* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    166    251     479
    1     0 S   NP   _N1_     1    29.35100    92.11375   -23.19981
    2     1 S   H    _HN1     2     1.02792    11.82448   175.23207
    3     1 S   H    _H1_     3     1.02720   104.08117   -73.14496
    4     1 S   H    _H2_     4     1.03159    98.58193    37.96774
    5     1 S   CT   _CA1     5     1.50200   122.32761   158.82624
    6     5 S   HC   _HA1     6     1.09567   105.23247    66.61031
    7     5 S   CO3  _C1_     7     1.53717   112.52928   -53.50083
    8     7 S   O2Z  _O11     8     1.26324   115.06978   -40.49193
    9     7 S   O2Z  _O12     9     1.26266   114.86711   138.46392
   10     5 S   CT   _CB1    10     1.52892   107.06496  -175.51005
   11    10 S   HC   HB11    11     1.09793   109.11061   -50.09673
   12    10 S   HC   HB12    12     1.09664   110.19999    66.50384
   13    10 S   CT   _CG1    13     1.52823   113.50660  -171.89058
   14    13 S   HC   HG11    14     1.09570   110.23831   -63.62761
   15    13 S   HC   HG12    15     1.09601   110.44164    55.82494
   16    13 S   C    _CD1    16     1.51856   111.37520   175.51341
   17    16 S   O    _OE1    17     1.22800   123.05495   -18.84857
   18    16 S   N    _N2_    18     1.38511   112.06756   162.44883
   19    18 S   H    _HN2    19     1.01601   119.15940    -0.00000
   20    18 S   CT1  _CA2    20     1.46096   123.08513   179.47400
   21    20 S   HC   _HA2    21     1.09748   109.23046   -15.08907
   22    20 S   C    _C2_    22     1.53401   108.32237  -130.48945
   23    22 S   O    _O2_    23     1.23027   122.44497  -147.67727
   24    20 S   CT   _CB2    32     1.53365   111.88109   106.94097
   25    24 S   HC   HB21    33     1.09577   110.12711    55.58203
   26    24 S   HC   HB22    34     1.09530   109.93017   174.47299
   27    22 S   N    _N3_    24     1.38395   113.42152    39.91166
   28    27 S   H    _HN3    25     1.01663   119.50417    -3.73644
   29    24 S   S    _SG2    35     1.82774   112.21344   -65.63285
   30    27 S   CT   _CA3    26     1.45294   123.03306   176.83653
   31    30 S   HC   HA31    27     1.09557   107.56806   -62.47869
   32    30 S   HC   HA32    28     1.09561   107.87920    53.89439
   33    29 S   CT   _C18    36     1.82811    98.84817  -173.02214
   34    33 S   HC   _H10    37     1.09515   107.42605    58.96011
   35    30 S   CO3  _C3_    29     1.52912   114.20477   175.85329
   36    35 S   O2Z  _O31    30     1.26350   116.06577    -0.56614
   37    35 S   O2Z  _O32    31     1.26434   114.40449   179.47735
   38    33 S   CT   _C17    38     1.53394   114.25095  -179.23179
   39    38 S   HC   _H9_    39     1.09807   108.22230  -149.21945
   40    38 S   CT   _C16    40     1.51743   103.00713    96.37625
   41    40 S   HC   _H8_    41     1.09351   113.10299   158.82519
   42    38 S   OH   _O42    89     1.41201   116.26405   -28.23073
   43    42 S   HO   _H17    90     0.97225   107.73225   -45.42644
   44    40 S   CT   _C15    42     1.52616   100.24552    38.04345
   45    44 S   HC   _H7_    43     1.09828   108.82852    76.52978
   46    40 S   OH   _O43    87     1.42328   111.00099   -80.05439
   47    46 S   HO   _H18    88     0.97251   108.75183    52.53694
   48    33 S   OS   _O41    44     1.44338   111.03401   -59.46363
   49    44 S   CT   _C14    45     1.52082   115.64472  -160.02282
   50    49 S   HC   _H15    46     1.09552   110.04876   171.64328
   51    49 S   HC   _H16    47     1.09536   111.58029    53.27516
   52    49 S   OS   _O40    48     1.41978   108.87484   -69.62432
   53    52 S   P2   _P2_    49     1.63437   119.40141   156.25909
   54    53 S   O2Z  _O39    50     1.51268   109.00782    39.52245
   55    53 S   O2Z  _O38    51     1.51249   107.51808   172.23120
   56    53 S   OS   _O37    52     1.62505    98.57004   -74.60670
   57    56 S   P2   _P1_    53     1.62633   131.32175  -170.95652
   58    57 S   O2Z  _O36    54     1.51236   109.04366   -68.83010
   59    57 S   O2Z  _O35    55     1.51320   109.35483    65.12011
   60    57 S   OS   _O34    56     1.63722    99.08181   178.50551
