* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    162    252     473
    1     0 S   NP   _N1_     1    28.96933    93.55993   -22.47699
    2     1 S   H    _HN1     2     1.02829    23.07307   167.59678
    3     1 S   H    _H1_     3     1.02774   100.34689   -80.66638
    4     1 S   H    _H2_     4     1.02966    89.62883    27.90737
    5     1 S   CT   _CA1     5     1.50144   132.55472   145.66593
    6     5 S   HC   _HA1     6     1.09580   105.20129    68.14151
    7     5 S   CO3  _C1_     7     1.53779   112.43197   -51.92581
    8     7 S   O2Z  _O11     8     1.26351   115.01519   -42.10196
    9     7 S   O2Z  _O12     9     1.26251   114.91700   136.99203
   10     5 S   CT   _CB1    10     1.53081   107.37224  -174.05453
   11    10 S   HC   HB11    11     1.09821   109.18126   -51.40551
   12    10 S   HC   HB12    12     1.09827   110.43865    65.07064
   13    10 S   CT   _CG1    13     1.53013   112.78447  -172.62057
   14    13 S   HC   HG11    14     1.09597   110.30857   -64.80646
   15    13 S   HC   HG12    15     1.09643   110.11992    54.43866
   16    13 S   C    _CD1    16     1.51796   112.25713   174.57447
   17    16 S   O    _OE1    17     1.22736   123.22609    -7.63607
   18    16 S   N    _N2_    18     1.38671   111.73519   173.06531
   19    18 S   H    _HN2    19     1.01584   119.09671     1.36731
   20    18 S   CT1  _CA2    20     1.46064   123.23729  -179.27964
   21    20 S   HC   _HA2    21     1.09587   109.27756    -6.88367
   22    20 S   C    _C2_    22     1.53448   108.95642  -122.13112
   23    22 S   O    _O2_    23     1.23044   122.04024  -148.25966
   24    20 S   CT   _CB2    32     1.53399   111.71454   115.35546
   25    24 S   HC   HB21    33     1.09655   109.62164    62.78501
   26    24 S   HC   HB22    34     1.09562   110.85128  -179.93744
   27    22 S   N    _N3_    24     1.38451   113.56775    39.32162
   28    27 S   H    _HN3    25     1.01510   118.95004    -0.82472
   29    24 S   S    _SG2    35     1.82808   114.77683   -57.06115
   30    27 S   CT   _CA3    26     1.45442   123.44647   174.80721
   31    30 S   HC   HA31    27     1.09523   109.25162    24.57085
   32    30 S   HC   HA32    28     1.09495   107.13711   141.58921
   33    29 S   CT   _C22    36     1.82637    99.90388   -65.90451
   34    33 S   HC   _H3_    37     1.09203   107.63696   -52.74882
   35    33 S   HC   _H4_    38     1.09389   109.05670    63.91136
   36    30 S   CO3  _C3_    29     1.52922   113.03503   -98.89763
   37    36 S   O2Z  _O31    30     1.26408   115.37479   -45.39449
   38    36 S   O2Z  _O32    31     1.26349   115.00294   135.50163
   39    33 S   CT   _C15    39     1.53335   110.59873  -174.72058
   40    39 S   HC   _H40    40     1.09658   113.06703    34.35747
   41    39 S   CO4  _C6_    41     1.51364   110.80593   -86.40847
   42    41 S   O    _O20    42     1.22142   126.21287    44.32933
   43    41 S   OS   _O22    43     1.36285   110.11330  -136.48042
   44    43 S   CT   _C14    44     1.43307   109.83859    -5.19810
   45    44 S   HC   _H39    45     1.09486   106.40062   -93.71857
   46    44 S   CM   _C4_    46     1.49594   107.72281   145.49560
   47    46 S   HC   _H28    47     1.08965   114.82748   -53.74138
   48    39 S   CT   _C16    63     1.54112   112.45110   159.64902
   49    48 S   HC   _H41    64     1.10000   107.60514    33.00278
   50    46 S   CM   _C5_    48     1.34779   126.51011   132.85142
   51    50 S   CT   _C10    49     1.51375   118.96211   165.90941
   52    51 S   HC   _H31    50     1.09788   110.27703    19.68785
   53    51 S   HC   _H32    51     1.09604   110.56156   136.59335
   54    50 S   CT   _C11    79     1.50766   124.19223    -3.21144
   55    54 S   HC   _H33    80     1.09614   112.22855   178.43115
   56    54 S   HC   _H34    81     1.09595   108.91537   -64.26213
   57    51 S   CT   _C12    52     1.53886   110.85732  -100.58545
   58    57 S   HC   _H35    53     1.09641   109.05032   162.75836
   59    57 S   HC   _H36    54     1.09543   109.84619   -81.68632
   60    57 S   C3T  _C17    55     1.50082   111.37197    42.24712
   61    60 S   HC   _H42    56     1.08283   112.69373    70.59646
   62    60 S   C3T  _C20    57     1.53689   121.58082   -80.39198
   63    62 S   CT   _C13    58     1.51443   117.81230   156.44062
   64    63 S   HC   _H37    59     1.09960   106.78630   121.11840
   65    63 S   HC   _H38    60     1.09837   110.30678     8.56747
   66    62 S   CO   _C19    76     1.51908   121.92960    -9.17160
