* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    151    222     431
    1     0 S   NP   _N1_     1    28.91330    94.18935   -20.04512
    2     1 S   H    _HN1     2     1.02774    86.32748   -75.52656
    3     1 S   H    _H1_     3     1.02957    93.75358    32.67197
    4     1 S   H    _H2_     4     1.02833    31.18363   149.88628
    5     1 S   CT   _CA1     5     1.50186   141.42948   162.52812
    6     5 S   HC   _HA1     6     1.09584   105.11161    52.09533
    7     5 S   CO3  _C1_     7     1.53798   112.46064   -67.75560
    8     7 S   O2Z  _O11     8     1.26361   114.97831   -39.60232
    9     7 S   O2Z  _O12     9     1.26249   114.91949   139.16104
   10     5 S   CT   _CB1    10     1.53087   107.35786   169.81706
   11    10 S   HC   HB11    11     1.09811   109.11678   -50.80689
   12    10 S   HC   HB12    12     1.09823   110.46620    65.71522
   13    10 S   CT   _CG1    13     1.52972   112.75144  -172.04290
   14    13 S   HC   HG11    14     1.09519   110.10991   -66.72712
   15    13 S   HC   HG12    15     1.09647   110.15248    52.38506
   16    13 S   C    _CD1    16     1.51853   112.45489   172.48940
   17    16 S   O    _OE1    17     1.22736   123.23373    -8.28065
   18    16 S   N    _N2_    18     1.38614   111.64466   172.68321
   19    18 S   H    _HN2    19     1.01560   118.91467    -0.17017
   20    18 S   CT1  _CA2    20     1.46316   123.55347  -178.95564
   21    20 S   HC   _HA2    21     1.09733   109.32986   -15.37493
   22    20 S   C    _C2_    22     1.53411   108.25945  -131.06317
   23    22 S   O    _O2_    23     1.23012   122.30207  -146.41448
   24    20 S   CT   _CB2    32     1.53452   111.28712   106.84933
   25    24 S   HC   HB21    33     1.09547   109.28552    53.95985
   26    24 S   HC   HB22    34     1.09469   110.87567   172.83889
   27    22 S   N    _N3_    24     1.38535   113.33098    41.02092
   28    27 S   H    _HN3    25     1.01533   118.86672    -0.69295
   29    24 S   S    _SG2    35     1.82661   111.32220   -67.45656
   30    27 S   CT   _CA3    26     1.45440   123.46831   175.12661
   31    30 S   HC   HA31    27     1.09523   109.24803    24.26211
   32    30 S   HC   HA32    28     1.09497   107.12476   141.25949
   33    29 S   CT   _C18    36     1.85823   100.01715   157.73412
   34    33 S   HC   _H3_    37     1.09619   107.03652   -20.34589
   35    30 S   CO3  _C3_    29     1.52918   113.08047   -99.22546
   36    35 S   O2Z  _O31    30     1.26405   115.38833   -45.26386
   37    35 S   O2Z  _O32    31     1.26352   114.99406   135.66335
   38    33 S   CT   _C17    38     1.56212   104.10452    92.07917
   39    38 S   HC   _H43    39     1.09854   110.30726   -43.35610
   40    38 S   HC   _H44    40     1.09677   110.78251    71.48325
   41    33 S   CT   _C19    52     1.60954   112.67795  -138.74429
   42    41 S   OM   _O17    53     1.32321   106.53996   179.31700
   43    38 S   CM   _C5_    41     1.50661   115.66597  -165.10892
   44    43 S   HC   _H23    42     1.08906   114.51988   -94.77142
   45    41 S   CT   _C12    54     1.63368   113.96339    59.63653
   46    41 S   CT   _C15    77     1.55293   110.08593   -66.18324
   47    46 S   HC   _H37    78     1.09712   112.48740   -54.98423
   48    46 S   HC   _H38    79     1.09618   112.47912  -173.42738
   49    46 S   HC   _H39    80     1.09421   112.16877    65.47158
   50    43 S   CM   _C6_    43     1.34686   127.11177    86.26866
   51    45 S   CT   _C10    55     1.56522   113.70284    52.74023
   52    51 S   HC   _H30    56     1.09233   111.17480   -46.21891
   53    45 S   OH   _O20    75     1.44162   107.66261   -63.37985
   54    53 S   HO   _H46    76     0.97123   107.60624   -63.99570
