* LIGAND DATABASE FILE (OPLS2005)
*
001      96    97    174    262     511
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054    97.80809    25.71760
    3     1 S   H    _H1_     3     1.02168    35.43212   137.12797
    4     1 S   H    _H2_     4     1.02160    81.24167   -82.10842
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08575   109.89770   179.09691
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.82982    97.93280   161.82117
   34    33 S   HC   _H5_    37     1.09795   105.77885    38.44830
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C15    38     1.51730   111.02822   -79.96081
   39    33 S   CT   _C9_    49     1.52484   109.89522   154.32879
   40    39 S   HC   _H10    50     1.09445   105.89114    64.62566
   41    38 S   CA   _C16    39     1.39405   120.03784   146.03634
   42    41 S   HA   _H17    40     1.08764   120.51414     0.01978
   43    39 S   CD   _C10    51     1.51830   111.37201  -177.07966
   44    39 S   N    _N5_    69     1.47843   117.15463   -54.73934
   45    41 S   CA   _C17    41     1.39456   120.04424   179.94766
   46    45 S   HA   _H18    42     1.08627   120.02948   179.92598
   47    43 S   NI   _N6_    52     1.29103   122.62509    62.83647
   48    44 S   CT   _C21    70     1.46429   115.31857   150.89795
   49    48 S   HC   _H22    71     1.09299   110.09671  -100.38526
   50    48 S   HC   _H23    72     1.09393   110.16763   139.60482
   51    48 S   HC   _H24    73     1.09390   110.20728    19.69261
   52    43 S   OH   _O36    95     1.35446   114.13156  -118.00273
   53    52 S   HO   _H16    96     0.97010   111.05828    -0.00000
   54    45 S   CA   _C18    43     1.39527   119.96002     0.03956
   55    54 S   HA   _H19    44     1.08571   120.01273   179.90721
   56    47 S   CT1  _C11    53     1.45855   115.88475   176.79423
   57    56 S   HC   _H11    54     1.09789   110.63090    61.21999
   58    56 S   HC   _H12    55     1.09372   113.14084   -59.96010
   59    54 S   CA   _C19    45     1.39520   120.02969    -0.03426
   60    59 S   HA   _H20    46     1.08500   120.02714   179.93147
   61    56 S   C    _C12    56     1.51667   107.64648   177.72256
   62    61 S   O    _O35    57     1.23657   118.11596  -103.13194
   63    38 S   CA   _C20    47     1.39486   119.92902   -33.97315
   64    63 S   HA   _H21    48     1.08620   120.56370    -0.03956
   65    61 S   N    _N7_    58     1.40459   118.48146    77.64381
   66    65 S   CT1  _C5_    59     1.48244   124.39490    -7.17843
   67    66 S   HC   _H3_    60     1.09254   108.43153    31.64014
   68    65 S   CT   _C13    91     1.46516   117.85543   177.64432
   69    68 S   HC   _H13    92     1.09352   110.09435    90.01541
   70    68 S   HC   _H14    93     1.09330   110.25577   -29.97176
   71    68 S   HC   _H15    94     1.09368   110.24624  -150.00956
   72    66 S   C    _C6_    61     1.52954   107.64644   -85.25096
   73    72 S   O    _O33    62     1.22936   122.68501   -28.66278
   74    66 S   CT   _C4_    87     1.52782   115.06645   151.72138
   75    74 S   HC   _H6_    88     1.08899   109.77449    59.28354
   76    74 S   HC   _H7_    89     1.08818   109.82085   -60.64552
   77    74 S   HC   _H8_    90     1.08809   109.84928   179.25612
   78    72 S   N    _N4_    63     1.39029   112.09636   150.57112
   79    78 S   H    _H9_    64     1.01603   117.47345    10.46321
   80    78 S   CT1  _C7_    65     1.46209   124.96827  -169.54146
   81    80 S   HC   _H4_    66     1.08981   106.73727  -173.66420
   82    80 S   C    _C8_    67     1.53526   103.99256    67.93873
   83    82 S   O    _O34    68     1.23386   119.15350   -97.95422
   84    80 S   CTD  _C22    74     1.52429   113.65329   -55.80437
   85    84 S   HC   _H25    75     1.09614   108.95742   -41.52875
   86    84 S   HC   _H26    76     1.09642   107.99885    74.07907
   87    84 S   CT   _C23    77     1.53812   113.50919  -164.73433
   88    87 S   HC   _H27    78     1.09769   108.74581   -59.82400
