* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    149    250     438
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055   106.32084    -7.01355
    3     1 S   H    _H1_     3     1.02136    51.71472    94.16163
    4     1 S   H    _H2_     4     1.02142    60.50257  -109.59664
    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   _C9_    36     1.87306    98.13533  -178.22436
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C13    37     1.52779   106.28201    60.02632
   38    33 S   CT   _C8_    58     1.56967   107.34225   -63.80925
   39    38 S   HC   _H10    59     1.09890   109.55239   154.10722
   40    38 S   HC   _H11    60     1.09551   113.14135    35.57706
   41    37 S   CA   _C14    38     1.39436   119.96676  -118.76863
   42    41 S   HA   _H12    39     1.08723   120.54503    -0.01978
   43    38 S   C4T  _C7_    61     1.53620   107.33894   -88.73471
   44    43 S   HC   _H5_    62     1.09716   112.28883  -131.59533
   45    41 S   CA   _C15    40     1.39459   119.98668   179.98022
   46    45 S   HA   _H13    41     1.08783   119.16456   179.91844
   47    43 S   C4T  _C6_    63     1.54700   125.20352    84.50295
   48    47 S   HC   _H4_    64     1.09716   112.88765     9.90119
   49    43 S   N4   _N4_    67     1.47392   103.00903   -11.08846
   50    45 S   CA   _C16    42     1.39464   120.02513     0.04423
   51    47 S   C4   _C11    65     1.53797    85.95232  -101.73229
   52    51 S   O    _O33    66     1.21079   135.68400   171.34869
   53    33 S   CT1  _C10    68     1.56058   109.48741  -174.36174
   54    53 S   HC   _H6_    69     1.08737   112.92383   -36.60316
   55    47 S   CT   _C5_    73     1.50808   117.78873   140.86887
   56    55 S   HC   _H3_    74     1.09921   110.18615    39.75536
   57    50 S   CA   _C17    43     1.39528   119.97638    -0.03956
   58    57 S   HA   _H14    44     1.08783   120.86851  -179.94405
   59    50 S   CA   _C19    47     1.44628   120.04666   179.95154
   60    53 S   CO3  _C12    70     1.52343   113.02355  -160.76952
   61    60 S   O2Z  _O35    71     1.26215   115.26033   -53.62228
   62    60 S   O2Z  _O34    72     1.26255   114.81089   126.38239
   63    55 S   CT   _C4_    75     1.52617   112.40093   -81.90652
   64    63 S   HC   _H7_    76     1.09463   111.02338   -57.60146
   65    63 S   HC   _H8_    77     1.09506   110.88054  -178.50590
   66    63 S   HC   _H9_    78     1.09550   110.85173    63.17948
   67    55 S   OH   _O36    79     1.42918   109.72473   157.21355
   68    67 S   HO   _H21    80     0.96836   106.35148  -179.97202
   69    37 S   CA   _C18    45     1.39497   119.99626    61.22636
   70    69 S   HA   _H15    46     1.08642   120.49278    -0.01978
   71    59 S   CA   _C20    48     1.39539   119.99990   -90.01273
   72    71 S   HA   _H16    49     1.08705   120.86923    -0.03956
   73    71 S   CA   _C21    50     1.39475   119.99509   179.97202
   74    73 S   HA   _H17    51     1.08633   119.96811   179.87805
   75    73 S   CA   _C22    52     1.39547   120.00509     0.02798
   76    75 S   HA   _H18    53     1.08546   119.95918   179.86438
   77    75 S   CA   _C23    54     1.39409   120.00907    -0.02798
   78    77 S   HA   _H19    55     1.08613   120.04021   179.92087
   79    59 S   CA   _C24    56     1.39547   120.00034    89.98622
   80    79 S   HA   _H20    57     1.08687   120.78977     0.03956
  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  12   5   4   3
  20   2   1   1  17  14   6   5   9   4  13   6   8   3  13   7
   8  11   8   2   5   3   7   6   6   3  10   2   1   1   5   3
   2   1   1   1   1   1   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    69    38    39    40    43    49    53    54    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    57    69    70    38    39    40    43    44    47    51    49    53    54    60    61    62  
   35    36  
   36  
    0  
   41    42    45    46    50    57    58    69    70    38    39    40    43    49    53    54    60  
