* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    166    251     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02129    37.08488  -158.09149
    3     1 S   H    _H1_     3     1.02123    99.73816   -49.95699
    4     1 S   H    _H2_     4     1.02045    78.34391    57.32591
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C10    36     1.81609    98.11809   -78.19431
   34    33 S   HC   _H4_    37     1.09752   107.31302    41.53440
   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   CT   _C11    38     1.52047   114.75147   -80.04533
   39    38 S   HC   _H5_    39     1.09585   113.51413    76.31767
   40    38 S   CT   _C12    40     1.52680   102.09152  -160.68246
   41    40 S   HC   _H6_    41     1.09819   111.93550   146.16794
   42    38 S   OH   _O45    89     1.42712   110.86297   -45.82600
   43    42 S   HO   _H20    90     0.96869   106.45221  -180.00000
   44    40 S   OS   _O33    42     1.44359   106.49435    28.95090
   45    40 S   CT   _C13    59     1.52291   113.00956   -89.80182
   46    45 S   HC   _H13    60     1.09170   110.04568   179.97202
   47    45 S   HC   _H14    61     1.09065   110.12292    59.08957
   48    33 S   CO   _C9_    43     1.52963   113.51761   163.63946
   49    48 S   HC   _H3_    44     1.11275   113.30829    40.38427
   50    45 S   OS   _O34    62     1.41705   108.67721   -60.51672
   51    48 S   N*   _N6_    45     1.50900   114.55321   -80.63718
   52    50 S   P2   _P1_    63     1.63627   119.21406  -179.97202
   53    52 S   O2Z  _O36    64     1.51251   108.21300  -179.97202
   54    52 S   O2Z  _O35    65     1.51296   109.45249    46.59581
   55    51 S   CRAB _C8_    46     1.37021   126.01136    95.24352
   56    55 S   HA   _H12    47     1.08103   122.30105    -0.13988
   57    52 S   OS   _O37    66     1.63362    99.17501   -67.13544
   58    55 S   NNA  _N7_    48     1.31681   112.09692   179.81762
   59    57 S   P2   _P2_    67     1.63395   129.93703  -180.00000
   60    59 S   O2Z  _O39    68     1.51319   108.31902    67.25109
   61    59 S   O2Z  _O38    69     1.51294   108.75620   -65.68552
   62    58 S   C56B _C6_    49     1.37241   104.89940     0.02798
   63    59 S   OS   _O40    70     1.63527    99.22035  -179.97202
   64    51 S   C56A _C7_    50     1.36594   126.88893   -84.90592
   65    63 S   CT   _C14    71     1.41833   119.15051    47.10624
   66    65 S   HC   _H15    72     1.09346   108.82887   -89.39013
   67    65 S   HC   _H16    73     1.09402   108.80185    29.43550
   68    64 S   NB   _N5_    51     1.34207   127.56761     0.08393
   69    65 S   CT   _C15    74     1.51854   108.97873   150.01458
   70    69 S   HC   _H7_    75     1.09762   108.68894    63.59746
   71    68 S   CQ   _C4_    52     1.35107   110.41010  -179.92598
   72    71 S   HA   _H11    53     1.08551   115.56464  -179.98022
   73    69 S   CT   _C16    76     1.51974   113.35911   -60.42997
   74    73 S   HC   _H8_    77     1.09685   110.85209   -36.93781
   75    71 S   NB   _N4_    54     1.35455   128.86860     0.02798
   76    73 S   CT   _C17    78     1.51573   101.68605  -153.62954
   77    76 S   HC   _H9_    79     1.09358   112.62514   162.26150
   78    73 S   OH   _O44    87     1.41189   112.05759    84.95181
   79    78 S   HO   _H19    88     0.97289   107.30034   174.35451
   80    62 S   CA   _C5_    55     1.39086   132.39787   179.97202
   81    76 S   CO   _C18    80     1.52162   101.21582    39.26421
   82    81 S   HC   _H10    81     1.09448   112.79339  -151.75955
   83    76 S   OH   _O43    85     1.42389   109.91996   -76.32117
   84    83 S   HO   _H18    86     0.97003   106.64897  -179.97202
   85    80 S   NND  _N8_    56     1.40538   120.74565     0.01978
   86    85 S   H    _H21    57     1.00211   119.41550    -3.11093
   87    85 S   H    _H22    58     1.00237   119.48865  -176.88781
   88    69 S   OS   _O41    82     1.43873   109.70173  -178.55396
   89    81 S   OH   _O42    83     1.42243   109.08274    86.48024
   90    89 S   HO   _H17    84     0.97043   106.68239  -179.98022
  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
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   8   7   3   2   6   3   5   6   7   3   2   8   7   6