   89    87 S   CT   _C24    79     1.52894   112.40460    59.98587
   90    89 S   HC   _H28    80     1.09516   111.28545    59.89526
   91    89 S   HC   _H29    81     1.09391   111.39847   -60.89495
   92    89 S   HC   _H30    82     1.09567   110.69444   179.96044
   93    87 S   CT   _C25    83     1.53079   109.73284  -177.54202
   94    93 S   HC   _H31    84     1.09565   111.25116   -61.74898
   95    93 S   HC   _H32    85     1.09572   110.76340   178.06852
   96    93 S   HC   _H33    86     1.09410   110.85342    58.55760
  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   9   5   4   3
  16   7   2   1   1  13  16   6   8   4  10  12   6   3   8   6
   3   2   1   2   1   5   3   7   4   3   3   2  10   3   1   1
  13  14   8   5   2   1   1  11   4   4   2   1   1   9   4  10
   6   5   1  12   5   4   9   8   7   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    63    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    59    63    64    39    40    43    47    82    44    48    52  
   38    41    63    39    40    43    44  
   36    37  
   37  
    0  
   41    42    45    46    54    59    60    63    64    39    40    43    44  
   40    43    47    56    80    82    83    44    48    49    50    51    52    53    41    63  
   43    47    82    44    48    52  
   42    45    46    54    55    59    63    64  
   45    46    54    63  
   47    56    57    58    61    82    44    48    52    53  
   48    49    50    51    84    52    47    78    80    81    82    83  
   46    54    55    59    60    63  
   54    55    59  
   56    57    58    61    62    65    52    53  
   49    50    51    80    82    83  
   50    51    82  
   51    82  
   82  
   53    56  
    0  
   55    59    60    63    64  
   59    60    63  
   57    58    61    62    65    66    68  
   58    61    62    65  
   61    62    65  
   60    63    64  
   63    64  
   62    65    66    67    72    74    68    69    70    71  
   65    66    68  
   64  
    0  
   66    67    72    73    78    74    75    76    77    68    69    70    71  
   67    72    73    78    79    80    74    75    76    77    68    69    70    71  
   72    73    78    74    75    76    77    68  
   69    70    71    72    74  
   70    71  
   71  
    0  
   73    78    79    80    81    82    84    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86    87  
   80    81    82    84  
   81    82    83    84    85    86    87    88    89    93  
   82    83    84    85    86    87  
   83    84    85    86    87  
   84  
   85    86    87    88    89    90    91    92    93    94    95    96  
   86    87    88    89    93  
   87    88    89    93  
   88    89    90    91    92    93    94    95    96  
   89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    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   3.5000   0.0660   0.046100   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.438600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   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   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   48   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.503000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   66   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   79   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   80   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   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   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    63   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   39    40   340.000  1.090
   39    43   270.000  1.508
   39    44   337.000  1.449
   43    47   500.000  1.261
   43    52   440.000  1.374
   47    56   315.000  1.431
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.522
   61    62   570.000  1.229
   61    65   490.000  1.335
   65    66   337.000  1.449
   65    68   337.000  1.449
