* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    237     443
    1     0 S   NP   _N1_     1    29.17922    97.55864   -19.46021
    2     1 S   H    _HN1     2     1.02786    78.27098   -90.20693
    3     1 S   H    _H1_     3     1.02948    73.88495    22.99817
    4     1 S   H    _H2_     4     1.02834    55.20959   148.08843
    5     1 S   CT   _CA1     5     1.50142   165.48784   132.54252
    6     5 S   HC   _HA1     6     1.09585   105.17350    73.09613
    7     5 S   CO3  _C1_     7     1.53800   112.10477   -46.94886
    8     7 S   O2Z  _O11     8     1.26369   115.02360   -50.00043
    9     7 S   O2Z  _O12     9     1.26225   114.83462   128.62662
   10     5 S   CT   _CB1    10     1.53046   107.35504  -169.21823
   11    10 S   HC   HB11    11     1.09834   109.29184   -50.65197
   12    10 S   HC   HB12    12     1.09812   110.51988    65.89762
   13    10 S   CT   _CG1    13     1.52998   112.63428  -171.66466
   14    13 S   HC   HG11    14     1.09613   110.51339   -64.88259
   15    13 S   HC   HG12    15     1.09659   109.93846    54.37163
   16    13 S   C    _CD1    16     1.51850   112.11051   174.66021
   17    16 S   O    _OE1    17     1.22745   123.24746     1.86435
   18    16 S   N    _N2_    18     1.38614   111.72740  -178.08327
   19    18 S   H    _HN2    19     1.01580   118.99126     1.77189
   20    18 S   CT1  _CA2    20     1.46336   123.38751   179.97202
   21    20 S   HC   _HA2    21     1.09735   109.40849    -1.74910
   22    20 S   C    _C2_    22     1.53445   108.59639  -117.35209
   23    22 S   O    _O2_    23     1.23051   122.33555  -148.01397
   24    20 S   CT   _CB2    32     1.53565   111.32582   120.21564
   25    24 S   HC   HB21    33     1.09230   108.83931    57.50380
   26    24 S   HC   HB22    34     1.09423   110.05909   176.19440
   27    22 S   N    _N3_    24     1.38356   113.60870    39.47925
   28    27 S   H    _HN3    25     1.01615   119.50795    -3.57572
   29    24 S   S    _SG2    35     1.82849   110.59685   -64.23311
   30    27 S   CT   _CA3    26     1.45283   123.14274   176.99899
   31    30 S   HC   HA31    27     1.09552   107.53138   -63.77249
   32    30 S   HC   HA32    28     1.09560   107.93912    52.63122
   33    29 S   CT   _C9_    36     1.91421   103.21471   165.29315
   34    30 S   CO3  _C3_    29     1.52938   114.14726   174.62400
   35    34 S   O2Z  _O31    30     1.26366   116.07416    -0.37009
   36    34 S   O2Z  _O32    31     1.26432   114.40696   179.68784
   37    33 S   CT   _C10    37     1.56302   105.10604    61.62744
   38    37 S   HC   _H12    38     1.09957   110.57804    48.26036
   39    37 S   HC   _H13    39     1.09845   110.22083   -66.18618
   40    33 S   CT   _C8_    61     1.58528   110.31538   -56.20022
   41    40 S   HC   _H4_    62     1.09930   105.40944    71.24013
   42    33 S   CT   _C20    75     1.59158   105.43275  -177.79282
   43    42 S   OM   _O38    76     1.32816   111.26788   -66.96253
   44    42 S   HC   _H21    77     1.09469   106.47464   166.30599
   45    42 S   HC   _H22    78     1.09983   105.31905    60.37943
   46    37 S   CT   _C11    40     1.52427   116.41997   171.10026
   47    46 S   HC   _H5_    41     1.09755   109.97031   -60.62585
   48    46 S   CT   _C12    42     1.52078   114.36251    66.64423
   49    48 S   HC   _H6_    43     1.09825   111.06399    42.53815
   50    48 S   CM   _C17    44     1.49496    98.51364   154.28897
   51    48 S   CT   _C13    51     1.52669   111.46156   -81.51648
   52    51 S   HC   _H14    52     1.09786   108.93577  -153.92475
   53    51 S   HC   _H15    53     1.09599   109.37934   -39.32042
   54    50 S   CO4  _C19    45     1.48081   107.80354   -28.46068
   55    54 S   O    _O36    46     1.21721   127.25475  -166.77789
   56    50 S   CM   _C18    48     1.33569   130.95852   150.55933
