* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    159    243     450
    1     0 S   NP   _N1_     1    28.95411    95.06494   -19.23825
    2     1 S   H    _HN1     2     1.02773    74.78223   -98.36275
    3     1 S   H    _H1_     3     1.02848    90.09174    10.65390
    4     1 S   H    _H2_     4     1.02974    44.97298   125.28478
    5     1 S   CT   _CA1     5     1.50629   152.50215   152.74524
    6     5 S   HC   _HA1     6     1.09676   104.61646    44.23140
    7     5 S   CO3  _C1_     7     1.54582   110.96708   -71.39583
    8     7 S   O2Z  _O11     8     1.26041   116.80079  -130.02152
    9     7 S   O2Z  _O12     9     1.26610   113.70057    49.07741
   10     5 S   CT   _CB1    10     1.53120   106.85396   160.53702
   11    10 S   HC   HB11    11     1.09825   110.19850   -39.60460
   12    10 S   HC   HB12    12     1.09793   109.99623    77.12828
   13    10 S   CT   _CG1    13     1.52938   112.35535  -160.28368
   14    13 S   HC   HG11    14     1.09366   110.54635   -53.00729
   15    13 S   HC   HG12    15     1.09556   109.96042    66.13934
   16    13 S   C    _CD1    16     1.51587   112.07515  -173.95759
   17    16 S   O    _OE1    17     1.22767   123.04382   -19.07232
   18    16 S   N    _N2_    18     1.38621   111.82907   161.43754
   19    18 S   H    _HN2    19     1.01601   119.24187     2.43277
   20    18 S   CT1  _CA2    20     1.46100   123.10341  -175.10683
   21    20 S   HC   _HA2    21     1.09688   109.24491   -10.73394
   22    20 S   C    _C2_    22     1.53461   109.74374  -127.40621
   23    22 S   O    _O2_    23     1.23108   121.71260  -159.87787
   24    20 S   CT   _CB2    32     1.53931   111.35840   110.89377
   25    24 S   HC   HB21    33     1.09345   108.34306    64.33550
   26    24 S   HC   HB22    34     1.09382   109.85589  -177.49759
   27    22 S   N    _N3_    24     1.38231   114.31973    26.11258
   28    27 S   H    _HN3    25     1.01621   119.42383    -1.79166
   29    24 S   S    _SG2    35     1.82945   111.71810   -56.20440
   30    27 S   CT   _CA3    26     1.45336   123.02102   178.44783
   31    30 S   HC   HA31    27     1.09548   107.16657   -72.56033
   32    30 S   HC   HA32    28     1.09562   108.33912    43.87170
   33    29 S   CT   _C9_    36     1.89523   103.24433   179.72024
   34    30 S   CO3  _C3_    29     1.52907   114.37772   165.98249
   35    34 S   O2Z  _O31    30     1.26352   116.16930    -5.04939
   36    34 S   O2Z  _O32    31     1.26422   114.41755   175.15544
   37    33 S   CT   _C10    37     1.55923   111.30797   -45.66690
   38    37 S   HC   _H11    38     1.09514   110.77050    64.67196
   39    37 S   HC   _H12    39     1.09436   110.58709  -179.77358
   40    33 S   CT   _C8_    73     1.55643   107.99973    72.72169
   41    40 S   HC   _H9_    74     1.09603   109.92106   -60.05311
   42    40 S   HC   _H10    75     1.09549   110.01473  -175.82472
   43    37 S   S    _S2_    40     1.82827   115.90397   -58.04286
   44    40 S   S    _S1_    76     1.83048   116.07692    62.89816
   45    43 S   C4T  _C11    41     1.81580    96.93072   -56.10855
   46    45 S   HC   _H3_    42     1.09528   114.13111   -78.62637
   47    44 S   CDX  _C5_    77     1.77179    98.26644  -164.78419
   48    45 S   C4T  _C12    43     1.55595   117.13518   144.63794
   49    48 S   HC   _H4_    44     1.09689   113.59742   135.19334
   50    45 S   N4   _N7_    47     1.45310   109.23356    48.10598
   51    47 S   NI   _N5_    78     1.29561   115.16873   -76.37627
   52    48 S   C4   _C13    45     1.55520    85.08719  -112.84832
   53    52 S   O    _O35    46     1.20898   136.56315  -178.74664
   54    33 S   CT1  _C14    48     1.56888   105.59460  -166.07564
   55    54 S   HC   _H5_    49     1.09967   109.14107   -42.88340
   56    48 S   N    _N8_    53     1.47993   119.25800     1.50103