   55    50 S   CT   _C13    44     1.50460   120.59111   179.08315
   56    55 S   HC   _H31    45     1.09495   110.27002   119.34403
   57    55 S   HC   _H32    46     1.09493   110.22206  -120.83520
   58    55 S   HC   _H33    47     1.09511   112.38886    -0.76105
   59    50 S   CT   _C14    48     1.50255   124.77807    -1.83045
   60    59 S   HC   _H34    49     1.09486   110.10349   117.33587
   61    59 S   HC   _H35    50     1.09246   113.39081    -3.41019
   62    59 S   HC   _H36    51     1.09524   110.06136  -123.26888
   63    51 S   CO4  _C4_    57     1.52439   111.05743    77.40620
   64    63 S   O    _O18    58     1.23156   121.52769  -131.38967
   65    51 S   OS   _O21    70     1.43765   109.30587  -165.91865
   66    63 S   CT   _C7_    59     1.51572   116.88126    53.60407
   67    66 S   HC   _H24    60     1.09588   107.55310    71.34984
   68    66 S   HC   _H25    61     1.09503   109.28120  -171.92289
   69    65 S   CT   _C16    71     1.42167   113.20895   158.63869
   70    69 S   HC   _H40    72     1.09308   108.22172  -179.51302
   71    69 S   HC   _H41    73     1.09354   111.00801    61.63196
   72    69 S   HC   _H42    74     1.09401   110.49231   -60.91371
   73    66 S   CT   _C8_    62     1.52260   111.64476   -50.11698
   74    73 S   HC   _H26    63     1.09745   108.55233   168.85293
   75    73 S   HC   _H27    64     1.09352   110.49569   -76.50476
   76    45 S   C3T  _C11    65     1.55370   115.68490   176.58006
   77    76 S   C3T  _C9_    66     1.52565   120.06205   135.99800
   78    77 S   HC   _H28    67     1.08170   120.15851     2.50585
   79    77 S   HC   _H29    68     1.08327   119.08317   150.48669
   80    76 S   O3T  _O19    69     1.43387   116.00120    69.85878
  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
  17   8   2   1   1  11   5   4  17   8  10   3  21   6   2   1
   1   8  17   7   7   1   7   3   2   1   3   2   1   1  10   5
   6   8   5   4   3   2   1   1   7   4   3   4   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    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    50    41    42    45    51    76    53    46    47    48    49  
   38    39    40    43    41    42    45    46  
   36    37  
   37  
    0  
   39    40    43    44    50    55    59    41    42    45    46  
   40    43    44    50    41  
   43    44    50    41  
   42    45    51    52    63    73    76    77    80    65    53    54    46    47    48    49    43  
   45    51    76    53    46    47    48    49  
   44    50    55    56    57    58    59    60    61    62  
   50    55    59  
   51    52    63    64    66    73    74    75    76    77    78    79    80    65    69    53    54    46    47    48    49  
   47    48    49    51    53    76  
   48    49  
   49  
    0  
   55    56    57    58    59    60    61    62  
   52    63    64    66    67    68    73    76    77    80    65    69    70    71    72    53    54  
   63    64    66    76    65    69    53  
   54    63    65    73    76    77    80  
   76  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    66    67    68    73    74    75    76    65    69  
   66    67    68    73    65  
   69    70    71    72    66    76  
   67    68    73    74    75    76    77    80  
   68    73    74    75    76  
   73    74    75    76  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    80  
   76    77    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   317.000  1.510
   43    44   340.000  1.080
   43    50   549.000  1.340
   50    55   317.000  1.510
   50    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    42   570.000  1.307
   41    45   268.000  1.529
   41    46   268.000  1.529