   39    40    43    44    47    48    51    49    53    54    60    55    41    69  
   40    43    44    47    49    53  
   43    44    47    49    53  
   42    45    46    50    57    69    70    59    53  
   45    46    50    69  
   44    47    48    51    52    49    53    54    60    55    56    63    67  
   47    48    51    49    53    55  
   46    50    57    58    69    59    71    79  
   50    57    59  
   48    51    52    49    53    55    56    63    64    65    66    67    68  
   51    52    49    55    56    63    67  
   53    54    60    61    62    55    51    52  
   57    58    69    70    59    71    72    73    77    79    80  
   52    53    54    60    55    56    63    67  
   53    55  
   54    60    61    62    69  
   60    61    62  
   56    63    64    65    66    67    68  
   63    64    65    66    67    68  
   58    69    70    59    71    79  
   69    70    59  
   71    72    73    74    75    77    78    79    80    69  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67  
   67  
   68  
    0  
   70  
    0  
   72    73    74    75    76    77    79    80  
   73    74    75    79  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   268.000  1.529
   33    53   268.000  1.529
   37    41   469.000  1.400
   37    69   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    57   469.000  1.400
   50    59   375.000  1.464
   57    58   367.000  1.080
   57    69   469.000  1.400
   69    70   367.000  1.080
   59    71   469.000  1.400
   59    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   260.000  1.519
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   305.000  1.456
   47    48   340.000  1.090
   47    51   250.000  1.540
   47    55   260.000  1.519
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    67   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  108.68000
   33    37    41    70.00000  120.00000
   33    37    69    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.98000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    60    63.00000  111.10000
   37    41    42    35.00000  120.00000
   37    41    45    63.00000  120.00000
   37    69    57    63.00000  120.00000
   37    69    70    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    50    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    57    63.00000  120.00000
   45    50    59    60.00000  122.76000
   50    45    46    35.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    69    63.00000  120.00000
   50    59    71    60.00000  122.76000
   50    59    79    60.00000  122.76000
   57    69    70    35.00000  120.00000
   69    37    41    63.00000  120.00000
   69    57    58    35.00000  120.00000
   59    50    57    60.00000  122.76000
   59    71    72    35.00000  120.00000
   59    71    73    63.00000  120.00000
   59    79    77    63.00000  120.00000
   59    79    80    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    59    71    63.00000  120.00000
   79    77    78    35.00000  120.00000
   38    33    37    70.00000  112.17500
   38    43    44    45.00000  112.72800
   38    43    47    65.00000  119.52000
   38    43    49    80.00000  110.05700
   40    38    39    33.00000  107.80000
   43    38    39    45.00000  111.22300
   43    38    40    45.00000  111.22300
   43    47    48    37.50000  110.70000
   43    47    51   100.00000   86.36000
   43    47    55    65.00000  119.52000
   43    49    51   100.00000   93.00000
   43    49    53    50.00000  132.70000
   47    43    44    37.50000  110.70000
   47    51    52    60.00000  136.58000
   47    51    49    95.00000   92.72400
   47    55    56    45.00000  111.22300
   47    55    63    70.00000  112.98000
   47    55    67    50.00000  109.50000
   51    47    48    40.00000  113.37500
   51    49    53    50.00000  132.10000
   49    43    44    50.00000  112.01000