   67    66 S   HC   _H44    77     1.09569   111.80498   -32.13616
   68    60 S   O3T  _O24    84     1.42090   116.63837  -148.36515
   69    63 S   CT   _C18    61     1.54603   117.95384  -117.02256
   70    69 S   HC   _H43    62     1.09257   110.30090   -44.65393
   71    66 S   OS   _O23    78     1.42774   111.16533    90.89184
   72    66 S   OH   _O25    82     1.42818   108.47243  -148.91218
   73    72 S   HO   _H50    83     0.97177   106.78302   156.84416
   74    69 S   OS   _O26    65     1.45757   103.64160  -160.99176
   75    74 S   CO4  _C9_    66     1.35958   118.80546   125.39287
   76    75 S   O    _O21    67     1.22199   126.35361     2.31993
   77    75 S   CM   _C8_    68     1.48890   109.26549  -178.19691
   78    77 S   CM   _C7_    69     1.34119   117.30842  -165.04973
   79    78 S   HC   _H29    70     1.08547   120.95819  -179.52071
   80    78 S   HC   _H30    71     1.08540   122.40753     0.78907
   81    77 S   CT   _C21    72     1.49730   120.05162    16.01916
   82    81 S   HC   _H45    73     1.09420   110.81879   -65.85563
   83    81 S   HC   _H46    74     1.09504   110.49247    54.64594
   84    81 S   HC   _H47    75     1.09535   111.83911   174.23585
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  13   6   5   8   3   2   8   5   4  11   4  12  11   6
   5   6   4   3   5   2   2   1   1   5   9   3   7   6   2   1
   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    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    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    69    70    48    49    74  
   41    42    43    44    69    48    49  
   42    43    44    45    46    69    48    49  
   43    44    48  
   44    45    46    47    50    69    48    49  
   45    46    47    50    51    63    69    70    48    49    74    54  
   46    47    50    69    48    49  
   47    50    51    52    53    57    69    48    49    71    54    55    56  
   50    51    48    54  
   49    74    75    50    62    63    64    65    69    70  
   74    63    69    70  
   51    52    53    57    58    59    60    66    71    54    55    56  
   52    53    57    58    59    60    61    62    71    54    55    56    68  
   53    57    58    59    60    54  
   57    58    59    60    54  
   55    56    72    57    62    66    67    71  
   56    66    71  
   66    71  
   58    59    60    61    62    63    66    68  
   59    60    61    62    68  
   60    61    62    68  
   61    62    63    64    65    69    66    67    71    72    68  
   62    63    66    68  
   63    64    65    69    70    74    66    67    71    72    73    68  
   64    65    69    70    74    75    66    67    71    72    68  
   65    69    70    74    66    68  
   69    70    74    66    68  
   67    71    72    73    68    69  
   71    72    73    68  
   69    71    72  
   70    74    75    76    77  
   74    75  
   72    73  
   73  
    0  
   75    76    77    78    81  
   76    77    78    79    80    81    82    83    84  
   77    78    81  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   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  -0.069000   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   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   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    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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   275.000  1.510
   60    61   340.000  1.088
   60    62   260.000  1.509
   60    68   335.000  1.432
   62    63   275.000  1.510
   62    66   275.000  1.510
   62    68   335.000  1.432
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    48   268.000  1.529
   69    74   320.000  1.410
   48    49   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    81   317.000  1.510
   78    79   340.000  1.080
   78    80   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   340.000  1.090
   66    71   320.000  1.380
   66    72   380.000  1.407
   71    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   72    73   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    69    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    69    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    54    71    85.00000  110.90400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    70.00000  112.37300
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    60    61    40.00000  115.04500
   57    60    62    60.00000  120.94000
   57    60    68    80.00000  116.47100
   59    57    58    33.00000  107.80000