   45    51   268.000  1.529
   45    76   275.000  1.510
   45    53   320.000  1.410
   51    52   340.000  1.090
   51    63   317.000  1.522
   51    65   320.000  1.410
   63    64   570.000  1.229
   63    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   275.000  1.510
   76    77   260.000  1.509
   76    80   335.000  1.432
   77    78   340.000  1.088
   77    79   340.000  1.088
   77    80   335.000  1.432
   65    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   53    54   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    70.00000  112.02700
   33    41    42    50.00000  109.50000
   33    41    45    58.35000  112.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  117.00000
   38    43    50    70.00000  124.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    50    55    70.00000  124.00000
   43    50    59    70.00000  124.00000
   50    43    44    35.00000  120.00000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   50    59    60    35.00000  109.50000
   50    59    61    35.00000  109.50000
   50    59    62    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    55    65.00000  117.92700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    51    58.35000  112.70000
   41    45    76    70.00000  112.37300
   41    45    53    50.00000  109.50000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   45    41    42    50.00000  109.50000
   45    51    52    37.50000  110.70000
   45    51    63    63.00000  111.10000
   45    51    65    50.00000  109.50000
   45    76    73    58.35000  112.70000
   45    76    77    60.00000  120.94000
   45    76    80    80.00000  116.47100
   45    53    54    55.00000  108.50000
   51    63    64    80.00000  120.40000
   51    63    66    70.00000  116.00000
   51    65    69    60.00000  109.50000
   63    51    52    35.00000  109.50000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    73    63.00000  111.10000
   66    63    64    80.00000  120.40000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    70.00000  112.37300
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    60.00000  120.94000
   73    76    80    80.00000  116.47100
   75    73    74    33.00000  107.80000
   76    45    51    70.00000  112.37300
   76    73    74    45.00000  109.38400
   76    73    75    45.00000  109.38400
   76    77    78    37.50000  117.20000
   76    77    79    37.50000  117.20000
   76    77    80    15.00000   60.43100
   76    80    77    15.00000   59.14900
   79    77    78    35.00000  114.30000
   80    76    77    15.00000   60.43100
   80    77    78    50.00000  114.27700
   80    77    79    50.00000  114.27700
   65    51    52    35.00000  109.50000
   65    51    63    90.00000  108.74100
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   53    45    51    50.00000  109.50000
   53    45    76    50.00000  109.50000
   46    41    42    50.00000  109.50000
   46    41    45    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  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    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  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
   33    38    43    44   0.00000  1.0 1.0
   33    38    43    50   0.09850  1.0 1.0
   33    38    43    50   0.15250 -1.0 2.0
   33    38    43    50  -0.50650  1.0 3.0
   33    41    45    51   0.56750  1.0 1.0
   33    41    45    51  -0.07550 -1.0 2.0
   33    41    45    51   0.20000  1.0 3.0
   33    41    45    76   0.47050  1.0 1.0
   33    41    45    76   0.03900 -1.0 2.0
   33    41    45    76   0.20100  1.0 3.0
   33    41    45    53   0.86500  1.0 1.0
   33    41    45    53  -0.17500 -1.0 2.0
   33    41    45    53   0.20800  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