   66    67   340.000  1.090
   66    72   317.000  1.522
   66    74   268.000  1.529
   72    73   570.000  1.229
   72    78   490.000  1.335
   78    79   434.000  1.010
   78    80   337.000  1.449
   80    81   340.000  1.090
   80    82   317.000  1.522
   80    84   268.000  1.529
   82    83   570.000  1.229
   82    44   490.000  1.335
   44    48   337.000  1.449
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   268.000  1.529
   87    93   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    63    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  111.76100
   33    39    44    70.00000  110.72300
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    63    59    63.00000  120.00000
   38    63    64    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    54    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    54    55    35.00000  120.00000
   45    54    59    63.00000  120.00000
   54    45    46    35.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    63    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    64    35.00000  120.00000
   63    38    41    63.00000  120.00000
   63    59    60    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    47    65.00000  122.10100
   39    43    52    85.00000  110.80600
   39    44    82    50.00000  121.90000
   39    44    48    50.00000  118.00000
   43    39    40    45.00000  109.49600
   43    47    56    75.00000  114.96100
   43    52    53    70.00000  105.55000
   47    56    57    45.00000  110.38000
   47    56    58    45.00000  110.38000
   47    56    61    80.00000  108.92000
   56    61    62    80.00000  120.40000
   56    61    65    70.00000  116.60000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    65    66    50.00000  121.90000
   61    65    68    50.00000  121.90000
   65    61    62    80.00000  122.90000
   65    66    67    35.00000  109.50000
   65    66    72    63.00000  110.10000
   65    66    74    80.00000  109.70000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    73    80.00000  120.40000
   66    72    78    70.00000  116.60000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    77    37.50000  110.70000
   72    66    67    35.00000  109.50000
   72    78    79    35.00000  119.80000
   72    78    80    50.00000  121.90000
   78    72    73    80.00000  122.90000
   78    80    81    35.00000  109.50000
   78    80    82    63.00000  110.10000
   78    80    84    80.00000  109.70000
   80    78    79    38.00000  118.40000
   80    82    83    80.00000  120.40000
   80    82    44    70.00000  116.60000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    87    58.35000  112.70000
   82    80    81    35.00000  109.50000
   82    44    48    50.00000  121.90000
   44    39    40    35.00000  109.50000
   44    39    43    75.00000  110.78400
   44    82    83    80.00000  122.90000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    63.00000  111.10000
   84    87    88    37.50000  110.70000
   84    87    89    58.35000  112.70000
   84    87    93    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    89    90    37.50000  110.70000
   87    89    91    37.50000  110.70000
   87    89    92    37.50000  110.70000
   87    93    94    37.50000  110.70000
   87    93    95    37.50000  110.70000
   87    93    96    37.50000  110.70000
   89    87    88    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    87    88    37.50000  110.70000
   93    87    89    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    72    63.00000  111.10000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   68    65    66    70.00000  118.74000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    43    47    90.00000  118.59000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    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    63  -0.16000  1.0 1.0
   29    33    38    63  -0.03200 -1.0 2.0