  10   5   4   4  12   6   4   2  11   7   4  10   7   4   1   3
   6   4   3   1   2   1   1   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    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    64    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    64    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    58    62    64    68  
   51    55    64  
   52    53    54    57    59  
   55    56    58    62    64    68    71    80  
   53    54    57    59    60    61    63  
   54    57    59  
   57    59  
   56    58    62    64    68    80  
   58    62    64  
   59    60    61    63    65  
   62    64    68    75    80    85  
   60    61    63    65    66    67    69  
   61    63    65  
   63    65  
   64    68    71    75    80    85    86    87  
   65    66    67    69    70    73    88  
   68    71    72    75    80    85  
   66    67    69    70    73    74    76    81    88    78  
   67    69    70    73    88  
   69    70    73    88  
   71    72    75    80  
   70    73    74    76    77    81    82    88    89    83    78    79  
   73    74    76    81    88    78  
   72    75    80    85  
   75    80  
   74    76    77    81    82    88    89    83    84    78    79  
   76    77    81    88    83    78    79  
   80    85    86    87  
   77    81    82    88    89    90    83    84    78    79  
   81    82    88    89    83    84    78  
   79    81    83    88  
    0  
   85    86    87  
   82    88    89    90    83    84  
   88    89    90    83  
   84    88    89  
    0  
   86    87  
   87  
    0  
   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  -0.335000   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   0.205000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   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   250.000  1.527
   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   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   440.000  1.371
   51    64   436.000  1.374
   55    56   367.000  1.080
   55    58   529.000  1.304
   58    62   414.000  1.391
   62    64   447.000  1.419
   62    80   469.000  1.404
   64    68   461.000  1.354
   68    71   502.000  1.324
   71    72   367.000  1.080
   71    75   502.000  1.324
   75    80   483.000  1.339
   80    85   481.000  1.340
   85    86   434.000  1.010
   85    87   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    63   230.000  1.697
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    88   320.000  1.410
   73    74   340.000  1.090
   73    76   268.000  1.529
   73    78   320.000  1.410
   76    77   340.000  1.090
   76    81   250.000  1.527
   76    83   320.000  1.410
   81    82   340.000  1.090
   81    88   320.000  1.380
   81    89   380.000  1.407
   89    90   553.000  0.945
   83    84   553.000  0.945
   78    79   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    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  128.80000
   48    51    64    70.00000  125.80000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  123.05000
   51    55    58    70.00000  113.90000
   51    64    62    70.00000  106.20000
   51    64    68    70.00000  126.20000
   55    58    62    70.00000  103.80000
   58    55    56    35.00000  123.05000
   58    62    64    70.00000  110.40000
   58    62    80    70.00000  132.40000
   62    64    68    70.00000  127.70000
   62    80    75    70.00000  117.30000
   62    80    85    70.00000  123.50000
   64    51    55    70.00000  105.40000
   64    68    71    70.00000  111.00000
   68    71    72    35.00000  115.45000
   68    71    75    70.00000  129.10000
   71    75    80    70.00000  118.60000
   75    71    72    35.00000  115.45000
   75    80    85    70.00000  119.30000
   80    62    64    85.00000  116.20000
   80    85    86    35.00000  120.00000
   80    85    87    35.00000  120.00000
   87    85    86    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    59    50.00000  132.62000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   57    59    60   100.00000  108.23000
   57    59    61   100.00000  108.23000
   57    59    63    45.00000  102.60000
