* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    165    255     490
    1     0 S   NP   _N1_     1    28.62770    94.83153   -24.17129
    2     1 S   H    _HN1     2     1.02777   108.92301   -78.31775
    3     1 S   H    _H1_     3     1.02959    79.71852    27.68876
    4     1 S   H    _H2_     4     1.02834    28.87407  -171.26765
    5     1 S   CT   _CA1     5     1.50126   130.96058   135.81257
    6     5 S   HC   _HA1     6     1.09576   105.21927    83.47338
    7     5 S   CO3  _C1_     7     1.53773   112.39257   -36.71050
    8     7 S   O2Z  _O11     8     1.26360   114.99409   -43.51427
    9     7 S   O2Z  _O12     9     1.26238   114.91624   135.61438
   10     5 S   CT   _CB1    10     1.53090   107.41842  -158.63383
   11    10 S   HC   HB11    11     1.09827   109.28382   -50.85710
   12    10 S   HC   HB12    12     1.09818   110.42981    65.67342
   13    10 S   CT   _CG1    13     1.53020   112.71155  -171.96256
   14    13 S   HC   HG11    14     1.09595   110.46584   -64.75169
   15    13 S   HC   HG12    15     1.09656   109.95591    54.48138
   16    13 S   C    _CD1    16     1.51828   112.29701   174.80242
   17    16 S   O    _OE1    17     1.22728   123.25118    -0.49258
   18    16 S   N    _N2_    18     1.38636   111.67505   179.72948
   19    18 S   H    _HN2    19     1.01585   119.03870     1.00152
   20    18 S   CT1  _CA2    20     1.46113   123.34068   179.33618
   21    20 S   HC   _HA2    21     1.09730   109.40305    -5.45291
   22    20 S   C    _C2_    22     1.53531   108.66421  -121.12277
   23    22 S   O    _O2_    23     1.23063   122.24085  -146.22985
   24    20 S   CT   _CB2    32     1.53209   111.63397   116.58072
   25    24 S   HC   HB21    33     1.09607   110.20794    55.80798
   26    24 S   HC   HB22    34     1.09485   109.73572   174.55626
   27    22 S   N    _N3_    24     1.38492   113.54265    41.28418
   28    27 S   H    _HN3    25     1.01500   119.03652    -0.49535
   29    24 S   S    _SG2    35     1.82881   112.33561   -65.41954
   30    27 S   CT   _CA3    26     1.45417   123.16781   175.13103
   31    30 S   HC   HA31    27     1.09542   109.02113    29.78925
   32    30 S   HC   HA32    28     1.09493   107.22663   146.72890
   33    29 S   CT   _C11    36     1.83941    98.37856   178.18814
   34    33 S   HC   _H7_    37     1.09712   106.72480   -59.37747
   35    30 S   CO3  _C3_    29     1.52908   113.04182   -93.51817
   36    35 S   O2Z  _O31    30     1.26404   115.32410   -48.26464
   37    35 S   O2Z  _O32    31     1.26349   115.03278   132.58709
   38    33 S   CT   _C12    38     1.53659   112.25009   179.08979
   39    38 S   HC   _H8_    39     1.10077   106.66701   -56.40152
   40    33 S   OS   _O34    53     1.42747   108.59194    59.21627
   41    38 S   CT   _C8_    40     1.53920   111.88888  -172.51169
   42    41 S   HC   _H4_    41     1.09810   108.94789   163.51605
   43    38 S   CO4  _C13    81     1.52222   113.04390    61.00085
   44    43 S   O    _O35    82     1.22373   125.06288    19.02393
   45    41 S   CO4  _C7_    42     1.52367   117.50335   -76.57044
   46    45 S   O    _O33    43     1.22398   125.06577   -38.81828
   47    43 S   OS   _O36    83     1.36619   109.37263  -161.36966
   48    45 S   CT   _C6_    44     1.51174   112.27141   142.55679
   49    48 S   HC   _H17    45     1.09284   110.77737   126.40937
   50    48 S   HC   _H18    46     1.09417   108.44049  -112.58038
   51    47 S   CT   _C14    84     1.43034   115.13179  -179.30283
   52    51 S   HC   _H19    85     1.09326   108.10395   179.87805
   53    51 S   HC   _H20    86     1.09426   110.28246    61.20978
   54    51 S   HC   _H21    87     1.09423   110.29978   -61.42774
   55    48 S   CT   _C5_    47     1.53328   103.13063     5.36096
   56    55 S   HC   _H3_    48     1.09620   110.01421  -146.76456
   57    41 S   CT   _C9_    49     1.54217   114.03446    40.73483
   58    57 S   HC   _H5_    50     1.09788   109.61034    79.89833
   59    55 S   CT   _C4_    77     1.53040   111.45079    94.20865
   60    59 S   HC   _H14    78     1.09438   112.38431   -56.08073
   61    59 S   HC   _H15    79     1.09499   110.53207  -176.87344
   62    59 S   HC   _H16    80     1.09532   110.34577    64.04355
   63    57 S   CO   _C10    51     1.54017   111.86226   -40.25985
   64    63 S   HC   _H6_    52     1.09697   111.05254   -68.54354