   29    33    38    63   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  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    63    59   3.62500 -1.0 2.0
   33    38    63    64   3.62500 -1.0 2.0
   33    39    43    47   0.00000  1.0 1.0
   33    39    43    52   0.00000  1.0 1.0
   33    39    44    82  -0.43950  1.0 1.0
   33    39    44    82  -0.08100 -1.0 2.0
   33    39    44    82   0.03350  1.0 3.0
   33    39    44    48  -0.05900 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    63   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.21200  1.0 1.0
   38    33    39    43   0.16900 -1.0 2.0
   38    33    39    43  -1.15100  1.0 3.0
   38    33    39    44   0.08550  1.0 1.0
   38    33    39    44   1.07500 -1.0 2.0
   38    33    39    44  -0.10950  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    54   3.62500 -1.0 2.0
   41    38    63    59   3.62500 -1.0 2.0
   41    38    63    64   3.62500 -1.0 2.0
   41    45    54    55   3.62500 -1.0 2.0
   41    45   -54    59   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    54   3.62500 -1.0 2.0
   45    54    59    60   3.62500 -1.0 2.0
   45    54    59    63   3.62500 -1.0 2.0
   46    45    54    55   3.62500 -1.0 2.0
   46    45    54    59   3.62500 -1.0 2.0
   54    59   -63    38   3.62500 -1.0 2.0
   54    59    63    64   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   60    59    63    38   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   63    38    41    42   3.62500 -1.0 2.0
   63    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    63   0.04150 -1.0 2.0
   39    43    47    56   6.00000 -1.0 2.0
   39    43    52    53   1.50000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    50   0.00000  1.0 1.0
   39    44    48    51   0.00000  1.0 1.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    43    52   0.00000  1.0 1.0
   40    39    44    82   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   43    39    44    82  -0.19250  1.0 1.0
   43    39    44    82  -0.00500 -1.0 2.0
   43    39    44    82   0.17000  1.0 3.0
   43    39    44    48   0.17850 -1.0 2.0
   43    47    56    57  -0.15000  1.0 3.0
   43    47    56    58  -0.15000  1.0 3.0
   43    47    56    61  -0.12500  1.0 1.0
   43    47    56    61  -0.12500 -1.0 2.0
   43    47    56    61   0.25000  1.0 3.0
   47    43    52    53   1.50000 -1.0 2.0
   47    56    61    62   0.30150 -1.0 2.0
   47    56    61    65   0.00000  1.0 1.0
   56    61    65    66   1.15000  1.0 1.0
   56    61    65    66   3.04450 -1.0 2.0
   56    61    65    68   1.15000  1.0 1.0
   56    61    65    68   3.04450 -1.0 2.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    65   0.00000  1.0 1.0
   58    56    61    62   0.00000  1.0 1.0
   58    56    61    65   0.00000  1.0 1.0
   61    65    66    67   0.00000  1.0 1.0
   61    65    66    72  -0.29800  1.0 1.0
   61    65    66    72   0.13950 -1.0 2.0
   61    65    66    72  -2.45650  1.0 3.0
   61    65    66    74   0.25950  1.0 1.0
   61    65    66    74   0.43850 -1.0 2.0
   61    65    66    74   2.61650  1.0 3.0
   61    65    68    69   0.00000  1.0 1.0
   61    65    68    70   0.00000  1.0 1.0
   61    65    68    71   0.00000  1.0 1.0
   62    61    65    66   3.04450 -1.0 2.0
   62    61    65    68   3.04450 -1.0 2.0
   65    66    72    73   0.00000  1.0 1.0
   65    66    72    78   0.37150  1.0 1.0
   65    66    72    78   1.25400 -1.0 2.0
   65    66    72    78  -0.40250  1.0 3.0
   65    66    74    75   0.23200  1.0 3.0
   65    66    74    76   0.23200  1.0 3.0
   65    66    74    77   0.23200  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    78    79   2.45000 -1.0 2.0
   66    72    78    80   1.15000  1.0 1.0
   66    72    78    80   3.04450 -1.0 2.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    78   0.00000  1.0 1.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    77   0.15000  1.0 3.0
   72    66    74    75  -0.03800  1.0 3.0
   72    66    74    76  -0.03800  1.0 3.0
   72    66    74    77  -0.03800  1.0 3.0