   59    63    65   100.00000  120.50000
   61    59    60   140.00000  119.90000
   63    59    60   100.00000  108.23000
   63    59    61   100.00000  108.23000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    69    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    88    50.00000  109.50000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    76    58.35000  112.70000
   69    73    78    50.00000  109.50000
   69    88    81    60.00000  109.50000
   73    69    70    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    81    75.00000  109.43000
   73    76    83    50.00000  109.50000
   73    78    79    55.00000  108.50000
   76    73    74    37.50000  110.70000
   76    81    82    45.00000  112.01100
   76    81    88    90.00000  108.56700
   76    81    89    90.00000  110.19100
   76    83    84    55.00000  108.50000
   81    76    77    45.00000  108.72000
   81    89    90    70.00000  107.92000
   88    69    70    35.00000  109.50000
   88    69    73    50.00000  109.50000
   88    81    82    35.00000  109.50000
   89    81    82    60.00000  108.02500
   89    81    88   110.00000  112.08000
   83    76    77    35.00000  109.50000
   83    76    81    90.00000  111.58700
   78    73    74    35.00000  109.50000
   78    73    76    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   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.44750  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   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  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
   33    48    51    55   1.10250  1.0 1.0
   33    48    51    55   0.01650 -1.0 2.0
   33    48    51    55   0.39100  1.0 3.0
   33    48    51    64   1.10250  1.0 1.0
   33    48    51    64   0.01650 -1.0 2.0
   33    48    51    64   0.39100  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   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.64600  1.0 1.0
   38    33    48    51   0.58400 -1.0 2.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  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    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55   0.10350  1.0 1.0
   44    48    51    55  -0.15350 -1.0 2.0
   44    48    51    64   0.10350  1.0 1.0
   44    48    51    64  -0.15350 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   48    51    64    62   0.81400  1.0 1.0
   48    51    64    62   1.55550 -1.0 2.0
   48    51    64    68   3.62500 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    64   0.00000  1.0 1.0
   51    55   -58    62   3.62500 -1.0 2.0
   51    64    68    71   3.62500 -1.0 2.0
   55    51   -64    62   0.70250  1.0 1.0
   55    51   -64    62   1.56150 -1.0 2.0
   55    51    64    68   3.62500 -1.0 2.0
   55    58   -62    64   3.62500 -1.0 2.0
   55    58    62    80   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62   -64    51   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    80    75   3.62500 -1.0 2.0
   58    62    80    85   3.62500 -1.0 2.0
   62    64    68    71   3.62500 -1.0 2.0
   62    80    85    86   0.70000 -1.0 2.0
   62    80    85    87   0.70000 -1.0 2.0
   64    51    55    56   3.62500 -1.0 2.0
   64    51   -55    58   3.62500 -1.0 2.0
   64    62    80    75   3.62500 -1.0 2.0
   64    62    80    85   3.62500 -1.0 2.0
   64    68    71    72   3.62500 -1.0 2.0
   64    68   -71    75   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   71    75   -80    62   3.62500 -1.0 2.0
   71    75    80    85   3.62500 -1.0 2.0
   72    71    75    80   3.62500 -1.0 2.0
   75    80    85    86   0.70000 -1.0 2.0
   75    80    85    87   0.70000 -1.0 2.0
   80    62    64    51   3.00000 -1.0 2.0
   80    62   -64    68   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   52    57    59    60   0.50000  1.0 3.0
   52    57    59    61   0.50000  1.0 3.0
   52    57    59    63   0.15000  1.0 3.0
   53    52    57    59   0.50000  1.0 3.0
   54    52    57    59   0.50000  1.0 3.0
   57    59    63    65   0.05050  1.0 1.0
   57    59    63    65  -1.30700 -1.0 2.0
   57    59    63    65   0.91550  1.0 3.0
   59    63    65    66   0.03000  1.0 3.0
   59    63    65    67   0.03000  1.0 3.0
   59    63    65    69  -2.65550  1.0 1.0