   57    56 S   H    _H13    54     1.02186   119.24993  -106.26977
   58    51 S   C    _C6_    79     1.37834   115.59122  -179.92087
   59    58 S   O    _O33    80     1.22693   120.94562   178.55409
   60    54 S   CO3  _C15    50     1.55021   117.28035  -162.20699
   61    60 S   O2Z  _O37    51     1.26178   116.29695   -41.41761
   62    60 S   O2Z  _O36    52     1.26503   114.62455   139.76395
   63    56 S   C    _C16    55     1.37989   122.86185    77.98777
   64    63 S   O    _O38    56     1.22086   128.25116    -1.53608
   65    58 S   CHZ  _C7_    81     1.54586   119.31609    -1.36157
   66    65 S   OM   _O34    82     1.24225   109.19054  -178.39917
   67    63 S   CD   _C17    57     1.50926   112.96122   178.53674
   68    65 S   NI   _N6_    83     1.29768   120.02960     1.56072
   69    67 S   C5B  _C19    58     1.45862   119.87329    83.52090
   70    67 S   NI   _N9_    67     1.29865   114.04901   -96.33843
   71    47 S   NE   _N4_    84     1.38664   119.34936   103.65523
   72    69 S   C5A  _C20    59     1.38240   124.00883    25.29525
   73    72 S   HA   _H17    60     1.08017   128.86474     3.04523
   74    70 S   OS   _O39    68     1.39852   113.10640  -177.91531
   75    71 S   CT   _C4_    85     1.45750   124.32332    -0.27268
   76    75 S   HC   _H6_    86     1.09484   110.77287    58.95749
   77    75 S   HC   _H7_    87     1.09480   110.61206   -62.43651
   78    75 S   HC   _H8_    88     1.09641   111.58196   178.22216
   79    72 S   SA   _S3_    61     1.71003   110.57369  -177.02086
   80    74 S   CT   _C18    69     1.41917   108.20109  -179.92087
   81    80 S   HC   _H14    70     1.09315   108.46553   178.33000
   82    80 S   HC   _H15    71     1.09414   110.54629    59.21426
   83    80 S   HC   _H16    72     1.09439   110.24559   -62.71526
   84    79 S   CRA  _C21    62     1.72128    89.79874    -0.58584
   85    69 S   N5B  _N10    63     1.38892   122.14153  -152.58247
   86    84 S   NE   _N11    64     1.34563   120.37525   178.96203
   87    86 S   H    _H18    65     1.01344   121.72831  -179.91844
   88    86 S   H    _H19    66     1.01858   121.95272    -4.67034
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  12   6  10  10
   6   8   7   7   2   4   3   6   3   5   3   2   1   1   7   3
   4   2   9   5   8   7   4   5   3   4   3   2   1   1   5   3
   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    54    55    60    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    52    50    54    55    60    61    62    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    50    54    55    60    40    41    42    44  
   39    43    45    54    40  
   43    45    54    40  
   41    42    44    47    51    71    43    50    54    55    60  
   42    44    47    54  
   44    47    54  
   45    46    48    49    52    50    54    56  
   47    51    58    68    71    75    54  
   46    48    49    52    53    50    54    55    60    56    57    63  
   48    49    52    50    54    56  
   51    58    59    65    68    71    75    76    77    78  
   49    52    53    50    54    56    57    63    64    67  
   52    53    50    56    57    63  
   54    55    60    61    62    56    52    53  
   58    59    65    66    68    71    75  
   53    54    55    60    56    57    63  
   54    56  
   55    60    61    62  
   60    61    62  
   57    63    64    67    69    70  
   63    64    67  
   59    65    66    68    71  
   65    66    68  
   61    62  
   62  
    0  
   64    67    69    72    85    70    74  
   67    69    70  
   66    68    71    75  
   68    71  
   69    72    73    79    84    85    70    74    80  
   71    75    76    77    78  
   72    73    79    84    85    86    70    74  
   74    80    81    82    83    72    85  
   75    76    77    78  