   60    57    58    45.00000  109.38400
   60    57    59    45.00000  109.38400
   60    62    63    60.00000  120.94000
   60    62    66    60.00000  120.94000
   60    62    68    15.00000   60.43100
   60    68    62    15.00000   59.14900
   62    60    61    37.50000  117.20000
   62    63    64    45.00000  109.38400
   62    63    65    45.00000  109.38400
   62    63    69    70.00000  112.37300
   62    66    67    45.00000  112.01100
   62    66    71    90.00000  108.56700
   62    66    72    90.00000  110.19100
   63    69    70    37.50000  110.70000
   63    69    48    58.35000  112.70000
   63    69    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    48    49    37.50000  110.70000
   69    74    75    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    69    70    37.50000  110.70000
   74    69    70    35.00000  109.50000
   74    69    48    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    81    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    80    35.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   80    78    79    35.00000  117.00000
   81    77    78    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   66    62    63    75.00000  109.43000
   66    71    54    60.00000  109.50000
   66    72    73    70.00000  107.92000
   71    66    67    35.00000  109.50000
   71    54    55    35.00000  109.50000
   71    54    56    35.00000  109.50000
   54    50    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   72    66    67    60.00000  108.02500
   72    66    71   110.00000  112.08000
   68    60    61    50.00000  114.27700
   68    60    62    15.00000   60.43100
   68    62    63    80.00000  116.47100
   68    62    66    80.00000  116.47100
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    69   0.56750  1.0 1.0
   33    39    48    69  -0.07550 -1.0 2.0
   33    39    48    69   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    69   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    69  -0.95700  1.0 1.0
   41    39    48    69  -0.18200 -1.0 2.0
   41    39    48    69   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    69   0.62750  1.0 1.0
   43    44    48    69  -0.30950 -1.0 2.0
   43    44    48    69   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    69   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    69   0.34400  1.0 1.0
   46    44    48    69   0.09450 -1.0 2.0
   46    44    48    69   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    54    71   0.39000  1.0 1.0
   46    50    54    71  -0.05800 -1.0 2.0
   46    50    54    71  -0.55150  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    60   0.34400  1.0 1.0
   50    51    57    60   0.09450 -1.0 2.0
   50    51    57    60   0.11100  1.0 3.0
   51    50    54    71   0.09700  1.0 1.0
   51    50    54    71   0.15600 -1.0 2.0
   51    50    54    71  -0.50800  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.07850  1.0 1.0
   51    57    60    62  -0.03950 -1.0 2.0
   51    57    60    62   0.67350  1.0 3.0
   51    57    60    68   0.02550  1.0 1.0
   51    57    60    68  -0.02600 -1.0 2.0
   51    57    60    68   1.20400  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60   0.15000  1.0 3.0
   57    60    62    63   0.56750  1.0 1.0
   57    60    62    63  -0.07550 -1.0 2.0
   57    60    62    63   0.20000  1.0 3.0
   57    60    62    66   3.97050  1.0 1.0
   57    60   -62    68   0.02550  1.0 1.0
   57    60   -62    68  -0.02600 -1.0 2.0
   57    60   -62    68   1.20400  1.0 3.0
   57    60   -68    62   0.06250  1.0 1.0
   57    60   -68    62  -0.01100 -1.0 2.0
   57    60   -68    62   0.28050  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    68   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    68   0.23400  1.0 3.0
   60    62    63    64   0.15000  1.0 3.0
   60    62    63    65   0.15000  1.0 3.0
   60    62    63    69   0.07850  1.0 1.0
   60    62    63    69  -0.03950 -1.0 2.0
   60    62    63    69   0.67350  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62    66    71  -0.26800  1.0 1.0
   60    62    66    71   0.69150 -1.0 2.0
   60    62    66    71  -0.48750  1.0 3.0
   60    62    66    72   0.86500  1.0 1.0
   60    62    66    72  -0.17500 -1.0 2.0
   60    62    66    72   0.20800  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60   -62    68   0.23400  1.0 3.0
   61    60   -68    62   0.36800  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    48   0.47050  1.0 1.0
   62    63    69    48   0.03900 -1.0 2.0
