* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    237     442
    1     0 S   NP   _N1_     1    29.21315    92.36283   -24.35220
    2     1 S   H    _HN1     2     1.02802   100.02954  -129.11322
    3     1 S   H    _H1_     3     1.02916    96.94544   -18.96355
    4     1 S   H    _H2_     4     1.02834    16.34138   110.62049
    5     1 S   CT   _CA1     5     1.50107   126.93494   103.12766
    6     5 S   HC   _HA1     6     1.09553   105.21998    61.55154
    7     5 S   CO3  _C1_     7     1.53869   112.49304   -58.93727
    8     7 S   O2Z  _O11     8     1.26400   114.99053   -39.83266
    9     7 S   O2Z  _O12     9     1.26221   114.96990   139.26505
   10     5 S   CT   _CB1    10     1.53035   107.45297   179.88465
   11    10 S   HC   HB11    11     1.09833   109.80995   -45.90186
   12    10 S   HC   HB12    12     1.09761   110.14963    70.71765
   13    10 S   CT   _CG1    13     1.53025   112.53777  -166.67874
   14    13 S   HC   HG11    14     1.09498   110.74904   -61.59581
   15    13 S   HC   HG12    15     1.09637   109.72550    57.65536
   16    13 S   C    _CD1    16     1.51684   111.96769   178.64824
   17    16 S   O    _OE1    17     1.22748   123.02855    13.83580
   18    16 S   N    _N2_    18     1.38677   112.11750  -166.96643
   19    18 S   H    _HN2    19     1.01555   119.16398     4.36332
   20    18 S   CT1  _CA2    20     1.46187   123.18278  -177.88289
   21    20 S   HC   _HA2    21     1.09593   108.59356    15.68243
   22    20 S   C    _C2_    22     1.53802   110.48044   -99.97969
   23    22 S   O    _O2_    23     1.23156   121.76678  -154.74846
   24    20 S   CT   _CB2    32     1.53748   111.90569   137.44297
   25    24 S   HC   HB21    33     1.09670   109.35898    70.22377
   26    24 S   HC   HB22    34     1.09581   110.83001  -172.70814
   27    22 S   N    _N3_    24     1.38137   114.48914    32.32514
   28    27 S   H    _HN3    25     1.01481   119.76289    -2.81953
   29    24 S   S    _SG2    35     1.82650   114.98999   -48.95757
   30    27 S   CT   _CA3    26     1.45301   123.31331   177.31613
   31    30 S   HC   HA31    27     1.09547   107.49540   -65.35334
   32    30 S   HC   HA32    28     1.09555   108.02865    51.12481
   33    29 S   CT   _C21    36     1.82449   100.41078   -69.87401
   34    33 S   HC   _H3_    37     1.09460   108.02795   -81.30259
   35    33 S   HC   _H4_    38     1.08884   110.01811    33.76471
   36    30 S   CO3  _C3_    29     1.52991   114.02095   173.14528
   37    36 S   O2Z  _O31    30     1.26390   116.07213    -0.24228
   38    36 S   O2Z  _O32    31     1.26429   114.41681   179.83687
   39    33 S   CM   _C4_    39     1.52881   110.00968   155.64657
   40    39 S   CMA  _C5_    40     1.36984   121.83658    96.02737
   41    40 S   OM   _O20    41     1.26811   124.27312     0.94004
   42    40 S   OS   _O23    42     1.40240   117.89865  -177.49868
   43    42 S   CT   _C15    43     1.42403   121.47260   -10.97682
   44    43 S   HC   _H37    44     1.09506   107.82362   -83.65991
   45    43 S   HC   _H38    45     1.09739   106.81693   163.49716
   46    43 S   CT   _C20    46     1.53769   112.81828    41.48692
   47    46 S   CT   _C14    47     1.55469   109.89031   179.82754
   48    47 S   HC   _H35    48     1.09880   110.14663   -52.37021
   49    47 S   HC   _H36    49     1.10068   109.13865  -166.60880
   50    39 S   CT   _C16    60     1.53295   114.51286   -83.39034
   51    50 S   HC   _H39    61     1.09603   108.67201    36.20149
   52    46 S   CM   _C11    77     1.53366   107.79147    65.46882
   53    52 S   HC   _H34    78     1.09007   115.71086    39.45442
   54    47 S   CT   _C19    50     1.53890   115.75718    71.81266
   55    54 S   HC   _H42    51     1.09691   111.63080   -69.89965
   56    52 S   CM   _C9_    79     1.33847   128.01921  -142.59030
   57    56 S   HC   _H30    80     1.08511   120.07750  -179.11884
   58    56 S   HC   _H31    81     1.08131   122.78032    -0.33630
   59    54 S   CT   _C17    52     1.51989   108.01592    52.05136
   60    59 S   HC   _H40    53     1.09995   108.93161    61.20745
   61    54 S   OS   _O26    65     1.44438   108.20638   168.84154