   49    43    47   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    60    63.00000  110.10000
   53    33    37    63.00000  114.00000
   53    33    38    58.35000  112.70000
   53    60    61    70.00000  117.00000
   53    60    62    70.00000  117.00000
   60    53    54    35.00000  109.50000
   62    60    61    80.00000  126.00000
   55    47    48    45.00000  112.72800
   55    47    51    63.00000  111.10000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    55.00000  108.50000
   63    55    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    56    35.00000  109.50000
   67    55    63    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    69  -0.16000  1.0 1.0
   29    33    37    69  -0.03200 -1.0 2.0
   29    33    37    69   0.04500  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    60  -2.17200  1.0 1.0
   29    33    53    60  -0.85700 -1.0 2.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    45   3.62500 -1.0 2.0
   33    37    69    57   3.62500 -1.0 2.0
   33    37    69    70   3.62500 -1.0 2.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.04050  1.0 1.0
   33    38    43    47   0.63700 -1.0 2.0
   33    38    43    47   0.17650  1.0 3.0
   33    38   -43    49   0.43900  1.0 1.0
   33    38   -43    49   0.49100 -1.0 2.0
   33    38   -43    49   0.28400  1.0 3.0
   33    53    60    61   0.00000  1.0 1.0
   33    53    60    62   0.00000  1.0 1.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    43  -0.03700  1.0 1.0
   37    33    38    43   0.37200 -1.0 2.0
   37    33    38    43  -0.47300  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.23100  1.0 3.0
   37    33    53    60  -0.84850  1.0 1.0
   37    33    53    60  -0.22800 -1.0 2.0
   37    33    53    60   0.29250  1.0 3.0
   37    41    45    46   3.62500 -1.0 2.0
   37    41    45    50   3.62500 -1.0 2.0
   41    37    69    57   3.62500 -1.0 2.0
   41    37    69    70   3.62500 -1.0 2.0
   41    45   -50    57   3.62500 -1.0 2.0
   41    45    50    59   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    69   3.62500 -1.0 2.0
   45    50    59    71  -0.19450  1.0 1.0
   45    50    59    71   0.63300 -1.0 2.0
   45    50    59    71   0.07450  1.0 3.0
   45    50    59    79  -0.19450  1.0 1.0
   45    50    59    79   0.63300 -1.0 2.0
   45    50    59    79   0.07450  1.0 3.0
   46    45    50    57   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    57   -69    37   3.62500 -1.0 2.0
   50    57    69    70   3.62500 -1.0 2.0
   50    59    71    72   3.62500 -1.0 2.0
   50    59    71    73   3.62500 -1.0 2.0
   50    59    79    77   3.62500 -1.0 2.0
   50    59    79    80   3.62500 -1.0 2.0
   57    50    59    71  -0.19450  1.0 1.0
   57    50    59    71   0.63300 -1.0 2.0
   57    50    59    71   0.07450  1.0 3.0
   57    50    59    79  -0.19450  1.0 1.0
   57    50    59    79   0.63300 -1.0 2.0
   57    50    59    79   0.07450  1.0 3.0
   58    57    69    37   3.62500 -1.0 2.0
   58    57    69    70   3.62500 -1.0 2.0
   69    37    41    42   3.62500 -1.0 2.0
   69    37   -41    45   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   59    50    57    69   3.62500 -1.0 2.0
   59    71    73    74   3.62500 -1.0 2.0
   59    71    73    75   3.62500 -1.0 2.0
   71    59    79    77   3.62500 -1.0 2.0
   71    59    79    80   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    59   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    59   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    59    71    72   3.62500 -1.0 2.0
   79    59   -71    73   3.62500 -1.0 2.0
   38    33    37    41   0.04150 -1.0 2.0
   38    33    37    69   0.04150 -1.0 2.0
   38    33   -53    49   0.42250  1.0 1.0
   38    33   -53    49  -0.48100 -1.0 2.0
   38    33   -53    49   0.35650  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    60  -0.84850  1.0 1.0
   38    33    53    60  -0.22800 -1.0 2.0
   38    33    53    60   0.29250  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43    47    51  -0.95700  1.0 1.0