   73    79    84    85    86  
   79    84    85  
   80    81    82    83  
   76    77    78  
   77    78  
   78  
    0  
   84    85    86    87    88  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.341500   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   52   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.168800   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.7500   0.1050   0.537900   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   67   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   68   3.2800   0.1700  -0.676700   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.2500   0.1700  -0.097500   1.9050   1.6860   0.051222218  -2.220205820
   72   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   80   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   85   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   86   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   87   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.360000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   305.000  1.456
   48    49   340.000  1.090
   48    52   250.000  1.540
   48    56   337.000  1.449
   52    53   930.000  1.212
   52    50   440.000  1.369
   50    54   337.000  1.449
   54    55   340.000  1.090
   54    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   56    57   434.000  1.010
   56    63   490.000  1.335
   63    64   570.000  1.229
   63    67   270.000  1.486
   67    69   305.000  1.466
   67    70   500.000  1.261
   69    72   520.000  1.370
   69    85   410.000  1.394
   72    73   367.000  1.080
   72    79   265.000  1.745
   79    84   250.000  1.765
   84    85   488.000  1.335
   84    86   420.000  1.385
   86    87   434.000  1.010
   86    88   434.000  1.010
   70    74   320.000  1.394
   74    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   215.000  1.812
   47    51   650.000  1.285
   47    71   445.000  1.380
   51    58   415.000  1.368
   58    59   570.000  1.229
   58    65   300.000  1.463
   65    66   795.000  1.237
   65    68   645.000  1.280
   68    71   355.000  1.315
   71    75   382.000  1.448
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    54    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    54    50    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    60    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    48    49    37.50000  110.70000
   45    48    52   100.00000   86.36000
   45    48    56    80.00000  110.05700
   45    50    52   100.00000   93.00000
   45    50    54    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    52    53    60.00000  136.58000
   48    52    50    95.00000   92.72400
   48    56    57    38.00000  118.40000
   48    56    63    50.00000  121.90000
   52    48    49    40.00000  113.37500
   52    50    54    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    48   105.00000   87.49700
   50    52    53    75.00000  131.60000
   50    54    55    35.00000  109.50000
   50    54    60    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    60    61    70.00000  117.00000
   54    60    62    70.00000  117.00000
   60    54    55    35.00000  109.50000
   62    60    61    80.00000  126.00000
   56    48    49    50.00000  112.01000
   56    48    52    75.00000  110.24000
   56    63    64    80.00000  122.90000
   56    63    67    75.00000  109.57000
   63    56    57    35.00000  119.80000
   63    67    69    75.00000  114.44000
   63    67    70    65.00000  123.79500
   67    63    64    80.00000  120.45000
   67    69    72    60.00000  121.09900
   67    69    85    60.00000  126.00000
   67    70    74   100.00000  109.52600
   69    72    73    35.00000  130.70000
   69    72    79    80.00000  111.29200
   69    85    84    70.00000  110.00000
   72    79    84   120.00000   89.04400