   65    63 S   OS1  _O37    54     1.43363   108.23604   173.05708
   66    65 S   CO1  _C15    55     1.43538   112.60646  -176.48464
   67    66 S   HC   _H9_    56     1.09779   108.07799    61.81258
   68    66 S   CT   _C16    57     1.53309   108.04563  -179.67979
   69    68 S   HC   _H10    58     1.09667   109.99388    54.49012
   70    68 S   CT   _C17    59     1.53283   110.95628   176.39755
   71    70 S   HC   _H11    60     1.09675   110.15470    74.18220
   72    68 S   OH5  _O42    75     1.42914   110.07134   -62.38847
   73    72 S   HO   _H27    76     0.97241   108.17201   -60.18775
   74    70 S   CT   _C18    61     1.53322   111.62510   -48.46566
   75    74 S   HC   _H12    62     1.09702   109.01233   -72.18411
   76    70 S   OH5  _O41    73     1.42955   109.58209  -170.06249
   77    76 S   HO   _H26    74     0.97236   108.14290    61.09689
   78    74 S   CT   _C19    63     1.53216   110.71782    49.02537
   79    78 S   HC   _H13    64     1.09808   110.95515    64.12129
   80    74 S   OH5  _O40    71     1.42577   109.68360   170.99183
   81    80 S   HO   _H25    72     0.97299   108.18783   -60.11875
   82    66 S   OS1  _O38    65     1.42857   111.49398   -59.31010
   83    78 S   CT   _C20    66     1.52890   111.83869  -175.03604
   84    83 S   HC   _H22    67     1.09493   111.04935    68.54569
   85    83 S   HC   _H23    68     1.09399   111.50090   -53.89310
   86    83 S   OH5  _O39    69     1.42556   108.98359  -172.85963
   87    86 S   HO   _H24    70     0.97239   106.98455  -180.00000
  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  15   8   9  17   8   8   2  10   5   4  11
   5   4   3   2   1   1  10   7   9   4   4   2   1   1   6   2
   8  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    63    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    57    63    64    40    65    43    44    47  
   38    39    41    63    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    48    55    57    58    63    40    43    44    47    51  
   41    42    45    57    40    43    44    47  
   65    66    43    41    55    57    58    63    64  
   42    45    46    48    49    50    55    56    57    58    63    64    65    59    43    44    47  
   45    46    48    55    57    58    63    43  
   44    47    51    52    53    54    45    57  
   47    51  
   46    48    49    50    55    56    57    58    63    59  
   48    49    50    55    57  
   51    52    53    54  
   49    50    55    56    57    58    63    59    60    61    62  
   50    55    56    57    59  
   55    56    57    59  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    63    64    65    59    60    61    62  
   57    58    63    59    60    61    62  
   58    63    64    65    66    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    82  
   65    66  
   66    67    68    69    70    78    82    72  
   67    68    69    70    71    74    78    79    82    83    76    72    73  
   68    69    70    78    82    72  
   69    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   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
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   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    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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   317.000  1.522
   41    57   268.000  1.529
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   250.000  1.527
   63    64   340.000  1.090
   63    40   320.000  1.380
   63    65   320.000  1.380
   65    66   370.000  1.399
   66    67   360.000  1.097
   66    68   255.000  1.525
   66    82   370.000  1.399
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    63    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    63.00000  111.10000
   38    41    57    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    47    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    80.00000  120.40000
   41    45    48    70.00000  116.00000
   41    57    55    58.35000  112.70000
   41    57    58    37.50000  110.70000
   41    57    63    75.00000  109.43000
   45    41    42    35.00000  109.50000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    55    63.00000  111.10000
   48    45    46    80.00000  120.40000
   48    55    56    37.50000  110.70000
   48    55    57    58.35000  112.70000
