* LIGAND DATABASE FILE (OPLS2005)
*
001      86    90    168    270     495
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067   101.44138    16.65752
    3     1 S   H    _H1_     3     1.02099    39.08481   122.35381
    4     1 S   H    _H2_     4     1.02085    75.45000   -89.89499
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.83484    97.76570   161.83583
   34    33 S   HC   _H8_    37     1.09582   104.37536   -61.85509
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C21    38     1.53884   115.21399   180.00000
   39    38 S   HC   _H7_    39     1.09935   107.22463   166.86122
   40    38 S   CT   _C20    40     1.53566   111.55162   -75.43374
   41    40 S   HC   _H6_    41     1.10059   108.90828    65.14676
   42    38 S   CO4  _C23    80     1.50193   111.34916    51.29951
   43    42 S   O    _O34    81     1.22441   124.07372  -123.67407
   44    40 S   CT   _C19    42     1.53581   113.04310  -175.76095
   45    44 S   HC   _H23    43     1.09903   110.27612    55.07002
   46    44 S   HC   _H24    44     1.09665   109.51232   -61.77680
   47    40 S   CT   _C6_    71     1.54265   109.21397   -53.68466
   48    47 S   HC   _H4_    72     1.10148   107.53312   -61.39059
   49    42 S   OS   _O35    82     1.36396   109.57145    56.30525
   50    44 S   CT   _C18    45     1.53620   110.75075   177.26820
   51    50 S   HC   _H5_    46     1.09984   109.28214    63.25672
   52    47 S   CT   _C5_    73     1.54072   109.63346    55.20621
   53    52 S   HC   _H3_    74     1.09616   110.34581    63.60045
   54    49 S   CT   _C24    83     1.43065   115.47728   179.98022
   55    54 S   HC   _H25    84     1.09287   109.50742  -179.96044
   56    54 S   HC   _H26    85     1.09292   109.53659    59.22016
   57    54 S   HC   _H27    86     1.09273   108.99256   -60.40273
   58    50 S   C5A  _C17    47     1.49610   112.53838  -177.82903
   59    33 S   OS   _O33    75     1.43286   112.21663    52.19586
   60    52 S   CT   _C4_    76     1.52589   113.08652  -175.63601
   61    60 S   HC   _H9_    77     1.08958   109.81569    57.80427
   62    60 S   HC   _H10    78     1.08935   109.90922   -62.14502
   63    60 S   HC   _H11    79     1.08861   109.89122   177.75807
   64    58 S   C5B  _C10    48     1.46304   123.47890   142.90017
   65    58 S   NA   _N5_    59     1.28935   125.64491   -41.99545
   66    65 S   H    _H22    60     1.01742   127.98265     2.53034
   67    64 S   C56B _C11    49     1.44183   105.67058   176.96526
   68    64 S   CT   _C9_    61     1.46918   121.33372    -4.05057
   69    68 S   HC   _H16    62     1.09532   110.85261   136.59416
   70    68 S   HC   _H17    63     1.09565   109.13060  -104.98981
   71    67 S   CA   _C12    50     1.37686   134.54390   179.45177
   72    71 S   HA   _H18    51     1.08377   121.88416    -0.16786
   73    68 S   CT   _C8_    64     1.54028   110.03815    15.29376
   74    73 S   HC   _H14    65     1.09863   110.25116    77.29484
   75    73 S   HC   _H15    66     1.09689   107.14499  -166.76021
   76    71 S   CA   _C13    52     1.40007   117.34184   179.83098
   77    76 S   HA   _H19    53     1.08678   119.54574  -179.97202
   78    50 S   NT   _N4_    67     1.48390   110.15626   -57.72074
   79    76 S   CA   _C14    54     1.41180   121.23774    -0.10087
   80    79 S   HA   _H20    55     1.08699   119.30197  -179.90513
   81    78 S   CT   _C7_    68     1.47226   111.09144    59.91541
   82    81 S   HC   _H12    69     1.09645   108.42086  -179.51221
   83    81 S   HC   _H13    70     1.09776   110.90161    62.86222
   84    79 S   CA   _C15    56     1.39791   121.15854     0.06256
   85    84 S   HA   _H21    57     1.08329   120.93778  -179.97202
