   55    60    61    66   0.85050 -1.0 2.0
   55    60    61    74   1.00100  1.0 1.0
   55    60    61    74   0.85050 -1.0 2.0
   55    60    62    63   0.00000  1.0 1.0
   55    60    62    64   0.00000  1.0 1.0
   55    60    62    65   0.00000  1.0 1.0
   56    55    60    61   0.04000 -1.0 2.0
   56    55    60    62   3.04450 -1.0 2.0
   60    61    66    67   3.62500 -1.0 2.0
   60    61    66    68   3.62500 -1.0 2.0
   60    61    74    72   3.62500 -1.0 2.0
   60    61    74    75   3.62500 -1.0 2.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.00000  1.0 1.0
   61    66    68    69   3.62500 -1.0 2.0
   61    66    68    70   3.62500 -1.0 2.0
   61    74    75    76   0.30050 -1.0 2.0
   61    74    75    76   0.16600  1.0 3.0
   61    74    75    57   1.02250 -1.0 2.0
   66    61    74    72   3.62500 -1.0 2.0
   66    61    74    75   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    61   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   0.30050 -1.0 2.0
   72    74    75    76   0.16600  1.0 3.0
   72    74    75    57   1.02250 -1.0 2.0
   73    72    74    61   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    61    66    67   3.62500 -1.0 2.0
   74    61   -66    68   3.62500 -1.0 2.0
   74    75    76    77   0.30050 -1.0 2.0
   74    75    76    77   0.16600  1.0 3.0
   74    75    76    85   0.30050 -1.0 2.0
   74    75    76    85   0.16600  1.0 3.0
   74    75    57    51   6.00000 -1.0 2.0
   75    76    77    78   3.62500 -1.0 2.0
   75    76    77    79   3.62500 -1.0 2.0
   75    76    85    83   3.62500 -1.0 2.0
   75    76    85    86   3.62500 -1.0 2.0
   76    75    57    51   6.00000 -1.0 2.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77    79    81   3.62500 -1.0 2.0
   77    76    85    83   3.62500 -1.0 2.0
   77    76    85    86   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   77    79   -81    83   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81    83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83   -85    76   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   84    83    85    76   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   85    76    77    78   3.62500 -1.0 2.0
   85    76   -77    79   3.62500 -1.0 2.0
   57    51    55    56   0.30150 -1.0 2.0
   57    51    55    60   0.00000  1.0 1.0
   57    75    76    77   1.02250 -1.0 2.0
   57    75    76    85   1.02250 -1.0 2.0
   62    60    61    66   0.81400  1.0 1.0
   62    60    61    66   1.55550 -1.0 2.0
   62    60    61    74   0.81400  1.0 1.0
   62    60    61    74   1.55550 -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
   41    58    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   53    50    49    45   4.00000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   53    59    58    38   4.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   48    43    47    51   1.00000 -1.0 2.0
   51    60    55    56  10.50000 -1.0 2.0
   62    55    60    61   1.00000 -1.0 2.0
   66    74    61    60   4.00000 -1.0 2.0
   68    67    66    61   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    61   4.00000 -1.0 2.0
   74    76    75    57  10.50000 -1.0 2.0
   77    85    76    75   4.00000 -1.0 2.0
   79    78    77    76   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    86    85    76   1.10000 -1.0 2.0
END