   72    78    80    81   0.00000  1.0 1.0
   72    78    80    82  -0.29800  1.0 1.0
   72    78    80    82   0.13950 -1.0 2.0
   72    78    80    82  -2.45650  1.0 3.0
   72    78    80    84   0.25950  1.0 1.0
   72    78    80    84   0.43850 -1.0 2.0
   72    78    80    84   2.61650  1.0 3.0
   73    72    78    79   2.45000 -1.0 2.0
   73    72    78    80   3.04450 -1.0 2.0
   78    80    82    83   0.00000  1.0 1.0
   78    80    82    44   0.37150  1.0 1.0
   78    80    82    44   1.25400 -1.0 2.0
   78    80    82    44  -0.40250  1.0 3.0
   78    80    84    85   0.23200  1.0 3.0
   78    80    84    86   0.23200  1.0 3.0
   78    80    84    87   0.26400  1.0 1.0
   78    80    84    87   0.16150 -1.0 2.0
   78    80    84    87   0.25850  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    84   0.00000  1.0 1.0
   80    82    44    39   1.15000  1.0 1.0
   80    82    44    39   3.04450 -1.0 2.0
   80    82    44    48   1.15000  1.0 1.0
   80    82    44    48   3.04450 -1.0 2.0
   80    84    87    88   0.15000  1.0 3.0
   80    84    87    89   0.65000  1.0 1.0
   80    84    87    89  -0.02500 -1.0 2.0
   80    84    87    89   0.10000  1.0 3.0
   80    84    87    93   0.65000  1.0 1.0
   80    84    87    93  -0.02500 -1.0 2.0
   80    84    87    93   0.10000  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    44   0.00000  1.0 1.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    86   0.15000  1.0 3.0
   81    80    84    87   0.15000  1.0 3.0
   82    80    84    85  -0.03800  1.0 3.0
   82    80    84    86  -0.03800  1.0 3.0
   82    80    84    87  -0.45800  1.0 1.0
   82    80    84    87   0.20550 -1.0 2.0
   82    44    48    49   0.00000  1.0 1.0
   82    44    48    50   0.00000  1.0 1.0
   82    44    48    51   0.00000  1.0 1.0
   83    82    44    39   3.04450 -1.0 2.0
   83    82    44    48   3.04450 -1.0 2.0
   44    39    43    47   0.00000  1.0 1.0
   44    39    43    52   0.00000  1.0 1.0
   84    80    82    83   0.00000  1.0 1.0
   84    80    82    44   0.93250  1.0 1.0
   84    80    82    44   0.04450 -1.0 2.0
   84    80    82    44   0.17550  1.0 3.0
   84    87    89    90   0.15000  1.0 3.0
   84    87    89    91   0.15000  1.0 3.0
   84    87    89    92   0.15000  1.0 3.0
   84    87    93    94   0.15000  1.0 3.0
   84    87    93    95   0.15000  1.0 3.0
   84    87    93    96   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    93   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    93   0.15000  1.0 3.0
   88    87    89    90   0.15000  1.0 3.0
   88    87    89    91   0.15000  1.0 3.0
   88    87    89    92   0.15000  1.0 3.0
   88    87    93    94   0.15000  1.0 3.0
   88    87    93    95   0.15000  1.0 3.0
   88    87    93    96   0.15000  1.0 3.0
   89    87    93    94   0.15000  1.0 3.0
   89    87    93    95   0.15000  1.0 3.0
   89    87    93    96   0.15000  1.0 3.0
   93    87    89    90   0.15000  1.0 3.0
   93    87    89    91   0.15000  1.0 3.0
   93    87    89    92   0.15000  1.0 3.0
   74    66    72    73   0.00000  1.0 1.0
   74    66    72    78   0.93250  1.0 1.0
   74    66    72    78   0.04450 -1.0 2.0
   74    66    72    78   0.17550  1.0 3.0
   68    65    66    67   0.00000  1.0 1.0
   68    65    66    72   0.17850 -1.0 2.0
   68    65    66    74  -0.05900 -1.0 2.0
   52    43    47    56   6.00000 -1.0 2.0
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
   41    63    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   54    46    45    41   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   63    60    59    54   1.10000 -1.0 2.0
   59    64    63    38   1.10000 -1.0 2.0
   39    52    43    47  10.50000 -1.0 2.0
   56    65    61    62  10.50000 -1.0 2.0
   68    61    65    66   1.00000 -1.0 2.0
   66    78    72    73  10.50000 -1.0 2.0
   79    72    78    80   1.00000 -1.0 2.0
   80    44    82    83  10.50000 -1.0 2.0
   48    82    44    39   1.00000 -1.0 2.0
END
