* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    150    245     435
    1     0 S   NP   _N1_     1    28.58235    94.89626   -23.12859
    2     1 S   H    _HN1     2     1.02778   101.10536   -67.46525
    3     1 S   H    _H1_     3     1.02960    78.88738    39.27815
    4     1 S   H    _H2_     4     1.02835    33.29055  -173.23201
    5     1 S   CT   _CA1     5     1.50131   139.18479   147.66407
    6     5 S   HC   _HA1     6     1.09577   105.20818    80.86188
    7     5 S   CO3  _C1_     7     1.53767   112.39730   -39.29714
    8     7 S   O2Z  _O11     8     1.26358   114.99317   -43.45944
    9     7 S   O2Z  _O12     9     1.26238   114.91619   135.64180
   10     5 S   CT   _CB1    10     1.53091   107.41821  -161.26467
   11    10 S   HC   HB11    11     1.09827   109.25768   -50.91782
   12    10 S   HC   HB12    12     1.09817   110.44542    65.60772
   13    10 S   CT   _CG1    13     1.53021   112.71662  -172.02474
   14    13 S   HC   HG11    14     1.09595   110.47412   -65.30327
   15    13 S   HC   HG12    15     1.09658   109.94641    53.93090
   16    13 S   C    _CD1    16     1.51823   112.29442   174.23156
   17    16 S   O    _OE1    17     1.22742   123.28581     0.27411
   18    16 S   N    _N2_    18     1.38649   111.70450  -179.55413
   19    18 S   H    _HN2    19     1.01602   119.09540     0.42151
   20    18 S   CT1  _CA2    20     1.46095   123.24450   178.90300
   21    20 S   HC   _HA2    21     1.09758   109.25360    -7.40690
   22    20 S   C    _C2_    22     1.53423   108.74475  -122.69008
   23    22 S   O    _O2_    23     1.23031   122.15017  -147.34864
   24    20 S   CT   _CB2    32     1.53505   111.82743   114.46360
   25    24 S   HC   HB21    33     1.09524   109.70280    54.69129
   26    24 S   HC   HB22    34     1.09257   109.63004   173.41966
   27    22 S   N    _N3_    24     1.38475   113.48985    40.49854
   28    27 S   H    _HN3    25     1.01498   119.01109    -0.99858
   29    24 S   S    _SG2    35     1.82942   111.26808   -65.53714
   30    27 S   CT   _CA3    26     1.45425   123.23017   174.08822
   31    30 S   HC   HA31    27     1.09537   108.98009    29.56242
   32    30 S   HC   HA32    28     1.09484   107.20232   146.60741
   33    29 S   CT   _C18    36     1.88681   102.91199  -159.23994
   34    30 S   CO3  _C3_    29     1.52973   113.25759   -93.65395
   35    34 S   O2Z  _O31    30     1.26394   115.52459   -40.60195
   36    34 S   O2Z  _O32    31     1.26369   114.89541   140.25762
   37    33 S   CT   _C16    37     1.56503   105.30140  -171.29843
   38    37 S   HC   _H13    38     1.09438   110.55025  -173.40260
   39    37 S   HC   _H14    39     1.09510   110.51454   -56.34869
   40    33 S   CT   _C20    68     1.56007   110.24645    69.26519
   41    40 S   HC   _H18    69     1.09631   111.76788   -67.61931
   42    40 S   HC   _H19    70     1.09678   111.27757   174.32308
   43    37 S   S    _S2_    40     1.83969   117.11210    63.88409
   44    40 S   NAP  _N5_    71     1.49013   114.86907    54.82688
   45    43 S   C4T  _C17    41     1.81819    97.03069    53.62827
   46    45 S   HC   _H15    42     1.09452   115.12403    80.10873
   47    44 S   CA   _C11    72     1.35350   119.98193   -96.51241
   48    47 S   HA   _H10    73     1.08332   117.33647     1.56323
   49    45 S   C4T  _C4_    43     1.55609   113.62902  -142.95170
   50    49 S   HC   _H4_    44     1.09610   117.00815    -1.55192
   51    45 S   N4   _N6_    47     1.45068   108.92977   -48.05149
   52    47 S   CA   _C7_    74     1.38857   121.04875  -178.24097
   53    52 S   HA   _H6_    75     1.08548   120.31307  -179.11441
   54    49 S   C4   _C5_    45     1.55302    85.16473   111.16298
   55    54 S   O    _O1_    46     1.20889   136.56952   179.18483
   56    33 S   CT1  _C21    48     1.56717   110.33243   -51.41407
   57    56 S   HC   _H20    49     1.09540   109.70858    47.14564
   58    49 S   N    _N4_    53     1.47868   114.37362  -134.74675
   59    58 S   H    _H3_    54     1.01704   119.36699  -103.15116