   48    55    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    63    75.00000  109.43000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    41    42    37.50000  110.70000
   57    41    45    63.00000  111.10000
   57    55    56    37.50000  110.70000
   57    63    64    45.00000  112.01100
   57    63    40    90.00000  108.56700
   57    63    65    90.00000  108.56700
   63    57    58    45.00000  108.72000
   63    65    66    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    63    64    35.00000  109.50000
   65    63    64    35.00000  109.50000
   65    63    40    92.60000  111.55000
   65    66    67    60.00000  105.75400
   65    66    68    90.00000  109.70700
   65    66    82   110.00000  113.16000
   66    68    69    45.00000  109.54000
   66    68    70    70.00000  111.10000
   66    68    72    90.00000  109.42000
   66    82    78    90.00000  112.10700
   68    66    67    45.00000  111.65000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    90.00000  111.45300
   68    72    73    65.00000  108.53500
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    90.00000  111.45300
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    66    67    60.00000  105.75400
   82    66    68    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    68    69    60.00000  109.39000
   72    68    70    90.00000  111.45300
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    47    51    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    63   0.14700  1.0 1.0
   29    33    40    63  -1.16150 -1.0 2.0
   29    33    40    63   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45  -0.95700  1.0 1.0
   33    38    41    45  -0.18200 -1.0 2.0
   33    38    41    45   0.29450  1.0 3.0
   33    38    41    57   0.56750  1.0 1.0
   33    38    41    57  -0.07550 -1.0 2.0
   33    38    41    57   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    63   0.37050  1.0 3.0
   38    33    40    63   0.06250  1.0 1.0
   38    33    40    63  -0.01100 -1.0 2.0
   38    33    40    63   0.28050  1.0 3.0
   38    41    45    46   0.30150 -1.0 2.0
   38    41    45    48   0.60050  1.0 1.0
   38    41    45    48   0.05600 -1.0 2.0
   38    41    45    48   0.26150  1.0 3.0
   38    41    57    55   0.56750  1.0 1.0
   38    41    57    55  -0.07550 -1.0 2.0
   38    41    57    55   0.20000  1.0 3.0
   38    41    57    58   0.15000  1.0 3.0
   38    41   -57    63   3.97050  1.0 1.0
   38    43    47    51   1.63150  1.0 1.0
   38    43    47    51   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45  -0.11250  1.0 3.0
   39    38    41    57   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    47   0.36750  1.0 3.0
   41    45    48    49   0.00000  1.0 1.0
   41    45    48    50   0.00000  1.0 1.0
   41    45   -48    55   0.60050  1.0 1.0
   41    45   -48    55   0.05600 -1.0 2.0
   41    45   -48    55   0.26150  1.0 3.0
   41    57    63    64   0.15000  1.0 3.0
   41    57    63    40   0.62750  1.0 1.0
   41    57    63    40  -0.30950 -1.0 2.0
   41    57    63    40   0.27300  1.0 3.0
   41    57    63    65   0.62750  1.0 1.0
   41    57    63    65  -0.30950 -1.0 2.0
   41    57    63    65   0.27300  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
   42    41    57    55   0.15000  1.0 3.0
   42    41    57    58   0.15000  1.0 3.0
   42    41    57    63   0.15000  1.0 3.0
   45    41   -57    55  -0.95700  1.0 1.0
   45    41   -57    55  -0.18200 -1.0 2.0
   45    41   -57    55   0.29450  1.0 3.0
   45    41    57    58  -0.11250  1.0 3.0
   45    41    57    63  -0.95700  1.0 1.0
   45    41    57    63  -0.18200 -1.0 2.0
   45    41    57    63   0.29450  1.0 3.0
   45    48    55    56  -0.11250  1.0 3.0
   45    48   -55    57  -0.95700  1.0 1.0
   45    48   -55    57  -0.18200 -1.0 2.0
   45    48   -55    57   0.29450  1.0 3.0
   45    48    55    59  -0.95700  1.0 1.0
   45    48    55    59  -0.18200 -1.0 2.0
   45    48    55    59   0.29450  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    55   0.30150 -1.0 2.0
   48    55   -57    41   0.56750  1.0 1.0
   48    55   -57    41  -0.07550 -1.0 2.0
   48    55   -57    41   0.20000  1.0 3.0
   48    55    57    58   0.15000  1.0 3.0
   48    55    57    63   3.97050  1.0 1.0
   48    55    59    60   0.15000  1.0 3.0
   48    55    59    61   0.15000  1.0 3.0
   48    55    59    62   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    59   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    59   0.15000  1.0 3.0