   79    72    73    40.00000  122.38200
   79    84    85    80.00000  114.57700
   79    84    86    70.00000  122.29500
   84    86    87    35.00000  113.50000
   84    86    88    35.00000  113.50000
   85    69    72    70.00000  111.00000
   86    84    85    75.00000  125.31200
   88    86    87    35.00000  109.00000
   70    67    69    65.00000  124.33800
   70    74    80   110.00000  106.71400
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    44    47    90.00000  100.00000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    51    65.00000  128.43400
   44    47    71    85.00000  112.68500
   47    51    58    75.00000  109.13600
   47    71    68    80.00000  120.90300
   47    71    75    50.00000  119.50000
   51    58    59    80.00000  126.08800
   51    58    65    75.00000  113.76000
   58    65    66    80.00000  114.00000
   58    65    68    70.00000  119.25000
   65    58    59    80.00000  120.92000
   65    68    71    85.00000  114.46500
   68    65    66    75.00000  134.47000
   68    71    75    85.00000  114.74000
   71    47    51    75.00000  124.36500
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    54    50   0.71400  1.0 1.0
   29    33    54    50   0.04300 -1.0 2.0
   29    33    54    50   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60  -2.17200  1.0 1.0
   29    33    54    60  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    54    60    61   0.00000  1.0 1.0
   33    54    60    62   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   37    33    54    50   0.42250  1.0 1.0
   37    33    54    50  -0.48100 -1.0 2.0
   37    33    54    50   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    60  -0.84850  1.0 1.0
   37    33    54    60  -0.22800 -1.0 2.0
   37    33    54    60   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    49   0.00000  1.0 1.0
   43    45    48    52   0.00000  1.0 1.0
   43    45    48    56   0.00000  1.0 1.0
   43    45   -50    52   0.00000  1.0 1.0
   43    45    50    54   0.00000  1.0 1.0
   45    48    52    53  -0.11250  1.0 1.0
   45    48    52    53   0.11400 -1.0 2.0
   45    48    52    53  -0.28950  1.0 3.0
   45    48   -52    50   3.00000 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    63  -0.43950  1.0 1.0
   45    48    56    63  -0.08100 -1.0 2.0
   45    48    56    63   0.03350  1.0 3.0
   45    50   -54    33   0.00000  1.0 1.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    60   0.00000  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45   -50    52   0.00000  1.0 1.0
   46    45    50    54   0.00000  1.0 1.0
   48    45   -50    52   0.00000  1.0 1.0
   48    45    50    54   0.00000  1.0 1.0
   48    52   -50    45   3.00000 -1.0 2.0
   48    52   -50    54   3.00000 -1.0 2.0
   48    56    63    64   3.04450 -1.0 2.0
   48    56    63    67   1.49850  1.0 1.0
   48    56    63    67   1.53950 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    50   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    63   0.00000  1.0 1.0
   52    48    56    57   0.00000  1.0 1.0
   52    48    56    63  -0.42300  1.0 1.0
   52    48    56    63  -0.07000 -1.0 2.0
   52    48    56    63   0.04150  1.0 3.0
   52    50    54    33   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    60   0.00000  1.0 1.0
   53    52   -50    45   3.00000 -1.0 2.0
   53    52    50    54   3.00000 -1.0 2.0
   50    45   -48    49   0.15000  1.0 3.0
   50    45   -48    52   3.00000 -1.0 2.0
   50    45    48    56   2.20050  1.0 1.0
   50    45    48    56   0.63450 -1.0 2.0
   50    45    48    56  -0.91300  1.0 3.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    62   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    43   0.44750  1.0 1.0
   54    33   -37    43  -0.17800 -1.0 2.0
   54    33   -37    43   0.20200  1.0 3.0