   57    56 S   HC   _H19    49     1.08390   121.56520     1.07210
   58    56 S   HC   _H20    50     1.08551   121.49790  -179.37193
   59    51 S   CT   _C14    54     1.53955   113.50528    85.97834
   60    46 S   OS   _O37    47     1.44241   108.89564  -176.55235
   61    59 S   CM   _C15    55     1.51593   115.87162  -163.73689
   62    59 S   OH   _O35    73     1.44878   105.82399    79.48914
   63    62 S   HO   _H18    74     0.97285   107.90149    65.46952
   64    61 S   CT   _C6_    56     1.50559   109.90362   160.30111
   65    64 S   HC   _H3_    57     1.09742   109.84535   110.54011
   66    61 S   CM   _C16    70     1.34130   126.92395   -17.50705
   67    66 S   HC   _H16    71     1.08382   122.09455    -1.63087
   68    66 S   HC   _H17    72     1.08540   120.86978   178.79472
   69    64 S   CT   _C7_    58     1.53050   104.62839    -8.40153
   70    69 S   HC   _H10    59     1.09913   108.23672   102.12099
   71    69 S   HC   _H11    60     1.09047   111.96382  -141.27056
   72    64 S   OS   _O34    63     1.43530   110.21633  -127.88177
   73    72 S   CO4  _C5_    64     1.36342   116.36223  -165.97993
   74    73 S   O    _O33    65     1.22317   126.21374     1.25148
   75    73 S   CT   _C4_    66     1.49781   109.59059  -178.13670
   76    75 S   HC   _H7_    67     1.09297   109.88331   -57.59240
   77    75 S   HC   _H8_    68     1.09366   109.36447  -176.46526
   78    75 S   HC   _H9_    69     1.09283   109.74328    64.29991
  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
  21   2   1   1  18   7   6  21   9   6   2   1   1  12   6  14
   8  10  12   4   3   5   2   3   1   1  12   1  12   4   1  11
   6   4   1   1   4   2   1   6   5   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    59    69    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    60    51    59    61    64    69    70    71    40    41    62    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    50    54    60    51    59    69    40    41    42    43    44    45  
   39    46    47    48    60    40    42  
   46    47    48    60    40    42  
   41    72    66    62    63    42    43    44    45    46    48    51    52    53    59    61    64    65    69    70    71  
   62    42    51    59    61    64    69    70    71  
   43    44    45    46    59    69  
   44    45  
   45  
    0  
   47    48    49    50    54    55    60    56    51    52    53    59  
   48    49    50    54    60    51  
   49    50    54    55    60    56    57    58    51    52    53    59    61    62  
   50    54    60    56    51    52    53    59  
   54    55    60    56    57    58    51    52    53    59  
   52    53    59    61    64    69    66    62    63    54    56    60  
   53    59    61    62  
   59    61    62  
   55    60    56    57    58  
   60    56  
   57    58    60  
   58  
    0  
   61    64    65    69    70    71    72    66    67    68    62    63  
    0  
   64    65    69    70    71    72    73    66    67    68    62    63  
   63    64    66    69  
    0  
   65    69    70    71    72    73    74    75    66    67    68  
   69    70    71    72    73    66  
   67    68    69    72  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    60   320.000  1.410
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    51   268.000  1.529
   50    54   320.000  1.462
   50    56   549.000  1.340
   54    55   570.000  1.229
   54    60   214.000  1.327
   56    57   340.000  1.080
   56    58   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   268.000  1.529
   59    61   317.000  1.510
   59    40   268.000  1.529
   59    62   320.000  1.410
   61    64   317.000  1.510
   61    66   549.000  1.340
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    40   268.000  1.529
   40    41   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   553.000  0.945