   86    67 S   C56A _C16    58     1.40849   104.40626    -0.70443
  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   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  13   6   5  14   8
   4  15   6  10   6   3   2   1   1  13   5   4   2   1   1  15
   9   3  12   9   5   4   7   4   6   3   2   6   3   3   4   3
   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    52    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    52    53    59    60    42    43    49  
   38    39    40    52    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    81    47    48    52    59    42    43    49    54  
   40    41    44    47    59    42    43    49  
   41    44    45    46    50    51    58    78    81    82    83    47    48    52    53    59    60    42    43    49  
   44    45    46    50    81    47    48    52    42  
   43    49    54    55    56    57    44    47    59  
   49    54  
   45    46    50    51    58    64    65    73    78    81    47    48    52  
   46    50    51    58    78    47  
   50    51    58    78    47  
   48    52    53    59    60    61    62    63    50    73    78    81    82    83  
   52    53    59    60    78    81    82    83  
   54    55    56    57  
   51    58    64    67    86    65    66    68    73    74    75    78    81    82    83  
   58    64    65    73    78    81  
   53    59    60    61    62    63    78    81    82    83  
   59    60    61    62    63    81  
   55    56    57  
   56    57  
   57  
    0  
   64    67    71    84    86    65    66    68    69    70    73    78    81  
   60    61    62    63    81  
   61    62    63    81  
   62    63  
   63  
    0  
   67    71    72    76    84    86    65    66    68    69    70    73    74    75    78  
   66    68    78    67    71    79    84    85    86  
   67    84    86  
   71    72    76    77    79    84    85    86    68    69    70    73  
   69    70    73    74    75    78    81    71    86  
   70    73    74    75    78  
   73    74    75    78  
   72    76    77    79    80    84    86  
   76    77    79    86  
   74    75    78    81    82    83  
   75    78    81  
   78    81  
   77    79    80    84    85    86  
   79    80    84  
   81    82    83  
   80    84    85    86  
   84    85    86  
   82    83  
   83  
    0  
   85    86  
   86  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   59   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   65   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   66   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    59   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    58   295.000  1.489
   50    78   382.000  1.448
   58    64   520.000  1.370
   58    65   427.000  1.381
   64    67   380.000  1.440
   64    68   295.000  1.494
   67    71   469.000  1.404
   67    86   447.000  1.419
   71    72   367.000  1.080
   71    76   469.000  1.400
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   79    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    65   428.000  1.380
   65    66   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   382.000  1.448
   78    81   382.000  1.448
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    47   268.000  1.529
   47    48   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    59   320.000  1.410
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    59    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    59    52    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    47    81    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    58    70.00000  113.44400
   44    50    78    56.20000  109.47000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    58    64    55.00000  130.44200
   50    58    65    65.00000  122.56900