   60    52 S   CA   _C6_    76     1.38744   119.18494     1.34290
   61    60 S   HA   _H5_    77     1.08609   120.25643   179.87805
   62    56 S   CO3  _C22    50     1.54994   115.00840   164.91864
   63    62 S   O2Z  _O3_    51     1.26400   114.59875  -125.03600
   64    62 S   O2Z  _O4_    52     1.26190   116.09158    54.26613
   65    58 S   C    _C15    55     1.38572   122.17917    75.26099
   66    65 S   O    _O33    56     1.22944   124.49015     0.94688
   67    60 S   CA   _C8_    78     1.38750   119.46470     0.66323
   68    67 S   HA   _H7_    79     1.08542   120.46966   178.90747
   69    65 S   CT   _C19    57     1.51426   113.38610  -177.55367
   70    69 S   HC   _H16    58     1.09576   111.05511   -22.56748
   71    69 S   HC   _H17    59     1.09632   108.03645  -139.21465
   72    44 S   CA   _C12    80     1.35351   119.83733    88.54001
   73    72 S   HA   _H11    81     1.08399   117.17389    -1.87597
   74    69 S   C5A  _C14    60     1.49520   108.84803   100.64388
   75    74 S   C5B  _C10    61     1.38091   128.14501    90.55468
   76    75 S   HA   _H9_    62     1.08293   123.36926    -0.09279
   77    75 S   C5B  _C9_    63     1.42445   112.38454  -179.76677
   78    77 S   HA   _H8_    64     1.08234   124.59650   179.78878
   79    77 S   C5A  _C13    65     1.37652   112.00451    -0.12820
   80    79 S   HA   _H12    66     1.08094   127.64439   179.92598
   81    74 S   SA   _S1_    67     1.71491   120.38819   -89.48754
  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  13   5   4   3
  18   2   1   1  14   5   4  14   5   4   8  10  12   6   8   4
  10   6   8   6   3   7   2   4   3   7   3   5   3   2   1   1
   7   4   3   2   8   4   3   1   1   7   6   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    62    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    51    56    57    62    63    64    40    41    42    44    47    72  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    62    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    67    72    73    43    51    56    57    62  
   42    44    47    72    56  
   44    47    72    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    67    68    72    73    56  
   46    49    50    54    55    51    56    57    62    58    59    65  
   49    50    54    51    56    58  
   48    52    53    60    61    67    72    73  
   52    53    60    72  
   50    54    55    51    56    58    59    65    66    69  
   54    55    51    58    59    65  
   56    57    62    63    64    58    54    55  
   53    60    61    67    68    72  
   60    61    67  
   55    56    57    62    58    59    65  
   56    58  
   57    62    63    64  
   62    63    64  
   59    65    66    69    70    71    74  
   65    66    69  
   61    67    68    72    73  
   67    68    72  
   63    64  
   64  
    0  
   66    69    70    71    74    75    81  
   69    70    71    74  
   68    72    73  
   72    73  
   70    71    74    75    76    77    79    81  
   71    74    75    81  
   74    75    81  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78    79    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.167500   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   81   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
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   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    54   250.000  1.540
   49    58   337.000  1.449
   54    55   930.000  1.212
   54    51   440.000  1.369
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   295.000  1.489
   74    75   520.000  1.370
   74    81   265.000  1.745
   75    76   367.000  1.080
   75    77   400.000  1.425
   77    78   367.000  1.080
   77    79   520.000  1.370
   79    80   367.000  1.080
   79    81   265.000  1.745
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   280.000  1.457
   44    47   485.000  1.342
   44    72   485.000  1.342
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    73   367.000  1.080