   62    59 S   CM   _C6_    54     1.48730   122.20010  -174.84163
   63    61 S   CO4  _C13    66     1.35907   117.44979    83.11689
   64    63 S   O    _O22    67     1.22277   125.88069     1.73122
   65    62 S   CO4  _C7_    55     1.48628   106.01748   154.26323
   66    65 S   O    _O21    56     1.21682   127.30912   164.68720
   67    62 S   CM   _C8_    62     1.33392   131.49030   -23.18526
   68    67 S   HC   _H28    63     1.08384   121.34532    -1.27962
   69    67 S   HC   _H29    64     1.08522   121.44449   178.59486
   70    63 S   CM   _C12    68     1.48948   109.68706  -177.70817
   71    65 S   OS   _O24    57     1.37156   106.38246   -14.06507
   72    70 S   CM   _C10    69     1.34215   116.99688   168.69800
   73    72 S   HC   _H32    70     1.08555   120.96956  -179.46845
   74    72 S   HC   _H33    71     1.08538   122.50503     0.57335
   75    70 S   CT   _C22    72     1.49871   120.69025    -9.99241
   76    75 S   HC   _H45    73     1.09544   111.56916   172.23044
   77    75 S   HC   _H46    74     1.09459   111.21169    52.08047
   78    59 S   CT   _C18    58     1.51596   110.56569   -60.58535
   79    78 S   HC   _H41    59     1.09992   111.66430   -57.35744
   80    75 S   OH   _O25    75     1.42134   109.33035   -68.44070
   81    80 S   HO   _H47    76     0.97216   107.09964   178.78711
  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   6   5   4   3
  10   4   3   2   1   1  13   9   3   7  13   5   4  17  15   7
   6  12   5   6   3  13   6   2   1   1  12   7   7   8   9   3
   7   3   4   1   1   8   2   6   2   1   4   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    78    50    51  
   35    39    40    50  
   39    40    50  
   37    38  
   38  
    0  
   40    41    42    43    46    47    59    71    78    79    50    51    52  
   41    42    43    44    45    46    78    50    51  
   42    43    50  
   43    44    45    46    47    50    52  
   44    45    46    47    48    49    54    78    50    51    52    53    56  
   45    46    47    50    52  
   46    47    50    52  
   47    48    49    54    55    59    71    78    79    50    51    61    52    53    56    57    58  
   48    49    54    55    59    60    62    78    50    51    61    63    52    53    56  
   49    54    55    59    50    61    52  
   54    55    59    50    61    52  
   51    52    53    56    54    59    60    62    65    71    78    79  
   52    59    71    78    79  
   53    56    57    58    54    78  
   56    57    58  
   55    59    60    62    65    71    78    79    67    61    63    64    70  
   59    60    62    78    61    63  
   57    58  
   58  
    0  
   60    62    65    66    71    78    79    67    68    69    61    63  
   62    65    71    78    79    67    61  
   63    64    70    72    75    62    78  
   65    66    71    78    79    67    68    69  
   64    70    72    73    74    75    76    77    80  
   70    72    75  
   66    71    78    79    67    68    69  
   71    78    67  
   68    69    71    78  
   69  
    0  
   72    73    74    75    76    77    80    81  
   78    79  
   73    74    75    76    77    80  
   74    75  
   75  
   76    77    80    81  
   77    80    81  
   80    81  
   79  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    50   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    50   268.000  1.529
   46    52   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    61   320.000  1.410
   59    60   340.000  1.090
   59    62   317.000  1.510
   59    78   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    71   214.000  1.327
   71    78   320.000  1.410
   78    79   340.000  1.090
   78    50   268.000  1.529
   50    51   340.000  1.090
   67    68   340.000  1.080
   67    69   340.000  1.080
   61    63   214.000  1.327
   63    64   570.000  1.229
   63    70   320.000  1.462
   70    72   549.000  1.340
   70    75   317.000  1.510
   72    73   340.000  1.080
   72    74   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   320.000  1.410
   80    81   553.000  0.945