   50    78    73    51.80000  107.20000
   50    78    81    51.80000  107.20000
   58    50    51    45.00000  110.47400
   58    64    67    80.00000  105.82900
   58    64    68    55.00000  127.77900
   58    65    86    90.00000  107.14200
   58    65    66    35.00000  120.00000
   64    67    71    50.00000  134.85500
   64    67    86    80.00000  107.43600
   64    68    69    45.00000  111.11700
   64    68    70    45.00000  111.11700
   64    68    73    70.00000  112.62400
   67    71    72    35.00000  120.00000
   67    71    76    63.00000  120.00000
   67    86    84    85.00000  122.70000
   67    86    65    70.00000  104.40000
   71    76    77    35.00000  120.00000
   71    76    79    63.00000  120.00000
   76    71    72    35.00000  120.00000
   76    79    80    35.00000  120.00000
   76    79    84    63.00000  120.00000
   79    76    77    35.00000  120.00000
   79    84    85    35.00000  120.00000
   79    84    86    85.00000  120.00000
   84    79    80    35.00000  120.00000
   84    86    65    70.00000  132.80000
   86    67    71    85.00000  116.20000
   86    84    85    35.00000  120.00000
   86    65    66    35.00000  123.10000
   65    58    64    70.00000  106.30000
   68    64    67    55.00000  128.73000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    78    56.20000  109.47000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    78    81    51.80000  107.20000
   75    73    74    33.00000  107.80000
   78    50    51    35.00000  109.50000
   78    50    58    75.00000  112.58000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    47    56.20000  109.47000
   81    47    48    37.50000  110.70000
   81    47    52    58.35000  112.70000
   83    81    82    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    81    82    37.50000  110.70000
   47    81    83    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    59    50.00000  109.50000
   47    52    60    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   59    33    34    35.00000  109.50000
   59    33    38    50.00000  109.50000
   59    52    53    35.00000  109.50000
   60    52    53    37.50000  110.70000
   60    52    59    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    54    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    59    52   0.14700  1.0 1.0
   29    33    59    52  -1.16150 -1.0 2.0
   29    33    59    52   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    59    52   0.37050  1.0 3.0
   38    33    59    52   0.06250  1.0 1.0
   38    33    59    52  -0.01100 -1.0 2.0
   38    33    59    52   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    50   0.56750  1.0 1.0
   38    40    44    50  -0.07550 -1.0 2.0
   38    40    44    50   0.20000  1.0 3.0
   38    40    47    81   0.56750  1.0 1.0
   38    40    47    81  -0.07550 -1.0 2.0
   38    40    47    81   0.20000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40   -47    52   0.56750  1.0 1.0
   38    40   -47    52  -0.07550 -1.0 2.0
   38    40   -47    52   0.20000  1.0 3.0
   38    42    49    54   1.63150  1.0 1.0
   38    42    49    54   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    58  -0.03700  1.0 1.0
   40    44    50    58   0.37200 -1.0 2.0
   40    44    50    58  -0.47300  1.0 3.0
   40    44    50    78   1.53400  1.0 1.0
   40    44    50    78  -0.09950 -1.0 2.0
   40    44    50    78   0.05700  1.0 3.0
   40    47    52    53   0.15000  1.0 3.0
   40    47    52    59   0.62750  1.0 1.0
   40    47    52    59  -0.30950 -1.0 2.0
   40    47    52    59   0.27300  1.0 3.0
   40    47    52    60   0.56750  1.0 1.0
   40    47    52    60  -0.07550 -1.0 2.0