   61    60 S   CT   _C13    57     1.42533   118.36376   -60.71678
   62    61 S   HC   _H13    58     1.09447   108.93123   -58.51665
   63    61 S   HC   _H14    59     1.09323   108.19491    60.12697
   64    61 S   CT   _C12    60     1.52232   109.27034  -179.04305
   65    64 S   HC   _H6_    61     1.09708   109.98490    51.24864
   66    64 S   CT   _C11    62     1.53137   114.37415   175.94160
   67    66 S   HC   _H5_    63     1.09456   111.06859   -84.87552
   68    66 S   CT   _C10    64     1.51499   102.02931   152.92137
   69    68 S   HC   _H4_    65     1.09454   114.67698  -157.45339
   70    66 S   OH   _O44    85     1.42291   111.19883    36.21335
   71    70 S   HO   _H19    86     0.97238   107.72317   178.06508
   72    68 S   CO   _C9_    66     1.52962   101.27826   -37.32479
   73    72 S   HC   _H3_    67     1.09652   110.45935   -83.17961
   74    68 S   OH   _O45    83     1.42475   108.98619    80.37173
   75    74 S   HO   _H20    84     0.97268   107.55146    67.51698
   76    72 S   N*   _N6_    68     1.44739   115.14430   154.33390
   77    64 S   OS   _O33    82     1.44489   109.85014   -64.42879
   78    76 S   CRAB _C8_    69     1.36995   127.03004   -83.89024
   79    78 S   HA   _H12    70     1.08207   122.48184    -2.62853
   80    78 S   NNA  _N7_    71     1.31733   112.09403   176.83987
   81    80 S   C56B _C6_    72     1.37671   104.90307     0.37115
   82    76 S   C56A _C7_    73     1.36857   125.69221    93.48961
   83    82 S   NB   _N5_    74     1.34204   127.86977     2.87726
   84    83 S   CQ   _C4_    75     1.34690   110.66330   179.87028
   85    84 S   HA   _H11    76     1.08483   115.78638  -179.28208
   86    84 S   NB   _N4_    77     1.35359   128.65649     0.93209
   87    81 S   CA   _C5_    78     1.40361   131.70685   179.97202
   88    87 S   NND  _N8_    79     1.38158   122.28183     1.27748
   89    88 S   H    _H21    80     1.00975   120.55938     3.73879
   90    88 S   H    _H22    81     1.01056   119.04284   179.18315
  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
  12   6   2   1   1  11   7  12   7   4   1   9   6   3   1   4
   7   3   2   5   7   3   2   5   7   3   2   7  10   5   4  12
   6  11   7  11   7   4   1  11   5   3   1   9   2   6   3   6
   8   6   4   4   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    46    42    43  
   38    39    40    44    48    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    49    46    47    42    43  
   40    41    44    48    46    42    43  
   41    44    45    48    49    50    51    52    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    48  
    0  
   45    48    49    50    51    52    53    46    47  
   48    49    50    51    52    46  
   47    48    49  
    0  
   49    50    51    52  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53    54    55    56    57  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    77  
   62    63    64    65    66    67    68    72    77    70  
   63    64    65    66    77  
   64    65    66    77  
   65    66    67    68    69    72    73    76    77    74    70    71  
   66    67    68    72    77    70  
   67    68    69    72    73    76    77    74    75    70    71  
   68    69    72    77    74    70    71  
   69    72    73    76    78    82    77    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74    77  
    0  
   73    76    78    79    80    81    82    83    77    74    75  
   76    78    82    77    74  
   75    76    77  
    0  
   78    79    80    81    82    83    84    87    77  
   78    82  
   79    80    81    82    83    87  
   80    81    82  
   81    82    83    86    87    88  
   82    83    84    86    87    88    89    90  
   83    84    85    86    87    88  
   84    85    86    87  
   85    86    87    88  
   86    87  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   81   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   84   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   86   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   87   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   89   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   90   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   320.000  1.410