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    75.00000  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    51    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  109.47200
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    51    54   100.00000   93.00000
   45    51    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    51    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    65    50.00000  121.90000
   54    49    50    40.00000  113.37500
   54    51    56    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    54    55    75.00000  131.60000
   51    56    57    35.00000  109.50000
   51    56    62    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    62    63    70.00000  117.00000
   56    62    64    70.00000  117.00000
   62    56    57    35.00000  109.50000
   64    62    63    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    65    66    80.00000  122.90000
   58    65    69    70.00000  116.60000
   65    58    59    35.00000  119.80000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    74    70.00000  110.34000
   69    65    66    80.00000  120.40000
   69    74    75    55.00000  130.44200
   69    74    81    65.00000  123.52500
   71    69    70    33.00000  107.80000
   74    69    70    45.00000  110.47400
   74    69    71    45.00000  110.47400
   74    75    76    35.00000  128.20000
   74    75    77    75.00000  112.39000
   74    81    79   110.00000   90.41100
   75    77    78    35.00000  125.69000
   75    77    79    75.00000  112.39000
   77    75    76    35.00000  125.69000
   77    79    80    35.00000  130.70000
   77    79    81    80.00000  111.29200
   79    77    78    35.00000  128.20000
   81    74    75    80.00000  111.29200
   81    79    80    40.00000  122.38200
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    70.00000  119.18700
   40    44    72    70.00000  119.18700
   42    40    41    33.00000  107.80000
   44    40    41    50.00000  106.41000
   44    40    42    50.00000  106.41000
   44    47    48    45.00000  112.84900
   44    47    52    70.00000  119.29800
   44    72    67    70.00000  119.29800
   44    72    73    45.00000  112.84900
   47    52    53    35.00000  120.00000
   47    52    60    63.00000  120.00000
   52    47    48    35.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    67    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    72    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    72    73    35.00000  120.00000
   72    44    47    70.00000  123.81700
   72    67    68    35.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    51   0.71400  1.0 1.0
   29    33    56    51   0.04300 -1.0 2.0
   29    33    56    51   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62  -2.17200  1.0 1.0
   29    33    56    62  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    62    63   0.00000  1.0 1.0
   33    56    62    64   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   33    40    44    72   0.00000  1.0 1.0
   37    33    56    51   0.42250  1.0 1.0
   37    33    56    51  -0.48100 -1.0 2.0
   37    33    56    51   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    62  -0.84850  1.0 1.0
   37    33    56    62  -0.22800 -1.0 2.0
   37    33    56    62   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45   -51    54   0.00000  1.0 1.0
   43    45    51    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    51   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    65  -0.43950  1.0 1.0
   45    49    58    65  -0.08100 -1.0 2.0
   45    49    58    65   0.03350  1.0 3.0
   45    51   -56    33   0.00000  1.0 1.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    62   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45   -51    54   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45   -51    54   0.00000  1.0 1.0
   49    45    51    56   0.00000  1.0 1.0
   49    54   -51    45   3.00000 -1.0 2.0
   49    54   -51    56   3.00000 -1.0 2.0
   49    58    65    66   3.04450 -1.0 2.0
   49    58    65    69   1.49850  1.0 1.0