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    58   340.000  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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    50    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    50    46    70.00000  112.02700
   39    50    78    70.00000  112.02700
   39    50    51    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    58.35000  112.70000
   43    46    50    58.35000  112.70000
   43    46    52    70.00000  112.02700
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    54    58.35000  112.70000
   46    50    78    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    52    53    35.00000  117.00000
   46    52    56    70.00000  124.00000
   47    54    55    37.50000  110.70000
   47    54    59    58.35000  112.70000
   47    54    61    50.00000  109.50000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    62    70.00000  112.02700
   54    59    78    58.35000  112.70000
   54    61    63    83.00000  116.90000
   59    54    55    37.50000  110.70000
   59    62    65    65.00000  116.34900
   59    62    67    70.00000  124.00000
   59    78    71    50.00000  109.50000
   59    78    79    37.50000  110.70000
   59    78    50    58.35000  112.70000
   62    59    60    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    71    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   65    71    78    83.00000  116.90000
   71    65    66    83.00000  123.40000
   71    78    79    35.00000  109.50000
   71    78    50    50.00000  109.50000
   78    59    60    37.50000  110.70000
   78    59    62    70.00000  112.02700
   78    50    51    37.50000  110.70000
   50    39    40    70.00000  124.00000
   50    46    47    58.35000  112.70000
   50    78    79    37.50000  110.70000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   61    54    55    35.00000  109.50000
   61    54    59    50.00000  109.50000
   61    63    64    83.00000  123.40000
   61    63    70    90.00000  111.29400
   63    70    72    65.00000  118.96000
   63    70    75    65.00000  116.34900
   70    63    64    80.00000  123.72100
   70    72    73    35.00000  120.00000
   70    72    74    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    80    90.00000  110.39200
   74    72    73    35.00000  117.00000
   75    70    72    70.00000  124.00000
   75    80    81    55.00000  108.50000
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   52    46    47    70.00000  112.02700
   52    46    50    70.00000  112.02700
   52    56    57    35.00000  120.00000
   52    56    58    35.00000  120.00000
   56    52    53    35.00000  120.00000
   58    56    57    35.00000  117.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    50   0.30250  1.0 1.0
   29    33    39    50  -0.14950 -1.0 2.0
   29    33    39    50   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    50    46   0.46850  1.0 1.0
   33    39    50    46   0.08550 -1.0 2.0
   33    39    50    46   0.09800  1.0 3.0
   33    39    50    78   0.46850  1.0 1.0
   33    39    50    78   0.08550 -1.0 2.0
   33    39    50    78   0.09800  1.0 3.0
   33    39    50    51   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    50   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    50   0.34800  1.0 3.0
   39    40    42    43  -2.26850  1.0 1.0
   39    40    42    43   3.39050 -1.0 2.0
   40    39    50    46   0.09850  1.0 1.0
   40    39    50    46   0.15250 -1.0 2.0
   40    39    50    46  -0.50650  1.0 3.0
   40    39    50    78   0.09850  1.0 1.0
   40    39    50    78   0.15250 -1.0 2.0
   40    39    50    78  -0.50650  1.0 3.0
   40    39    50    51   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45   0.08050  1.0 3.0
   40    42   -43    46  -0.46850  1.0 1.0
   40    42   -43    46   0.09300 -1.0 2.0
   40    42   -43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    46    47   0.62750  1.0 1.0
   42    43    46    47  -0.30950 -1.0 2.0
   42    43    46    47   0.27300  1.0 3.0
   42    43    46    50   0.62750  1.0 1.0
   42    43    46    50  -0.30950 -1.0 2.0
   42    43    46    50   0.27300  1.0 3.0
   42    43    46    52   0.61850  1.0 1.0
   42    43    46    52  -0.22750 -1.0 2.0
   42    43    46    52   0.15300  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    49   0.15000  1.0 3.0