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   320.000  1.410
   52    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    56   230.000  1.697
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    77   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   320.000  1.410
   68    69   340.000  1.090
   68    72   250.000  1.527
   68    74   320.000  1.410
   72    73   340.000  1.090
   72    76   275.000  1.479
   72    77   320.000  1.380
   76    78   440.000  1.371
   76    82   436.000  1.374
   78    79   367.000  1.080
   78    80   529.000  1.304
   80    81   414.000  1.391
   81    82   447.000  1.419
   81    87   469.000  1.404
   82    83   461.000  1.354
   83    84   502.000  1.324
   84    85   367.000  1.080
   84    86   502.000  1.324
   86    87   483.000  1.339
   87    88   481.000  1.340
   88    89   434.000  1.010
   88    90   434.000  1.010
   74    75   553.000  0.945
   70    71   553.000  0.945
   46    47   553.000  0.945
   42    43   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    75.00000  111.63000
   29    33    48    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    50.00000  109.50000
   40    44    49    58.35000  112.70000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    50.00000  109.50000
   48    33    34    35.00000  109.50000
   48    33    38    50.00000  109.50000
   48    44    45    35.00000  109.50000
   49    44    45    37.50000  110.70000
   49    44    48    50.00000  109.50000
   49    52    53   100.00000  120.50000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    53    54   100.00000  108.23000
   52    53    55   100.00000  108.23000
   52    53    56    45.00000  102.60000
   53    56    57    50.00000  132.62000
   55    53    54   140.00000  119.90000
   56    53    54   100.00000  108.23000
   56    53    55   100.00000  108.23000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61   100.00000  120.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    77    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    70    50.00000  109.50000
   64    77    72    60.00000  109.50000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    72    75.00000  109.43000
   66    68    74    50.00000  109.50000
   66    70    71    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    72    73    45.00000  112.01100
   68    72    76    75.00000  107.44000
   68    72    77    90.00000  108.56700
   68    74    75    55.00000  108.50000
   72    68    69    45.00000  108.72000
   72    76    78    70.00000  128.80000
   72    76    82    70.00000  125.80000
   76    72    73    55.00000  103.44000
   76    78    79    35.00000  123.05000
   76    78    80    70.00000  113.90000
   76    82    81    70.00000  106.20000
   76    82    83    70.00000  126.20000
   78    80    81    70.00000  103.80000
   80    78    79    35.00000  123.05000
   80    81    82    70.00000  110.40000
   80    81    87    70.00000  132.40000
   81    82    83    70.00000  127.70000
   81    87    86    70.00000  117.30000
   81    87    88    70.00000  123.50000
   82    76    78    70.00000  105.40000
   82    83    84    70.00000  111.00000
   83    84    85    35.00000  115.45000
   83    84    86    70.00000  129.10000
   84    86    87    70.00000  118.60000
   86    84    85    35.00000  115.45000
   86    87    88    70.00000  119.30000
   87    81    82    85.00000  116.20000
   87    88    89    35.00000  120.00000
   87    88    90    35.00000  120.00000
   90    88    89    35.00000  120.00000
   77    64    65    35.00000  109.50000
   77    64    66    50.00000  109.50000
   77    72    73    35.00000  109.50000
   77    72    76   105.00000  106.22000
   74    68    69    35.00000  109.50000
   74    68    72    90.00000  111.58700
   70    66    67    35.00000  109.50000
   70    66    68    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    48   0.13850  1.0 1.0
   24    29    33    48  -1.34450 -1.0 2.0