   49    58    65    69   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    51   0.00000  1.0 1.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    65   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    65  -0.42300  1.0 1.0
   54    49    58    65  -0.07000 -1.0 2.0
   54    49    58    65   0.04150  1.0 3.0
   54    51    56    33   0.00000  1.0 1.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    62   0.00000  1.0 1.0
   55    54   -51    45   3.00000 -1.0 2.0
   55    54    51    56   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    54   3.00000 -1.0 2.0
   51    45    49    58   2.20050  1.0 1.0
   51    45    49    58   0.63450 -1.0 2.0
   51    45    49    58  -0.91300  1.0 3.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.56750  1.0 1.0
   56    33    40    44  -0.07550 -1.0 2.0
   56    33    40    44   0.20000  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    51   0.00000  1.0 1.0
   58    65    69    70   0.00000  1.0 1.0
   58    65    69    71   0.00000  1.0 1.0
   58    65    69    74   0.00000  1.0 1.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    69   2.45000 -1.0 2.0
   65    69    74    75   0.04300 -1.0 2.0
   65    69    74    81   0.04300 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    74   0.30150 -1.0 2.0
   69    74    75    76   3.62500 -1.0 2.0
   69    74    75    77   3.62500 -1.0 2.0
   69    74    81    79   3.62500 -1.0 2.0
   70    69    74    75   0.00000  1.0 1.0
   70    69    74    81   0.00000  1.0 1.0
   71    69    74    75   0.00000  1.0 1.0
   71    69    74    81   0.00000  1.0 1.0
   74    75    77    78   3.62500 -1.0 2.0
   74    75   -77    79   3.62500 -1.0 2.0
   75    74   -81    79   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77   -79    81   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
   77    79   -81    74   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   80    79    81    74   3.62500 -1.0 2.0
   81    74    75    76   3.62500 -1.0 2.0
   81    74   -75    77   3.62500 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    51   0.42250  1.0 1.0
   40    33    56    51  -0.48100 -1.0 2.0
   40    33    56    51   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    62  -0.84850  1.0 1.0
   40    33    56    62  -0.22800 -1.0 2.0
   40    33    56    62   0.29250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    52   3.62500 -1.0 2.0
   40    44    72    67   3.62500 -1.0 2.0
   40    44    72    73   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    72   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    72   0.00000  1.0 1.0
   44    47    52    53   3.62500 -1.0 2.0
   44    47    52    60   3.62500 -1.0 2.0
   47    44    72    67   3.62500 -1.0 2.0
   47    44    72    73   3.62500 -1.0 2.0
   47    52    60    61   3.62500 -1.0 2.0
   47    52   -60    67   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    60   3.62500 -1.0 2.0
   52    60    67    68   3.62500 -1.0 2.0
   52    60    67    72   3.62500 -1.0 2.0
   53    52    60    61   3.62500 -1.0 2.0
   53    52    60    67   3.62500 -1.0 2.0
   60    67   -72    44   3.62500 -1.0 2.0
   60    67    72    73   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    72   3.62500 -1.0 2.0
   68    67    72    44   3.62500 -1.0 2.0
   68    67    72    73   3.62500 -1.0 2.0
   72    44    47    48   3.62500 -1.0 2.0
   72    44   -47    52   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   49    51    54    55  10.50000 -1.0 2.0
   56    54    51    45   1.00000 -1.0 2.0
   63    56    62    64  10.50000 -1.0 2.0
   59    65    58    49   1.00000 -1.0 2.0
   58    69    65    66  10.50000 -1.0 2.0
   75    81    74    69   4.00000 -1.0 2.0
   77    76    75    74   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   47    72    44    40   4.00000 -1.0 2.0
   52    48    47    44   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   67    61    60    52   1.10000 -1.0 2.0
   72    68    67    60   1.10000 -1.0 2.0
   67    73    72    44   1.10000 -1.0 2.0
END