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    45   340.000  1.090
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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    59    58.35000  112.70000
   33    40    69    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    58.35000  112.70000
   37    46    60    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    70.00000  112.02700
   46    48    51    58.35000  112.70000
   46    60    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    50    54    65.00000  116.34900
   48    50    56    70.00000  124.00000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    59    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    54    55    80.00000  123.72100
   50    54    60    90.00000  111.29400
   50    56    57    35.00000  120.00000
   50    56    58    35.00000  120.00000
   60    46    47    35.00000  109.50000
   60    46    48    50.00000  109.50000
   60    54    55    83.00000  123.40000
   56    50    54    65.00000  118.96000
   58    56    57    35.00000  117.00000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.02700
   51    59    61    70.00000  112.02700
   51    59    40    58.35000  112.70000
   51    59    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    53    37.50000  110.70000
   59    61    64    65.00000  117.92700
   59    61    66    70.00000  124.00000
   59    40    69    58.35000  112.70000
   59    40    41    37.50000  110.70000
   59    62    63    55.00000  108.50000
   61    64    65    35.00000  109.50000
   61    64    69    70.00000  112.02700
   61    64    72    85.00000  110.90400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    40    58.35000  112.70000
   64    72    73    83.00000  116.90000
   69    64    65    37.50000  110.70000
   69    40    41    37.50000  110.70000
   71    69    70    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    59    61    70.00000  112.02700
   40    69    70    37.50000  110.70000
   40    69    71    37.50000  110.70000
   72    64    65    35.00000  109.50000
   72    64    69    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    61    64    70.00000  124.00000
   68    66    67    35.00000  117.00000
   62    59    61    90.00000  110.39200
   62    59    40    50.00000  109.50000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    45.00000  125.66300
   45    42    43    45.00000  125.66300
   45    42    44    33.00000  107.80000
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    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    59   0.44750  1.0 1.0
   29    33    40    59  -0.17800 -1.0 2.0
   29    33    40    59   0.20200  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.56750  1.0 1.0
   33    37    46    48  -0.07550 -1.0 2.0
   33    37    46    48   0.20000  1.0 3.0
   33    37    46    60   0.62750  1.0 1.0
   33    37    46    60  -0.30950 -1.0 2.0
   33    37    46    60   0.27300  1.0 3.0
   37    33    40    59   0.56750  1.0 1.0
   37    33    40    59  -0.07550 -1.0 2.0
   37    33    40    59   0.20000  1.0 3.0
   37    33    40    69   0.56750  1.0 1.0
   37    33    40    69  -0.07550 -1.0 2.0
   37    33    40    69   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.62750  1.0 1.0
   37    33    42    43  -0.30950 -1.0 2.0
   37    33    42    43   0.27300  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    48    49   0.15000  1.0 3.0
   37    46    48    50   0.34400  1.0 1.0
   37    46    48    50   0.09450 -1.0 2.0
   37    46    48    50   0.11100  1.0 3.0
   37    46    48    51   0.56750  1.0 1.0
   37    46    48    51  -0.07550 -1.0 2.0
   37    46    48    51   0.20000  1.0 3.0
   37    46    60    54  -0.25900  1.0 1.0
   37    46    60    54  -0.47000 -1.0 2.0