   62    63    69    48   0.20100  1.0 3.0
   62    63    69    74  -0.26800  1.0 1.0
   62    63    69    74   0.69150 -1.0 2.0
   62    63    69    74  -0.48750  1.0 3.0
   62    66    71    54   0.06250  1.0 1.0
   62    66    71    54  -0.01100 -1.0 2.0
   62    66    71    54   0.28050  1.0 3.0
   62    66    72    73  -0.11600  1.0 1.0
   62    66    72    73  -0.09450 -1.0 2.0
   62    66    72    73   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.62750  1.0 1.0
   63    62    66    71  -0.30950 -1.0 2.0
   63    62    66    71   0.27300  1.0 3.0
   63    62    66    72   0.86500  1.0 1.0
   63    62    66    72  -0.17500 -1.0 2.0
   63    62    66    72   0.20800  1.0 3.0
   63    62   -68    60   0.06250  1.0 1.0
   63    62   -68    60  -0.01100 -1.0 2.0
   63    62   -68    60   0.28050  1.0 3.0
   63    69    48    39   0.56750  1.0 1.0
   63    69    48    39  -0.07550 -1.0 2.0
   63    69    48    39   0.20000  1.0 3.0
   63    69    48    44   0.56750  1.0 1.0
   63    69    48    44  -0.07550 -1.0 2.0
   63    69    48    44   0.20000  1.0 3.0
   63    69    48    49   0.15000  1.0 3.0
   63    69    74    75  -0.25900  1.0 1.0
   63    69    74    75  -0.47000 -1.0 2.0
   63    69    74    75   0.11750  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   64    63    69    74   0.23400  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   65    63    69    74   0.23400  1.0 3.0
   69    74    75    76   3.00000 -1.0 2.0
   69    74    75    77   2.00000 -1.0 2.0
   70    69    48    39   0.15000  1.0 3.0
   70    69    48    44   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   70    69    74    75   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    69    74    75  -0.25900  1.0 1.0
   48    69    74    75  -0.47000 -1.0 2.0
   48    69    74    75   0.11750  1.0 3.0
   74    69    48    39   0.62750  1.0 1.0
   74    69    48    39  -0.30950 -1.0 2.0
   74    69    48    39   0.27300  1.0 3.0
   74    69    48    44   0.62750  1.0 1.0
   74    69    48    44  -0.30950 -1.0 2.0
   74    69    48    44   0.27300  1.0 3.0
   74    69    48    49   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    81  -0.15000  1.0 1.0
   74    75    77    81   0.89550 -1.0 2.0
   74    75    77    81  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    80   7.00000 -1.0 2.0
   75    77    81    82   0.15000  1.0 3.0
   75    77    81    83   0.15000  1.0 3.0
   75    77    81    84   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    81  -0.64400  1.0 1.0
   76    75    77    81   0.26850 -1.0 2.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.00000  1.0 1.0
   81    77    78    79   7.00000 -1.0 2.0
   81    77    78    80   7.00000 -1.0 2.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    69   3.97050  1.0 1.0
   66    62   -68    60   0.06250  1.0 1.0
   66    62   -68    60  -0.01100 -1.0 2.0
   66    62   -68    60   0.28050  1.0 3.0
   66    71    54    50  -0.77900  1.0 1.0
   66    71    54    50  -0.36900 -1.0 2.0
   66    71    54    50   0.40400  1.0 3.0
   66    71    54    55   0.37050  1.0 3.0
   66    71    54    56   0.37050  1.0 3.0
   67    66    71    54   0.37050  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   71    66    72    73  -0.50000  1.0 1.0
   71    66    72    73  -0.73950 -1.0 2.0
   71    66    72    73   0.17150  1.0 3.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    57   0.46850  1.0 1.0
   54    50    51    57   0.08550 -1.0 2.0
   54    50    51    57   0.09800  1.0 3.0
   72    66    71    54  -0.70900  1.0 1.0
   72    66    71    54  -1.18000 -1.0 2.0
   72    66    71    54   0.91650  1.0 3.0
   68    60   -62    63   0.02550  1.0 1.0
   68    60   -62    63  -0.02600 -1.0 2.0
   68    60   -62    63   1.20400  1.0 3.0
   68    60   -62    66   0.02550  1.0 1.0
   68    60   -62    66  -0.02600 -1.0 2.0
   68    60   -62    66   1.20400  1.0 3.0
   68    62    63    64   0.23400  1.0 3.0
   68    62    63    65   0.23400  1.0 3.0
   68    62    63    69   0.02550  1.0 1.0
   68    62    63    69  -0.02600 -1.0 2.0
   68    62    63    69   1.20400  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    71   1.11900  1.0 1.0
   68    62    66    71  -1.16350 -1.0 2.0
   68    62    66    71  -0.34150  1.0 3.0
   68    62    66    72   3.69350  1.0 1.0
   68    62    66    72  -1.82950 -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
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    81    77    78  15.00000 -1.0 2.0
   79    80    78    77  15.00000 -1.0 2.0
END