   24    29    33    48   0.57400  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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.14700  1.0 1.0
   29    33    48    44  -1.16150 -1.0 2.0
   29    33    48    44   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.56750  1.0 1.0
   33    38   -40    44  -0.07550 -1.0 2.0
   33    38   -40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  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    42   0.23400  1.0 3.0
   34    33    48    44   0.37050  1.0 3.0
   38    33   -48    44   0.06250  1.0 1.0
   38    33   -48    44  -0.01100 -1.0 2.0
   38    33   -48    44   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49   0.56750  1.0 1.0
   38    40    44    49  -0.07550 -1.0 2.0
   38    40    44    49   0.20000  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.62750  1.0 1.0
   40    44    49    52  -0.30950 -1.0 2.0
   40    44    49    52   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    49    52    53  -2.65550  1.0 1.0
   44    49    52    53  -0.22350 -1.0 2.0
   44    49    52    53   0.24150  1.0 3.0
   45    44    48    33   0.37050  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.23400  1.0 3.0
   48    33    38    39   0.23400  1.0 3.0
   48    33   -38    40   0.62750  1.0 1.0
   48    33   -38    40  -0.30950 -1.0 2.0
   48    33   -38    40   0.27300  1.0 3.0
   48    33    38    42   3.69350  1.0 1.0
   48    33    38    42  -1.82950 -1.0 2.0
   48    44    49    50   0.23400  1.0 3.0
   48    44    49    51   0.23400  1.0 3.0
   48    44    49    52   1.11900  1.0 1.0
   48    44    49    52  -1.16350 -1.0 2.0
   48    44    49    52  -0.34150  1.0 3.0
   49    44    48    33   0.06250  1.0 1.0
   49    44    48    33  -0.01100 -1.0 2.0
   49    44    48    33   0.28050  1.0 3.0
   49    52    53    54   0.00000  1.0 1.0
   49    52    53    55   0.00000  1.0 1.0
   49    52    53    56   0.05050  1.0 1.0
   49    52    53    56  -1.30700 -1.0 2.0
   49    52    53    56   0.91550  1.0 3.0
   50    49    52    53   0.03000  1.0 3.0
   51    49    52    53   0.03000  1.0 3.0
   52    53    56    57   0.15000  1.0 3.0
   53    56    57    58   0.50000  1.0 3.0
   53    56    57    59   0.50000  1.0 3.0
   53    56    57    60   0.15000  1.0 3.0
   54    53    56    57   0.50000  1.0 3.0
   55    53    56    57   0.50000  1.0 3.0
   56    57    60    61   0.05050  1.0 1.0
   56    57    60    61  -1.30700 -1.0 2.0
   56    57    60    61   0.91550  1.0 3.0
   57    60    61    62   0.03000  1.0 3.0
   57    60    61    63   0.03000  1.0 3.0
   57    60    61    64  -2.65550  1.0 1.0
   57    60    61    64  -0.22350 -1.0 2.0
   57    60    61    64   0.24150  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   60    61    64    65   0.23400  1.0 3.0
   60    61    64    66   0.62750  1.0 1.0
   60    61    64    66  -0.30950 -1.0 2.0
   60    61    64    66   0.27300  1.0 3.0
   60    61    64    77   1.11900  1.0 1.0
   60    61    64    77  -1.16350 -1.0 2.0
   60    61    64    77  -0.34150  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    70   0.86500  1.0 1.0
   61    64    66    70  -0.17500 -1.0 2.0
   61    64    66    70   0.20800  1.0 3.0
   61    64    77    72   0.06250  1.0 1.0
   61    64    77    72  -0.01100 -1.0 2.0
   61    64    77    72   0.28050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    77   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    77   0.23400  1.0 3.0
   64    66    68    69   0.15000  1.0 3.0
   64    66   -68    72   3.97050  1.0 1.0
   64    66    68    74   0.86500  1.0 1.0
   64    66    68    74  -0.17500 -1.0 2.0
   64    66    68    74   0.20800  1.0 3.0
   64    66    70    71  -0.11600  1.0 1.0
   64    66    70    71  -0.09450 -1.0 2.0
   64    66    70    71   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    70   0.23400  1.0 3.0
   65    64    77    72   0.37050  1.0 3.0
   66    64   -77    72   0.06250  1.0 1.0
   66    64   -77    72  -0.01100 -1.0 2.0
   66    64   -77    72   0.28050  1.0 3.0
   66    68    72    73   0.15000  1.0 3.0
   66    68    72    76  -0.64600  1.0 1.0
   66    68    72    76   0.58400 -1.0 2.0
   66    68   -72    77   0.62750  1.0 1.0