   37    46    60    54   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    60   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    60   0.23400  1.0 3.0
   46    48   -50    54   0.09700  1.0 1.0
   46    48   -50    54   0.15600 -1.0 2.0
   46    48   -50    54  -0.50800  1.0 3.0
   46    48    50    56   0.09850  1.0 1.0
   46    48    50    56   0.15250 -1.0 2.0
   46    48    50    56  -0.50650  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48    51    59   0.56750  1.0 1.0
   46    48    51    59  -0.07550 -1.0 2.0
   46    48    51    59   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    60    54   0.08050  1.0 3.0
   48    46   -60    54  -0.25900  1.0 1.0
   48    46   -60    54  -0.47000 -1.0 2.0
   48    46   -60    54   0.11750  1.0 3.0
   48    50    54    55  -0.64400  1.0 1.0
   48    50    54    55   0.26850 -1.0 2.0
   48    50   -54    60  -0.15000  1.0 1.0
   48    50   -54    60   0.89550 -1.0 2.0
   48    50   -54    60  -0.06900  1.0 3.0
   48    50    56    57   7.00000 -1.0 2.0
   48    50    56    58   7.00000 -1.0 2.0
   48    51    59    61   0.34400  1.0 1.0
   48    51    59    61   0.09450 -1.0 2.0
   48    51    59    61   0.11100  1.0 3.0
   48    51    59    40   0.56750  1.0 1.0
   48    51    59    40  -0.07550 -1.0 2.0
   48    51    59    40   0.20000  1.0 3.0
   48    51    59    62   0.86500  1.0 1.0
   48    51    59    62  -0.17500 -1.0 2.0
   48    51    59    62   0.20800  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    50    56   0.00000  1.0 1.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    59   0.34400  1.0 1.0
   50    48    51    59   0.09450 -1.0 2.0
   50    48    51    59   0.11100  1.0 3.0
   50    54   -60    46   2.00000 -1.0 2.0
   54    50    56    57   7.00000 -1.0 2.0
   54    50    56    58   7.00000 -1.0 2.0
   55    54    60    46   3.00000 -1.0 2.0
   60    46    48    49   0.23400  1.0 3.0
   60    46   -48    50   0.61850  1.0 1.0
   60    46   -48    50  -0.22750 -1.0 2.0
   60    46   -48    50   0.15300  1.0 3.0
   60    46    48    51   0.62750  1.0 1.0
   60    46    48    51  -0.30950 -1.0 2.0
   60    46    48    51   0.27300  1.0 3.0
   56    50    54    55   1.00000 -1.0 2.0
   56    50    54    60  -0.56150  1.0 1.0
   56    50    54    60   2.19150 -1.0 2.0
   51    48    50    54   0.09700  1.0 1.0
   51    48    50    54   0.15600 -1.0 2.0
   51    48    50    54  -0.50800  1.0 3.0
   51    48    50    56   0.09850  1.0 1.0
   51    48    50    56   0.15250 -1.0 2.0
   51    48    50    56  -0.50650  1.0 3.0
   51    59    61    64   0.46850  1.0 1.0
   51    59    61    64   0.08550 -1.0 2.0
   51    59    61    64   0.09800  1.0 3.0
   51    59    61    66   0.09850  1.0 1.0
   51    59    61    66   0.15250 -1.0 2.0
   51    59    61    66  -0.50650  1.0 3.0
   51    59    40    33   0.56750  1.0 1.0
   51    59    40    33  -0.07550 -1.0 2.0
   51    59    40    33   0.20000  1.0 3.0
   51    59    40    69   0.56750  1.0 1.0
   51    59    40    69  -0.07550 -1.0 2.0
   51    59    40    69   0.20000  1.0 3.0
   51    59    40    41   0.15000  1.0 3.0
   51    59    62    63  -0.11600  1.0 1.0
   51    59    62    63  -0.09450 -1.0 2.0
   51    59    62    63   0.21250  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    40   0.15000  1.0 3.0
   52    51    59    62   0.23400  1.0 3.0
   53    51    59    61   0.15000  1.0 3.0
   53    51    59    40   0.15000  1.0 3.0
   53    51    59    62   0.23400  1.0 3.0
   59    61    64    65   0.34800  1.0 3.0
   59    61   -64    69   0.46850  1.0 1.0
   59    61   -64    69   0.08550 -1.0 2.0
   59    61   -64    69   0.09800  1.0 3.0
   59    61    64    72   0.09700  1.0 1.0
   59    61    64    72   0.15600 -1.0 2.0
   59    61    64    72  -0.50800  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   61    59    40    33   0.34400  1.0 1.0
   61    59    40    33   0.09450 -1.0 2.0