   55    57    63    64   0.15000  1.0 3.0
   55    57    63    40   0.62750  1.0 1.0
   55    57    63    40  -0.30950 -1.0 2.0
   55    57    63    40   0.27300  1.0 3.0
   55    57    63    65   0.62750  1.0 1.0
   55    57    63    65  -0.30950 -1.0 2.0
   55    57    63    65   0.27300  1.0 3.0
   56    55    57    41   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    63   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   57    41    45    46   0.30150 -1.0 2.0
   57    41   -45    48   0.60050  1.0 1.0
   57    41   -45    48   0.05600 -1.0 2.0
   57    41   -45    48   0.26150  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    62   0.15000  1.0 3.0
   57    63   -40    33   0.06250  1.0 1.0
   57    63   -40    33  -0.01100 -1.0 2.0
   57    63   -40    33   0.28050  1.0 3.0
   57    63    65    66   0.06250  1.0 1.0
   57    63    65    66  -0.01100 -1.0 2.0
   57    63    65    66   0.28050  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    40   0.23400  1.0 3.0
   58    57    63    65   0.23400  1.0 3.0
   63    65    66    67   0.37050  1.0 3.0
   63    65    66    68   0.06250  1.0 1.0
   63    65    66    68  -0.01100 -1.0 2.0
   63    65    66    68   0.28050  1.0 3.0
   63    65    66    82  -0.12700  1.0 1.0
   63    65    66    82  -1.16200 -1.0 2.0
   63    65    66    82   0.58800  1.0 3.0
   64    63    40    33   0.37050  1.0 3.0
   64    63    65    66   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    63    65    66  -0.53350  1.0 1.0
   40    63    65    66  -0.78350 -1.0 2.0
   40    63    65    66   0.33750  1.0 3.0
   65    63    40    33  -0.81800  1.0 1.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   1.51850  1.0 1.0
   65    66    82    78  -0.70400  1.0 1.0
   65    66    82    78  -0.90350 -1.0 2.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76  -0.47750  1.0 1.0
   66    68    72    73   0.29150  1.0 1.0
   66    68    72    73  -0.28350 -1.0 2.0
   66    68    72    73   0.43600  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    82    78   0.37050  1.0 3.0
   68    66    82    78   0.06250  1.0 1.0
   68    66    82    78  -0.01100 -1.0 2.0
   68    66    82    78   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.56750  1.0 1.0
   68    70   -74    78  -0.07550 -1.0 2.0
   68    70   -74    78   0.20000  1.0 3.0
   68    70    74    80  -0.47750  1.0 1.0
   68    70    76    77   0.29150  1.0 1.0
   68    70    76    77  -0.28350 -1.0 2.0
   68    70    76    77   0.43600  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73   0.29150  1.0 1.0
   70    68    72    73  -0.28350 -1.0 2.0
   70    68    72    73   0.43600  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81   0.29150  1.0 1.0
   70    74    80    81  -0.28350 -1.0 2.0
   70    74    80    81   0.43600  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    78   -82    66   0.06250  1.0 1.0
   74    78   -82    66  -0.01100 -1.0 2.0
   74    78   -82    66   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    66   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    66    68    69   0.23400  1.0 3.0
   82    66   -68    70   0.62750  1.0 1.0
   82    66   -68    70  -0.30950 -1.0 2.0
   82    66   -68    70   0.27300  1.0 3.0
   82    66    68    72   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    66   0.06250  1.0 1.0
   83    78    82    66  -0.01100 -1.0 2.0
   83    78    82    66   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78  -0.47750  1.0 1.0
   76    70    74    80   3.77950  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74  -0.47750  1.0 1.0
   72    68    70    76   3.77950  1.0 1.0
   59    55    57    41   0.56750  1.0 1.0
   59    55    57    41  -0.07550 -1.0 2.0
   59    55    57    41   0.20000  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   3.97050  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45   0.11950  1.0 1.0
   43    38    41    45   0.20300 -1.0 2.0
   43    38    41    45  -0.70800  1.0 3.0
   43    38    41    57  -0.95700  1.0 1.0
   43    38    41    57  -0.18200 -1.0 2.0
   43    38    41    57   0.29450  1.0 3.0
   43    47    51    52   0.08050  1.0 3.0
   43    47    51    53   0.08050  1.0 3.0
   43    47    51    54   0.08050  1.0 3.0
   44    43    47    51   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
   41    48    45    46  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
END