   43    46    47    54   0.56750  1.0 1.0
   43    46    47    54  -0.07550 -1.0 2.0
   43    46    47    54   0.20000  1.0 3.0
   43    46   -50    39   0.34400  1.0 1.0
   43    46   -50    39   0.09450 -1.0 2.0
   43    46   -50    39   0.11100  1.0 3.0
   43    46    50    78   0.56750  1.0 1.0
   43    46    50    78  -0.07550 -1.0 2.0
   43    46    50    78   0.20000  1.0 3.0
   43    46    50    51   0.15000  1.0 3.0
   43    46    52    53   0.00000  1.0 1.0
   43    46    52    56   0.09850  1.0 1.0
   43    46    52    56   0.15250 -1.0 2.0
   43    46    52    56  -0.50650  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    50   0.15000  1.0 3.0
   44    43    46    52   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    50   0.15000  1.0 3.0
   45    43    46    52   0.15000  1.0 3.0
   46    47    54    55   0.15000  1.0 3.0
   46    47    54    59   0.56750  1.0 1.0
   46    47    54    59  -0.07550 -1.0 2.0
   46    47    54    59   0.20000  1.0 3.0
   46    47    54    61   0.62750  1.0 1.0
   46    47    54    61  -0.30950 -1.0 2.0
   46    47    54    61   0.27300  1.0 3.0
   46    52    56    57   7.00000 -1.0 2.0
   46    52    56    58   7.00000 -1.0 2.0
   47    46    50    39   0.34400  1.0 1.0
   47    46    50    39   0.09450 -1.0 2.0
   47    46    50    39   0.11100  1.0 3.0
   47    46    50    78   0.56750  1.0 1.0
   47    46    50    78  -0.07550 -1.0 2.0
   47    46    50    78   0.20000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    56   0.09850  1.0 1.0
   47    46    52    56   0.15250 -1.0 2.0
   47    46    52    56  -0.50650  1.0 3.0
   47    54    59    60   0.15000  1.0 3.0
   47    54    59    62   0.34400  1.0 1.0
   47    54    59    62   0.09450 -1.0 2.0
   47    54    59    62   0.11100  1.0 3.0
   47    54   -59    78   0.56750  1.0 1.0
   47    54   -59    78  -0.07550 -1.0 2.0
   47    54   -59    78   0.20000  1.0 3.0
   47    54    61    63  -0.25900  1.0 1.0
   47    54    61    63  -0.47000 -1.0 2.0
   47    54    61    63   0.11750  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    59   0.15000  1.0 3.0
   48    47    54    61   0.23400  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    59   0.15000  1.0 3.0
   49    47    54    61   0.23400  1.0 3.0
   54    59    62    65   0.09700  1.0 1.0
   54    59    62    65   0.15600 -1.0 2.0
   54    59    62    65  -0.50800  1.0 3.0
   54    59    62    67   0.09850  1.0 1.0
   54    59    62    67   0.15250 -1.0 2.0
   54    59    62    67  -0.50650  1.0 3.0
   54    59    78    71   0.62750  1.0 1.0
   54    59    78    71  -0.30950 -1.0 2.0
   54    59    78    71   0.27300  1.0 3.0
   54    59    78    79   0.15000  1.0 3.0
   54    59    78    50   0.56750  1.0 1.0
   54    59    78    50  -0.07550 -1.0 2.0
   54    59    78    50   0.20000  1.0 3.0
   54    61    63    64   3.00000 -1.0 2.0
   54    61    63    70   2.00000 -1.0 2.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   55    54    59    78   0.15000  1.0 3.0
   55    54    61    63   0.08050  1.0 3.0
   59    54    61    63  -0.25900  1.0 1.0
   59    54    61    63  -0.47000 -1.0 2.0
   59    54    61    63   0.11750  1.0 3.0
   59    62    65    66  -0.64400  1.0 1.0
   59    62    65    66   0.26850 -1.0 2.0
   59    62   -65    71  -0.15000  1.0 1.0
   59    62   -65    71   0.89550 -1.0 2.0
   59    62   -65    71  -0.06900  1.0 3.0
   59    62    67    68   7.00000 -1.0 2.0
   59    62    67    69   7.00000 -1.0 2.0
   59    78    50    39   0.34400  1.0 1.0
   59    78    50    39   0.09450 -1.0 2.0
   59    78    50    39   0.11100  1.0 3.0
   59    78   -50    46   0.56750  1.0 1.0
   59    78   -50    46  -0.07550 -1.0 2.0
   59    78   -50    46   0.20000  1.0 3.0
   59    78    50    51   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   60    59    62    67   0.00000  1.0 1.0
   60    59    78    71   0.23400  1.0 3.0
   60    59    78    79   0.15000  1.0 3.0
   60    59    78    50   0.15000  1.0 3.0
   62    59   -78    71   0.61850  1.0 1.0
   62    59   -78    71  -0.22750 -1.0 2.0
   62    59   -78    71   0.15300  1.0 3.0
   62    59    78    79   0.15000  1.0 3.0
   62    59    78    50   0.34400  1.0 1.0