   40    47    52    60   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    47    81   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    52   0.15000  1.0 3.0
   44    40    47    81   0.56750  1.0 1.0
   44    40    47    81  -0.07550 -1.0 2.0
   44    40    47    81   0.20000  1.0 3.0
   44    40    47    48   0.15000  1.0 3.0
   44    40    47    52   0.56750  1.0 1.0
   44    40    47    52  -0.07550 -1.0 2.0
   44    40    47    52   0.20000  1.0 3.0
   44    50    58    64   0.04150 -1.0 2.0
   44    50    58    65   0.39850  1.0 1.0
   44    50    58    65   0.06450 -1.0 2.0
   44    50    58    65   0.32400  1.0 3.0
   44    50    78    73   0.23450  1.0 1.0
   44    50    78    73   0.02050 -1.0 2.0
   44    50    78    73   0.25250  1.0 3.0
   44    50   -78    81   0.23450  1.0 1.0
   44    50   -78    81   0.02050 -1.0 2.0
   44    50   -78    81   0.25250  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    58   0.43200  1.0 3.0
   45    44    50    78   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    58   0.43200  1.0 3.0
   46    44    50    78   0.15000  1.0 3.0
   50    58    64    67   3.62500 -1.0 2.0
   50    58    64    68   3.62500 -1.0 2.0
   50    58    65    86   3.62500 -1.0 2.0
   50    58    65    66   2.00000 -1.0 2.0
   50    78    81    82   0.28000  1.0 3.0
   50    78    81    83   0.28000  1.0 3.0
   50    78    81    47   0.23450  1.0 1.0
   50    78    81    47   0.02050 -1.0 2.0
   50    78    81    47   0.25250  1.0 3.0
   51    50    58    64   0.00000  1.0 1.0
   51    50    58    65   0.00000  1.0 1.0
   51    50    78    73   0.28000  1.0 3.0
   51    50    78    81   0.28000  1.0 3.0
   58    50    78    73   0.82600  1.0 1.0
   58    50    78    73  -0.32100 -1.0 2.0
   58    50    78    73   1.02000  1.0 3.0
   58    50    78    81   0.82600  1.0 1.0
   58    50    78    81  -0.32100 -1.0 2.0
   58    50    78    81   1.02000  1.0 3.0
   58    64    67    71   3.62500 -1.0 2.0
   58    64   -67    86   3.50000 -1.0 2.0
   58    64    68    69   0.00000  1.0 1.0
   58    64    68    70   0.00000  1.0 1.0
   58    64   -68    73   0.04150 -1.0 2.0
   64    58   -65    86   3.62500 -1.0 2.0
   64    58    65    66   1.40000 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    76   3.62500 -1.0 2.0
   64    67    86    84   3.00000 -1.0 2.0
   64    67   -86    65   3.00000 -1.0 2.0
   64    68    73    74   0.43200  1.0 3.0
   64    68    73    75   0.43200  1.0 3.0
   64    68    73    78   0.83750  1.0 1.0
   64    68    73    78   0.32200 -1.0 2.0
   64    68    73    78   0.70600  1.0 3.0
   67    64    68    69   0.00000  1.0 1.0
   67    64    68    70   0.00000  1.0 1.0
   67    64    68    73   0.04150 -1.0 2.0
   67    71    76    77   3.62500 -1.0 2.0
   67    71    76    79   3.62500 -1.0 2.0
   67    86   -65    58   3.62500 -1.0 2.0
   67    86    65    66   1.52500 -1.0 2.0
   71    67    86    84   3.00000 -1.0 2.0
   71    67    86    65   3.00000 -1.0 2.0
   71    76    79    80   3.62500 -1.0 2.0
   71    76   -79    84   3.62500 -1.0 2.0
   72    71    76    77   3.62500 -1.0 2.0
   72    71    76    79   3.62500 -1.0 2.0
   76    79    84    85   3.62500 -1.0 2.0
   76    79    84    86   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   77    76    79    84   3.62500 -1.0 2.0
   79    84   -86    67   3.62500 -1.0 2.0
   79    84    86    65   3.62500 -1.0 2.0
   80    79    84    85   3.62500 -1.0 2.0
   80    79    84    86   3.62500 -1.0 2.0
   84    86    65    58   3.62500 -1.0 2.0
   84    86    65    66   1.52500 -1.0 2.0
   85    84    86    67   3.62500 -1.0 2.0
   85    84    86    65   3.62500 -1.0 2.0
   86    67    71    72   3.50000 -1.0 2.0
   86    67   -71    76   3.50000 -1.0 2.0
   65    58   -64    67   3.62500 -1.0 2.0
   65    58    64    68   3.62500 -1.0 2.0