   38    43    47    51  -0.18200 -1.0 2.0
   38    43    47    51   0.29450  1.0 3.0
   38    43    47    55   0.56750  1.0 1.0
   38    43    47    55  -0.07550 -1.0 2.0
   38    43    47    55   0.20000  1.0 3.0
   38    43   -49    51   0.00000  1.0 1.0
   38    43   -49    53   0.00000  1.0 1.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.00000  1.0 1.0
   39    38    43    49   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.00000  1.0 1.0
   40    38    43    49   0.15000  1.0 3.0
   43    47    51    52  -0.11250  1.0 1.0
   43    47    51    52   0.11400 -1.0 2.0
   43    47    51    52  -0.28950  1.0 3.0
   43    47   -51    49   3.00000 -1.0 2.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    63   0.04050  1.0 1.0
   43    47    55    63   0.63700 -1.0 2.0
   43    47    55    63   0.17650  1.0 3.0
   43    47    55    67   0.86500  1.0 1.0
   43    47    55    67  -0.17500 -1.0 2.0
   43    47    55    67   0.20800  1.0 3.0
   43    49   -53    33   0.00000  1.0 1.0
   43    49    53    54   0.00000  1.0 1.0
   43    49    53    60   0.00000  1.0 1.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    55   0.15000  1.0 3.0
   44    43   -49    51   0.00000  1.0 1.0
   44    43    49    53   0.00000  1.0 1.0
   47    43   -49    51   0.00000  1.0 1.0
   47    43    49    53   0.00000  1.0 1.0
   47    51   -49    43   3.00000 -1.0 2.0
   47    51   -49    53   3.00000 -1.0 2.0
   47    55    63    64   0.15000  1.0 3.0
   47    55    63    65   0.15000  1.0 3.0
   47    55    63    66   0.15000  1.0 3.0
   47    55    67    68  -0.11600  1.0 1.0
   47    55    67    68  -0.09450 -1.0 2.0
   47    55    67    68   0.21250  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49   0.00000  1.0 1.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    63   0.15000  1.0 3.0
   48    47    55    67   0.23400  1.0 3.0
   51    47    55    56  -0.11250  1.0 3.0
   51    47    55    63  -0.95700  1.0 1.0
   51    47    55    63  -0.18200 -1.0 2.0
   51    47    55    63   0.29450  1.0 3.0
   51    47    55    67  -0.09450  1.0 1.0
   51    47    55    67  -1.12950 -1.0 2.0
   51    47    55    67   0.54000  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    60   0.00000  1.0 1.0
   52    51   -49    43   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    43   -47    48   0.15000  1.0 3.0
   49    43   -47    51   3.00000 -1.0 2.0
   49    43    47    55   0.43900  1.0 1.0
   49    43    47    55   0.49100 -1.0 2.0
   49    43    47    55   0.28400  1.0 3.0
   49    53    60    61   0.00000  1.0 1.0
   49    53    60    62   0.00000  1.0 1.0
   53    33    37    41   0.00000  1.0 1.0
   53    33    37    69   0.00000  1.0 1.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    43   0.31550 -1.0 2.0
   53    33   -38    43   0.11250  1.0 3.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   55    47    51    52   0.30150 -1.0 2.0
   55    47   -51    49   1.39750  1.0 1.0
   55    47   -51    49  -0.07950 -1.0 2.0
   55    47   -51    49  -0.18750  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   56    55    67    68   0.19450  1.0 3.0
   63    55    67    68  -0.11600  1.0 1.0
   63    55    67    68  -0.09450 -1.0 2.0
   63    55    67    68   0.21250  1.0 3.0
   67    55    63    64   0.23400  1.0 3.0
   67    55    63    65   0.23400  1.0 3.0
   67    55    63    66   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   41    69    37    33   4.00000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   50    46    45    41   1.10000 -1.0 2.0
   57    59    50    45   4.00000 -1.0 2.0
   69    58    57    50   1.10000 -1.0 2.0
   57    70    69    37   1.10000 -1.0 2.0
   71    79    59    50   4.00000 -1.0 2.0
   73    72    71    59   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    59   1.10000 -1.0 2.0
   47    49    51    52  10.50000 -1.0 2.0
   53    51    49    43   1.00000 -1.0 2.0
   61    53    60    62  10.50000 -1.0 2.0
END