   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    45   0.15000  1.0 3.0
   34    33    41    46   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    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  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    43    50    55   7.00000 -1.0 2.0
   38    43    50    59   7.00000 -1.0 2.0
   39    38    43    44   0.33100  1.0 3.0
   39    38    43    50   0.00000  1.0 1.0
   40    38    43    44   0.33100  1.0 3.0
   40    38    43    50   0.00000  1.0 1.0
   43    50    55    56   0.00000  1.0 1.0
   43    50    55    57   0.00000  1.0 1.0
   43    50    55    58   0.00000  1.0 1.0
   43    50    59    60   0.00000  1.0 1.0
   43    50    59    61   0.00000  1.0 1.0
   43    50    59    62   0.00000  1.0 1.0
   44    43    50    55   7.00000 -1.0 2.0
   44    43    50    59   7.00000 -1.0 2.0
   55    50    59    60   0.34800  1.0 3.0
   55    50    59    61   0.34800  1.0 3.0
   55    50    59    62   0.34800  1.0 3.0
   59    50    55    56   0.34800  1.0 3.0
   59    50    55    57   0.34800  1.0 3.0
   59    50    55    58   0.34800  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   0.34400  1.0 1.0
   41    33    38    43   0.09450 -1.0 2.0
   41    33    38    43   0.11100  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    63  -0.95700  1.0 1.0
   41    45    51    63  -0.18200 -1.0 2.0
   41    45    51    63   0.29450  1.0 3.0
   41    45    51    65   0.62750  1.0 1.0
   41    45    51    65  -0.30950 -1.0 2.0
   41    45    51    65   0.27300  1.0 3.0
   41    45    76    73   0.56750  1.0 1.0
   41    45    76    73  -0.07550 -1.0 2.0
   41    45    76    73   0.20000  1.0 3.0
   41    45    76    77   0.07850  1.0 1.0
   41    45    76    77  -0.03950 -1.0 2.0
   41    45    76    77   0.67350  1.0 3.0
   41    45    76    80   0.02550  1.0 1.0
   41    45    76    80  -0.02600 -1.0 2.0
   41    45    76    80   1.20400  1.0 3.0
   41    45    53    54  -0.11600  1.0 1.0
   41    45    53    54  -0.09450 -1.0 2.0
   41    45    53    54   0.21250  1.0 3.0
   42    41    45    51   0.62750  1.0 1.0
   42    41    45    51  -0.30950 -1.0 2.0
   42    41    45    51   0.27300  1.0 3.0
   42    41    45    76  -0.26800  1.0 1.0
   42    41    45    76   0.69150 -1.0 2.0
   42    41    45    76  -0.48750  1.0 3.0
   42    41    45    53   3.69350  1.0 1.0
   42    41    45    53  -1.82950 -1.0 2.0
   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
   45    41    46    47   0.15000  1.0 3.0
   45    41    46    48   0.15000  1.0 3.0
   45    41    46    49   0.15000  1.0 3.0
   45    51    63    64   0.30150 -1.0 2.0
   45    51    63    66   0.60050  1.0 1.0
   45    51    63    66   0.05600 -1.0 2.0
   45    51    63    66   0.26150  1.0 3.0
   45    51    65    69   0.06250  1.0 1.0
   45    51    65    69  -0.01100 -1.0 2.0
   45    51    65    69   0.28050  1.0 3.0
   45    76    77    78   0.15000  1.0 3.0
   45    76    77    79   0.15000  1.0 3.0
   45    76   -77    80   0.02550  1.0 1.0
   45    76   -77    80  -0.02600 -1.0 2.0
   45    76   -77    80   1.20400  1.0 3.0
   45    76   -80    77   0.06250  1.0 1.0
   45    76   -80    77  -0.01100 -1.0 2.0
   45    76   -80    77   0.28050  1.0 3.0
   51    45    76    73   0.56750  1.0 1.0
   51    45    76    73  -0.07550 -1.0 2.0
   51    45    76    73   0.20000  1.0 3.0
   51    45    76    77   0.07850  1.0 1.0
   51    45    76    77  -0.03950 -1.0 2.0
   51    45    76    77   0.67350  1.0 3.0
   51    45    76    80   0.02550  1.0 1.0
   51    45    76    80  -0.02600 -1.0 2.0
   51    45    76    80   1.20400  1.0 3.0
   51    45    53    54  -0.11600  1.0 1.0
   51    45    53    54  -0.09450 -1.0 2.0