   61    59    40    33   0.11100  1.0 3.0
   61    59   -40    69   0.34400  1.0 1.0
   61    59   -40    69   0.09450 -1.0 2.0
   61    59   -40    69   0.11100  1.0 3.0
   61    59    40    41   0.15000  1.0 3.0
   61    59    62    63  -0.07800  1.0 1.0
   61    59    62    63  -0.21500 -1.0 2.0
   61    59    62    63  -0.03150  1.0 3.0
   61    64    69    70   0.15000  1.0 3.0
   61    64    69    71   0.15000  1.0 3.0
   61    64   -69    40   0.34400  1.0 1.0
   61    64   -69    40   0.09450 -1.0 2.0
   61    64   -69    40   0.11100  1.0 3.0
   61    64    72    73  -0.82050  1.0 1.0
   61    64    72    73   0.00600 -1.0 2.0
   61    64    72    73   0.04400  1.0 3.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   64    69    40    33   0.56750  1.0 1.0
   64    69    40    33  -0.07550 -1.0 2.0
   64    69    40    33   0.20000  1.0 3.0
   64    69   -40    59   0.56750  1.0 1.0
   64    69   -40    59  -0.07550 -1.0 2.0
   64    69   -40    59   0.20000  1.0 3.0
   64    69    40    41   0.15000  1.0 3.0
   64    72    73    74   3.00000 -1.0 2.0
   64    72    73    75   1.63150  1.0 1.0
   64    72    73    75   2.92000 -1.0 2.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    40   0.15000  1.0 3.0
   65    64    72    73   0.08050  1.0 3.0
   69    64    72    73  -0.25900  1.0 1.0
   69    64    72    73  -0.47000 -1.0 2.0
   69    64    72    73   0.11750  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    59   0.15000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   71    69    40    33   0.15000  1.0 3.0
   71    69    40    59   0.15000  1.0 3.0
   71    69    40    41   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.62750  1.0 1.0
   40    33    42    43  -0.30950 -1.0 2.0
   40    33    42    43   0.27300  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    59   -61    64   0.46850  1.0 1.0
   40    59   -61    64   0.08550 -1.0 2.0
   40    59   -61    64   0.09800  1.0 3.0
   40    59    61    66   0.09850  1.0 1.0
   40    59    61    66   0.15250 -1.0 2.0
   40    59    61    66  -0.50650  1.0 3.0
   40    59    62    63  -0.11600  1.0 1.0
   40    59    62    63  -0.09450 -1.0 2.0
   40    59    62    63   0.21250  1.0 3.0
   72    64    69    70   0.23400  1.0 3.0
   72    64    69    71   0.23400  1.0 3.0
   72    64    69    40   0.62750  1.0 1.0
   72    64    69    40  -0.30950 -1.0 2.0
   72    64    69    40   0.27300  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   66    61    64    65   0.00000  1.0 1.0
   66    61    64    69   0.09850  1.0 1.0
   66    61    64    69   0.15250 -1.0 2.0
   66    61    64    69  -0.50650  1.0 3.0
   66    61    64    72   0.39000  1.0 1.0
   66    61    64    72  -0.05800 -1.0 2.0
   66    61    64    72  -0.55150  1.0 3.0
   62    59    61    64   0.18000  1.0 1.0
   62    59    61    64   0.16450 -1.0 2.0
   62    59    61    64   0.04450  1.0 3.0
   62    59    61    66   0.67800  1.0 1.0
   62    59    61    66   0.47050 -1.0 2.0
   62    59    61    66  -0.62500  1.0 3.0
   62    59    40    33   0.86500  1.0 1.0
   62    59    40    33  -0.17500 -1.0 2.0
   62    59    40    33   0.20800  1.0 3.0
   62    59    40    69   0.86500  1.0 1.0
   62    59    40    69  -0.17500 -1.0 2.0
   62    59    40    69   0.20800  1.0 3.0
   62    59    40    41   0.23400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    59   0.56750  1.0 1.0
   42    33    40    59  -0.07550 -1.0 2.0
   42    33    40    59   0.20000  1.0 3.0
   42    33    40    69   0.56750  1.0 1.0
   42    33    40    69  -0.07550 -1.0 2.0
   42    33    40    69   0.20000  1.0 3.0
   42    33    40    41   0.15000  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
   48    54    50    56   1.10000 -1.0 2.0
   50    60    54    55  10.50000 -1.0 2.0
   57    58    56    50   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
END