   62    59    78    50   0.09450 -1.0 2.0
   62    59    78    50   0.11100  1.0 3.0
   62    65   -71    78   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   65    71   -78    59  -0.25900  1.0 1.0
   65    71   -78    59  -0.47000 -1.0 2.0
   65    71   -78    59   0.11750  1.0 3.0
   65    71    78    79   0.08050  1.0 3.0
   65    71    78    50  -0.25900  1.0 1.0
   65    71    78    50  -0.47000 -1.0 2.0
   65    71    78    50   0.11750  1.0 3.0
   66    65    71    78   3.00000 -1.0 2.0
   71    78    50    39   0.61850  1.0 1.0
   71    78    50    39  -0.22750 -1.0 2.0
   71    78    50    39   0.15300  1.0 3.0
   71    78    50    46   0.62750  1.0 1.0
   71    78    50    46  -0.30950 -1.0 2.0
   71    78    50    46   0.27300  1.0 3.0
   71    78    50    51   0.23400  1.0 3.0
   78    59   -62    65   0.09700  1.0 1.0
   78    59   -62    65   0.15600 -1.0 2.0
   78    59   -62    65  -0.50800  1.0 3.0
   78    59    62    67   0.09850  1.0 1.0
   78    59    62    67   0.15250 -1.0 2.0
   78    59    62    67  -0.50650  1.0 3.0
   79    78    50    39   0.15000  1.0 3.0
   79    78    50    46   0.15000  1.0 3.0
   79    78    50    51   0.15000  1.0 3.0
   50    39    40    41   7.00000 -1.0 2.0
   50    39   -40    42   7.00000 -1.0 2.0
   50    46    47    48   0.15000  1.0 3.0
   50    46    47    49   0.15000  1.0 3.0
   50    46   -47    54   0.56750  1.0 1.0
   50    46   -47    54  -0.07550 -1.0 2.0
   50    46   -47    54   0.20000  1.0 3.0
   50    46    52    53   0.00000  1.0 1.0
   50    46    52    56   0.09850  1.0 1.0
   50    46    52    56   0.15250 -1.0 2.0
   50    46    52    56  -0.50650  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    71  -0.56150  1.0 1.0
   67    62    65    71   2.19150 -1.0 2.0
   61    54    59    60   0.23400  1.0 3.0
   61    54    59    62   0.61850  1.0 1.0
   61    54    59    62  -0.22750 -1.0 2.0
   61    54    59    62   0.15300  1.0 3.0
   61    54    59    78   0.62750  1.0 1.0
   61    54    59    78  -0.30950 -1.0 2.0
   61    54    59    78   0.27300  1.0 3.0
   61    63    70    72  -0.56150  1.0 1.0
   61    63    70    72   2.19150 -1.0 2.0
   61    63    70    75  -0.15000  1.0 1.0
   61    63    70    75   0.89550 -1.0 2.0
   61    63    70    75  -0.06900  1.0 3.0
   63    70    72    73   7.00000 -1.0 2.0
   63    70    72    74   7.00000 -1.0 2.0
   63    70    75    76   0.15000  1.0 3.0
   63    70    75    77   0.15000  1.0 3.0
   63    70    75    80   0.09700  1.0 1.0
   63    70    75    80   0.15600 -1.0 2.0
   63    70    75    80  -0.50800  1.0 3.0
   64    63    70    72   1.00000 -1.0 2.0
   64    63    70    75  -0.64400  1.0 1.0
   64    63    70    75   0.26850 -1.0 2.0
   70    75    80    81  -0.07800  1.0 1.0
   70    75    80    81  -0.21500 -1.0 2.0
   70    75    80    81  -0.03150  1.0 3.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
   72    70    75    80   0.67800  1.0 1.0
   72    70    75    80   0.47050 -1.0 2.0
   72    70    75    80  -0.62500  1.0 3.0
   75    70    72    73   7.00000 -1.0 2.0
   75    70    72    74   7.00000 -1.0 2.0
   76    75    80    81   0.19450  1.0 3.0
   77    75    80    81   0.19450  1.0 3.0
   52    46    47    48   0.15000  1.0 3.0
   52    46    47    49   0.15000  1.0 3.0
   52    46    47    54   0.34400  1.0 1.0
   52    46    47    54   0.09450 -1.0 2.0
   52    46    47    54   0.11100  1.0 3.0
   52    46    50    39   0.31000  1.0 1.0
   52    46    50    39   0.14700 -1.0 2.0
   52    46    50    39   0.07550  1.0 3.0
   52    46    50    78   0.34400  1.0 1.0
   52    46    50    78   0.09450 -1.0 2.0
   52    46    50    78   0.11100  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    58   7.00000 -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
   38    30    36    37  10.50000 -1.0 2.0
   33    50    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   59    65    62    67   1.10000 -1.0 2.0
   62    71    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   61    70    63    64  10.50000 -1.0 2.0
   63    75    70    72  15.00000 -1.0 2.0
   73    74    72    70  15.00000 -1.0 2.0
   46    53    52    56  15.00000 -1.0 2.0
   57    58    56    52  15.00000 -1.0 2.0
END