   66    68   -72    77  -0.30950 -1.0 2.0
   66    68   -72    77   0.27300  1.0 3.0
   66    68    74    75  -0.11600  1.0 1.0
   66    68    74    75  -0.09450 -1.0 2.0
   66    68    74    75   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.15000  1.0 3.0
   67    66    68    74   0.23400  1.0 3.0
   67    66    70    71   0.19450  1.0 3.0
   68    66    70    71  -0.11600  1.0 1.0
   68    66    70    71  -0.09450 -1.0 2.0
   68    66    70    71   0.21250  1.0 3.0
   68    72    76    78   1.10250  1.0 1.0
   68    72    76    78   0.01650 -1.0 2.0
   68    72    76    78   0.39100  1.0 3.0
   68    72    76    82   1.10250  1.0 1.0
   68    72    76    82   0.01650 -1.0 2.0
   68    72    76    82   0.39100  1.0 3.0
   68    72   -77    64   0.06250  1.0 1.0
   68    72   -77    64  -0.01100 -1.0 2.0
   68    72   -77    64   0.28050  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    77   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75  -0.11600  1.0 1.0
   72    68    74    75  -0.09450 -1.0 2.0
   72    68    74    75   0.21250  1.0 3.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76    78    80   3.62500 -1.0 2.0
   72    76    82    81   0.81400  1.0 1.0
   72    76    82    81   1.55550 -1.0 2.0
   72    76    82    83   3.62500 -1.0 2.0
   73    72    76    78   0.00000  1.0 1.0
   73    72    76    82   0.00000  1.0 1.0
   73    72    77    64   0.37050  1.0 3.0
   76    72    77    64  -2.37750  1.0 1.0
   76    72    77    64  -0.08150 -1.0 2.0
   76    72    77    64   0.59000  1.0 3.0
   76    78   -80    81   3.62500 -1.0 2.0
   76    82    83    84   3.62500 -1.0 2.0
   78    76   -82    81   0.70250  1.0 1.0
   78    76   -82    81   1.56150 -1.0 2.0
   78    76    82    83   3.62500 -1.0 2.0
   78    80   -81    82   3.62500 -1.0 2.0
   78    80    81    87   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    81   -82    76   3.62500 -1.0 2.0
   80    81    82    83   3.62500 -1.0 2.0
   80    81    87    86   3.62500 -1.0 2.0
   80    81    87    88   3.62500 -1.0 2.0
   81    82    83    84   3.62500 -1.0 2.0
   81    87    88    89   0.70000 -1.0 2.0
   81    87    88    90   0.70000 -1.0 2.0
   82    76    78    79   3.62500 -1.0 2.0
   82    76   -78    80   3.62500 -1.0 2.0
   82    81    87    86   3.62500 -1.0 2.0
   82    81    87    88   3.62500 -1.0 2.0
   82    83    84    85   3.62500 -1.0 2.0
   82    83   -84    86   3.62500 -1.0 2.0
   83    84    86    87   3.62500 -1.0 2.0
   84    86   -87    81   3.62500 -1.0 2.0
   84    86    87    88   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    87    88    89   0.70000 -1.0 2.0
   86    87    88    90   0.70000 -1.0 2.0
   87    81    82    76   3.00000 -1.0 2.0
   87    81   -82    83   3.62500 -1.0 2.0
   77    64    66    67   0.23400  1.0 3.0
   77    64   -66    68   0.62750  1.0 1.0
   77    64   -66    68  -0.30950 -1.0 2.0
   77    64   -66    68   0.27300  1.0 3.0
   77    64    66    70   3.69350  1.0 1.0
   77    64    66    70  -1.82950 -1.0 2.0
   77    72    76    78   0.10350  1.0 1.0
   77    72    76    78  -0.15350 -1.0 2.0
   77    72    76    82   0.10350  1.0 1.0
   77    72    76    82  -0.15350 -1.0 2.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   2.76900  1.0 1.0
   74    68    72    76  -0.24350 -1.0 2.0
   74    68    72    76  -0.78250  1.0 3.0
   74    68    72    77   3.69350  1.0 1.0
   74    68    72    77  -1.82950 -1.0 2.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    72   0.86500  1.0 1.0
   70    66    68    72  -0.17500 -1.0 2.0
   70    66    68    72   0.20800  1.0 3.0
   70    66    68    74   3.75450  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49   0.86500  1.0 1.0
   46    40    44    49  -0.17500 -1.0 2.0
   46    40    44    49   0.20800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
   78    82    76    72   4.00000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    87    81    80   4.00000 -1.0 2.0
   81    83    82    76   4.00000 -1.0 2.0
   86    85    84    83   1.10000 -1.0 2.0
   86    88    87    81   4.00000 -1.0 2.0
   90    87    88    89   1.00000 -1.0 2.0
END