   51    45    53    54   0.21250  1.0 3.0
   51    63    66    67   0.00000  1.0 1.0
   51    63    66    68   0.00000  1.0 1.0
   51    63   -66    73   0.60050  1.0 1.0
   51    63   -66    73   0.05600 -1.0 2.0
   51    63   -66    73   0.26150  1.0 3.0
   51    65    69    70   0.37050  1.0 3.0
   51    65    69    71   0.37050  1.0 3.0
   51    65    69    72   0.37050  1.0 3.0
   52    51    63    64   0.00000  1.0 1.0
   52    51    63    66   0.00000  1.0 1.0
   52    51    65    69   0.37050  1.0 3.0
   63    51    65    69  -1.11000  1.0 1.0
   63    51    65    69   0.50250 -1.0 2.0
   63    51    65    69   0.47450  1.0 3.0
   63    66    73    74  -0.11250  1.0 3.0
   63    66    73    75  -0.11250  1.0 3.0
   63    66    73    76  -0.95700  1.0 1.0
   63    66    73    76  -0.18200 -1.0 2.0
   63    66    73    76   0.29450  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    73   0.30150 -1.0 2.0
   66    73   -76    45   0.56750  1.0 1.0
   66    73   -76    45  -0.07550 -1.0 2.0
   66    73   -76    45   0.20000  1.0 3.0
   66    73    76    77   0.07850  1.0 1.0
   66    73    76    77  -0.03950 -1.0 2.0
   66    73    76    77   0.67350  1.0 3.0
   66    73    76    80   0.02550  1.0 1.0
   66    73    76    80  -0.02600 -1.0 2.0
   66    73    76    80   1.20400  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76   -77    80   0.02550  1.0 1.0
   73    76   -77    80  -0.02600 -1.0 2.0
   73    76   -77    80   1.20400  1.0 3.0
   73    76   -80    77   0.06250  1.0 1.0
   73    76   -80    77  -0.01100 -1.0 2.0
   73    76   -80    77   0.28050  1.0 3.0
   74    73    76    45   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    80   0.23400  1.0 3.0
   75    73    76    45   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    80   0.23400  1.0 3.0
   76    45    51    52   0.15000  1.0 3.0
   76    45   -51    63  -0.95700  1.0 1.0
   76    45   -51    63  -0.18200 -1.0 2.0
   76    45   -51    63   0.29450  1.0 3.0
   76    45    51    65  -0.26800  1.0 1.0
   76    45    51    65   0.69150 -1.0 2.0
   76    45    51    65  -0.48750  1.0 3.0
   76    45    53    54  -0.11600  1.0 1.0
   76    45    53    54  -0.09450 -1.0 2.0
   76    45    53    54   0.21250  1.0 3.0
   78    77   -80    76   0.36800  1.0 3.0
   79    77   -80    76   0.36800  1.0 3.0
   80    76   -77    78   0.23400  1.0 3.0
   80    76   -77    79   0.23400  1.0 3.0
   65    51    63    64   0.30150 -1.0 2.0
   65    51    63    66   0.55300  1.0 1.0
   65    51    63    66   1.25850 -1.0 2.0
   65    51    63    66  -0.23600  1.0 3.0
   53    45    51    52   0.23400  1.0 3.0
   53    45    51    63  -0.09450  1.0 1.0
   53    45    51    63  -1.12950 -1.0 2.0
   53    45    51    63   0.54000  1.0 3.0
   53    45    51    65   3.69350  1.0 1.0
   53    45    51    65  -1.82950 -1.0 2.0
   53    45    76    73   0.86500  1.0 1.0
   53    45    76    73  -0.17500 -1.0 2.0
   53    45    76    73   0.20800  1.0 3.0
   53    45    76    77   0.86500  1.0 1.0
   53    45    76    77  -0.17500 -1.0 2.0
   53    45    76    77   0.20800  1.0 3.0
   53    45    76    80   3.69350  1.0 1.0
   53    45    76    80  -1.82950 -1.0 2.0
   46    41    45    51   0.56750  1.0 1.0
   46    41    45    51  -0.07550 -1.0 2.0
   46    41    45    51   0.20000  1.0 3.0
   46    41    45    76   0.47050  1.0 1.0
   46    41    45    76   0.03900 -1.0 2.0
   46    41    45    76   0.20100  1.0 3.0
   46    41    45    53   0.86500  1.0 1.0
   46    41    45    53  -0.17500 -1.0 2.0
   46    41    45    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    44    43    50  15.00000 -1.0 2.0
   55    59    50    43  15.00000 -1.0 2.0
   51    66    63    64  10.50000 -1.0 2.0
END