   68    64    67    71   3.62500 -1.0 2.0
   68    64    67    86   3.62500 -1.0 2.0
   68    73   -78    50   0.23450  1.0 1.0
   68    73   -78    50   0.02050 -1.0 2.0
   68    73   -78    50   0.25250  1.0 3.0
   68    73    78    81   0.23450  1.0 1.0
   68    73    78    81   0.02050 -1.0 2.0
   68    73    78    81   0.25250  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    78   0.15000  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    78   0.15000  1.0 3.0
   73    78    81    82   0.28000  1.0 3.0
   73    78    81    83   0.28000  1.0 3.0
   73    78    81    47   0.23450  1.0 1.0
   73    78    81    47   0.02050 -1.0 2.0
   73    78    81    47   0.25250  1.0 3.0
   74    73    78    50   0.28000  1.0 3.0
   74    73    78    81   0.28000  1.0 3.0
   75    73    78    50   0.28000  1.0 3.0
   75    73    78    81   0.28000  1.0 3.0
   78    50   -58    64   0.18550 -1.0 2.0
   78    50   -58    64   0.14000  1.0 3.0
   78    50    58    65   0.04300 -1.0 2.0
   78    81   -47    40   1.53400  1.0 1.0
   78    81   -47    40  -0.09950 -1.0 2.0
   78    81   -47    40   0.05700  1.0 3.0
   78    81    47    48   0.15000  1.0 3.0
   78    81    47    52   1.53400  1.0 1.0
   78    81    47    52  -0.09950 -1.0 2.0
   78    81    47    52   0.05700  1.0 3.0
   81    47    52    53   0.15000  1.0 3.0
   81    47    52    59   0.62750  1.0 1.0
   81    47    52    59  -0.30950 -1.0 2.0
   81    47    52    59   0.27300  1.0 3.0
   81    47    52    60   0.56750  1.0 1.0
   81    47    52    60  -0.07550 -1.0 2.0
   81    47    52    60   0.20000  1.0 3.0
   82    81    47    40   0.15000  1.0 3.0
   82    81    47    48   0.15000  1.0 3.0
   82    81    47    52   0.15000  1.0 3.0
   83    81    47    40   0.15000  1.0 3.0
   83    81    47    48   0.15000  1.0 3.0
   83    81    47    52   0.15000  1.0 3.0
   47    40    44    45   0.15000  1.0 3.0
   47    40    44    46   0.15000  1.0 3.0
   47    40   -44    50   0.56750  1.0 1.0
   47    40   -44    50  -0.07550 -1.0 2.0
   47    40   -44    50   0.20000  1.0 3.0
   47    52   -59    33   0.06250  1.0 1.0
   47    52   -59    33  -0.01100 -1.0 2.0
   47    52   -59    33   0.28050  1.0 3.0
   47    52    60    61   0.15000  1.0 3.0
   47    52    60    62   0.15000  1.0 3.0
   47    52    60    63   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    59   0.23400  1.0 3.0
   48    47    52    60   0.15000  1.0 3.0
   53    52    59    33   0.37050  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   59    33    38    39   0.23400  1.0 3.0
   59    33   -38    40   0.62750  1.0 1.0
   59    33   -38    40  -0.30950 -1.0 2.0
   59    33   -38    40   0.27300  1.0 3.0
   59    33    38    42  -0.09450  1.0 1.0
   59    33    38    42  -1.12950 -1.0 2.0
   59    33    38    42   0.54000  1.0 3.0
   59    52    60    61   0.23400  1.0 3.0
   59    52    60    62   0.23400  1.0 3.0
   59    52    60    63   0.23400  1.0 3.0
   60    52    59    33   0.06250  1.0 1.0
   60    52    59    33  -0.01100 -1.0 2.0
   60    52    59    33   0.28050  1.0 3.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    54    55   0.08050  1.0 3.0
   42    49    54    56   0.08050  1.0 3.0
   42    49    54    57   0.08050  1.0 3.0
   43    42    49    54   3.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   64    65    58    50   4.00000 -1.0 2.0
   67    68    64    58   4.00000 -1.0 2.0
   71    86    67    64   4.00000 -1.0 2.0
   76    72    71    67   1.10000 -1.0 2.0
   79    77    76    71   1.10000 -1.0 2.0
   84    80    79    76   1.10000 -1.0 2.0
   86    85    84    79   1.10000 -1.0 2.0
   84    65    86    67   4.00000 -1.0 2.0
   66    58    65    86   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