   59    63    65    69  -0.22350 -1.0 2.0
   59    63    65    69   0.24150  1.0 3.0
   60    59    63    65   0.00000  1.0 1.0
   61    59    63    65   0.00000  1.0 1.0
   63    65    69    70   0.23400  1.0 3.0
   63    65    69    73   0.62750  1.0 1.0
   63    65    69    73  -0.30950 -1.0 2.0
   63    65    69    73   0.27300  1.0 3.0
   63    65    69    88   1.11900  1.0 1.0
   63    65    69    88  -1.16350 -1.0 2.0
   63    65    69    88  -0.34150  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    76   0.56750  1.0 1.0
   65    69    73    76  -0.07550 -1.0 2.0
   65    69    73    76   0.20000  1.0 3.0
   65    69    73    78   0.86500  1.0 1.0
   65    69    73    78  -0.17500 -1.0 2.0
   65    69    73    78   0.20800  1.0 3.0
   65    69    88    81   0.06250  1.0 1.0
   65    69    88    81  -0.01100 -1.0 2.0
   65    69    88    81   0.28050  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    88   0.23400  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    73   0.15000  1.0 3.0
   67    65    69    88   0.23400  1.0 3.0
   69    73    76    77   0.15000  1.0 3.0
   69    73   -76    81   3.97050  1.0 1.0
   69    73    76    83   0.86500  1.0 1.0
   69    73    76    83  -0.17500 -1.0 2.0
   69    73    76    83   0.20800  1.0 3.0
   69    73    78    79  -0.11600  1.0 1.0
   69    73    78    79  -0.09450 -1.0 2.0
   69    73    78    79   0.21250  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    73    78   0.23400  1.0 3.0
   70    69    88    81   0.37050  1.0 3.0
   73    69   -88    81   0.06250  1.0 1.0
   73    69   -88    81  -0.01100 -1.0 2.0
   73    69   -88    81   0.28050  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76   -81    88   0.62750  1.0 1.0
   73    76   -81    88  -0.30950 -1.0 2.0
   73    76   -81    88   0.27300  1.0 3.0
   73    76    81    89   0.86500  1.0 1.0
   73    76    81    89  -0.17500 -1.0 2.0
   73    76    81    89   0.20800  1.0 3.0
   73    76    83    84  -0.11600  1.0 1.0
   73    76    83    84  -0.09450 -1.0 2.0
   73    76    83    84   0.21250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   74    73    76    83   0.23400  1.0 3.0
   74    73    78    79   0.19450  1.0 3.0
   76    73    78    79  -0.11600  1.0 1.0
   76    73    78    79  -0.09450 -1.0 2.0
   76    73    78    79   0.21250  1.0 3.0
   76    81   -88    69   0.06250  1.0 1.0
   76    81   -88    69  -0.01100 -1.0 2.0
   76    81   -88    69   0.28050  1.0 3.0
   76    81    89    90  -0.11600  1.0 1.0
   76    81    89    90  -0.09450 -1.0 2.0
   76    81    89    90   0.21250  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    88   0.23400  1.0 3.0
   77    76    81    89   0.23400  1.0 3.0
   77    76    83    84   0.19450  1.0 3.0
   81    76    83    84  -0.11600  1.0 1.0
   81    76    83    84  -0.09450 -1.0 2.0
   81    76    83    84   0.21250  1.0 3.0
   82    81    88    69   0.37050  1.0 3.0
   82    81    89    90   0.19450  1.0 3.0
   88    69    73    74   0.23400  1.0 3.0
   88    69   -73    76   0.62750  1.0 1.0
   88    69   -73    76  -0.30950 -1.0 2.0
   88    69   -73    76   0.27300  1.0 3.0
   88    69    73    78   3.69350  1.0 1.0
   88    69    73    78  -1.82950 -1.0 2.0
   88    81    89    90  -0.50000  1.0 1.0
   88    81    89    90  -0.73950 -1.0 2.0
   88    81    89    90   0.17150  1.0 3.0
   89    81    88    69  -0.70900  1.0 1.0
   89    81    88    69  -1.18000 -1.0 2.0
   89    81    88    69   0.91650  1.0 3.0
   83    76    81    82   0.23400  1.0 3.0
   83    76    81    88   3.69350  1.0 1.0
   83    76    81    88  -1.82950 -1.0 2.0
   83    76    81    89   3.75450  1.0 1.0
   78    73    76    77   0.23400  1.0 3.0
   78    73    76    81   0.86500  1.0 1.0
   78    73    76    81  -0.17500 -1.0 2.0
   78    73    76    81   0.20800  1.0 3.0
   78    73    76    83   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   55    64    51    48   4.00000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   64    80    62    58   4.00000 -1.0 2.0
   62    68    64    51   4.00000 -1.0 2.0
   75    72    71    68   1.10000 -1.0 2.0
   75    85    80    62   4.00000 -1.0 2.0
   87    80    85    86   1.00000 -1.0 2.0
END