   54    33    40    41   0.15000  1.0 3.0
   54    33    40    42   0.15000  1.0 3.0
   54    33    40    44   0.44750  1.0 1.0
   54    33    40    44  -0.17800 -1.0 2.0
   54    33    40    44   0.20200  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   56    48    52    53   0.30150 -1.0 2.0
   56    48   -52    50   0.00000  1.0 1.0
   56    63    67    69   1.50000 -1.0 2.0
   56    63    67    70   1.50000 -1.0 2.0
   57    56    63    64   2.45000 -1.0 2.0
   57    56    63    67   2.56700 -1.0 2.0
   63    67    69    72   0.30050 -1.0 2.0
   63    67    69    72   0.16600  1.0 3.0
   63    67    69    85   0.30050 -1.0 2.0
   63    67    69    85   0.16600  1.0 3.0
   63    67    70    74   6.00000 -1.0 2.0
   64    63    67    69   1.00000 -1.0 2.0
   64    63    67    70   1.00000 -1.0 2.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69    72    79   3.62500 -1.0 2.0
   67    69    85    84   3.62500 -1.0 2.0
   67    70    74    80   1.50000 -1.0 2.0
   69    67    70    74   6.00000 -1.0 2.0
   69    72   -79    84   3.62500 -1.0 2.0
   72    69   -85    84   2.40000 -1.0 2.0
   72    79   -84    85   3.62500 -1.0 2.0
   72    79    84    86   3.62500 -1.0 2.0
   73    72    79    84   3.62500 -1.0 2.0
   79    84   -85    69   3.62500 -1.0 2.0
   79    84    86    87   0.47600 -1.0 2.0
   79    84    86    88   0.47600 -1.0 2.0
   85    69    72    73   3.62500 -1.0 2.0
   85    69   -72    79   3.62500 -1.0 2.0
   85    84    86    87   1.75000 -1.0 2.0
   85    84    86    88   1.75000 -1.0 2.0
   86    84    85    69   3.62500 -1.0 2.0
   70    67    69    72   1.02250 -1.0 2.0
   70    67    69    85   1.02250 -1.0 2.0
   70    74    80    81   0.37500  1.0 3.0
   70    74    80    82   0.37500  1.0 3.0
   70    74    80    83   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    54    50   0.42250  1.0 1.0
   40    33    54    50  -0.48100 -1.0 2.0
   40    33    54    50   0.35650  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    60  -0.84850  1.0 1.0
   40    33    54    60  -0.22800 -1.0 2.0
   40    33    54    60   0.29250  1.0 3.0
   40    44    47    51   2.00000 -1.0 2.0
   40    44    47    71   2.00000 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    51    58   6.00000 -1.0 2.0
   44    47    71    68   1.00000 -1.0 2.0
   44    47    71    75   1.00000 -1.0 2.0
   47    51    58    59   3.09300 -1.0 2.0
   47    51    58    65   1.50000 -1.0 2.0
   47    71    75    76   0.00000  1.0 1.0
   47    71    75    77   0.00000  1.0 1.0
   47    71    75    78   0.00000  1.0 1.0
   51    47    71    68   1.00000 -1.0 2.0
   51    47    71    75  -0.86000  1.0 1.0
   51    47    71    75   0.84650 -1.0 2.0
   51    58    65    66   1.50000 -1.0 2.0
   51    58   -65    68   1.50000 -1.0 2.0
   58    65    68    71   6.00000 -1.0 2.0
   59    58    65    66   1.00000 -1.0 2.0
   59    58    65    68   1.00000 -1.0 2.0
   65    68   -71    47   2.00000 -1.0 2.0
   65    68    71    75   2.00000 -1.0 2.0
   66    65    68    71   6.00000 -1.0 2.0
   68    71    75    76   0.00000  1.0 1.0
   68    71    75    77   0.00000  1.0 1.0
   68    71    75    78   0.00000  1.0 1.0
   71    47   -51    58   6.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   48    50    52    53  10.50000 -1.0 2.0
   54    52    50    45   1.00000 -1.0 2.0
   61    54    60    62  10.50000 -1.0 2.0
   57    63    56    48   1.00000 -1.0 2.0
   56    67    63    64  10.50000 -1.0 2.0
   63    69    67    70  10.50000 -1.0 2.0
   72    85    69    67   4.00000 -1.0 2.0
   79    73    72    69   1.10000 -1.0 2.0
   85    86    84    79   4.00000 -1.0 2.0
   88    84    86    87   1.00000 -1.0 2.0
   44    71    47    51  10.50000 -1.0 2.0
   51    65    58    59  10.50000 -1.0 2.0
   58    66    65    68  10.50000 -1.0 2.0
   75    47    71    68   1.00000 -1.0 2.0
END
