* LIGAND DATABASE FILE (OPLS2005)
*
001      87    91    158    252     449
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02148    86.64320   -74.43779
    3     1 S   H    _H1_     3     1.02076    93.69878    34.12321
    4     1 S   H    _H2_     4     1.02158    33.30667   153.22620
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C14    36     1.85638    97.26503  -158.14572
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.54901   108.81408    59.97627
   38    33 S   CT   _C16    71     1.54583   107.19207   178.34046
   39    38 S   HC   _H13    72     1.08671   109.23423   -57.88158
   40    38 S   HC   _H14    73     1.08640   109.30293  -176.57389
   41    37 S   N4   _N9_    38     1.36544   118.41520  -128.34143
   42    37 S   CMA  _C13    68     1.34888   121.93164    58.10829
   43    42 S   OM   _O36    69     1.38613   118.67527  -179.98022
   44    42 S   OM   _O37    70     1.38648   118.58953     0.02798
   45    38 S   N5P  _N10    74     1.44701   111.23285    62.74162
   46    41 S   C4   _C11    39     1.35550   137.40947  -162.33049
   47    46 S   O    _O35    40     1.20864   134.39877    -7.15574
   48    41 S   C4T  _C10    43     1.45008   126.03971    16.38661
   49    48 S   HC   _H4_    44     1.09606   113.04505    77.32532
   50    45 S   C5B  _C17    75     1.39019   126.29278   -75.66554
   51    50 S   HA   _H15    76     1.08129   120.70219     0.03956
   52    46 S   C4T  _C9_    41     1.55185    89.75715   168.81327
   53    52 S   HC   _H3_    42     1.09553   112.44052   123.17810
   54    48 S   S    _S2_    45     1.80660   109.79198   -52.10813
   55    50 S   C5A  _C18    77     1.38958   107.75127   179.93744
   56    55 S   HA   _H16    78     1.07933   128.87941  -179.97202
   57    33 S   CT   _C15    46     1.55668   105.28064   -66.48791
   58    57 S   HC   _H11    47     1.06996   109.26642   -82.80372
   59    57 S   HC   _H12    48     1.06680   111.61710    39.15139
   60    52 S   N    _N8_    49     1.46318   113.28166  -110.44521
   61    60 S   H    _H10    50     1.00683   116.93203    23.30106
   62    55 S   N56P _N11    79     1.37670   107.47968     0.08156
   63    60 S   C    _C8_    51     1.36626   122.10337  -157.37872
   64    63 S   O    _O34    52     1.22048   130.07219     0.01978
   65    45 S   C56P _C19    80     1.38360   127.79392   104.33121
   66    63 S   CD   _C5_    53     1.50656   111.79025   179.84174
   67    65 S   CAA  _C20    81     1.40018   129.61313     0.04846
   68    67 S   HA   _H17    82     1.08347   122.29964     0.03956
   69    66 S   CA5  _C6_    54     1.48827   118.86643    90.02844
   70    66 S   NI   _N4_    62     1.29864   120.29400   -90.34935
   71    67 S   CAB  _C21    83     1.39206   115.95205   179.96044
   72    71 S   HA   _H18    84     1.08551   120.36103   180.00000
   73    69 S   N5B  _N5_    55     1.38460   119.87754     0.00000
   74    70 S   OS   _O33    63     1.40154   111.73236     0.10468
   75    71 S   CAB  _C22    85     1.38192   119.08983     0.02798
   76    75 S   HA   _H19    86     1.08396   121.03293   180.00000
   77    73 S   CA5  _C7_    56     1.31515   107.40512  -179.96574
   78    74 S   CT   _C4_    64     1.41969   108.11989   179.93439
   79    78 S   HC   _H5_    65     1.09219   109.52502   180.00000
   80    78 S   HC   _H6_    66     1.09306   109.45783    59.17855
   81    78 S   HC   _H7_    67     1.09294   108.98527   -60.38529
   82    62 S   NAA  _N12    87     1.31428   125.51003   180.00000
   83    77 S   SA   _S1_    57     1.71626   112.71724    -0.04846
   84    77 S   NE   _N7_    59     1.35522   126.15990   180.00000
   85    84 S   H    _H8_    60     1.02814   121.85041    -3.13781
   86    84 S   H    _H9_    61     1.02799   121.86173  -176.84136
   87    69 S   N5B  _N6_    58     1.33266   119.29720   179.94405
  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  12   5   4   3
  17   2   1   1  17  15   5   4  12   5   1   1  11   9   4  10
   5   7   4   8   4   4   6   3   2   1   1   6   3   7   7   3
   6   8   6   3   7   7   4   3   6   4   2   1   5   3   2   1
   1   1   4   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    57    58    59    42    43    44    38    39    40    45    50    65  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    55    62    65    67    41    42    54    57    58    59  
   40    45    50    65    57  
   45    50    65    57  
   46    47    52    53    48    49    54    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    55    56    62    65    67    68    71    82    57  
   47    52    53    48    49    54    60    61    63  
   52    53    48    60  
   49    54    57    58    59    60    61    63    52    53  
   54    57    60    52    53  
   51    55    56    62    65    67    82  
   55    56    62    65  
   53    54    57    60    61    63    64    66  
   54    60    61    63  
   57    58    59    60  
   56    62    65    67    75    82  
   62    65    82  
   58    59  
   59  
    0  
   61    63    64    66    69    70  
   63    64    66  
   65    67    68    71    75    76    82  
   64    66    69    73    87    70    74  
   66    69    70  
   67    68    71    72    75    82  
   69    73    77    83    87    70    74    78  
   68    71    72    75    76    82  
   71    72    75  
   73    77    83    87    84    70    74  
   74    78    79    80    81    73    87  
   72    75    76    82  
   75    76    82  
   77    83    87    84    85    86  
   78    79    80    81  
   76    82  
   82  
   83    87    84    85    86  
   79    80    81  
   80    81  
   81  
    0  
    0  
   87    84    85    86  
   85    86    87  
   86  
    0  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.141100   1.9750   1.7500   0.001000000  -0.511443539
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.032500   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.241500   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.426400   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.308200   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.2500   0.1700   0.610400   1.8650   1.6500   0.001000000  -0.511443539
   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   3.5500   0.0700   0.238100   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0700  -0.135300   2.5000   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.219600   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.504400   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.5500   0.0700  -0.256200   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.230000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   74   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5500   0.0700   0.309500   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.145600   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.425300   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.2800   0.1700  -0.498900   1.8650   1.6500   0.001000000  -0.511443539
   83   3.5600   0.3950   0.119700   2.0080   1.7800   0.025682759  -1.666211680
   84   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   85   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   86   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.2500   0.1700  -0.365000   1.8000   1.6000   0.001000000  -0.511443539
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   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    60   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    63   490.000  1.335
   63    64   570.000  1.229
   63    66   270.000  1.486
   66    69   305.000  1.466
   66    70   500.000  1.261
   69    73   525.000  1.333
   69    87   525.000  1.333
   73    77   525.000  1.333
   77    83   255.000  1.769
   77    84   481.000  1.340
   83    87   260.000  1.695
   84    85   434.000  1.010
   84    86   434.000  1.010
   70    74   320.000  1.394
   74    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   300.000  1.456
   45    50   420.000  1.386
   45    65   515.000  1.335
   50    51   367.000  1.080
   50    55   520.000  1.370
   55    56   367.000  1.080
   55    62   427.000  1.381
   62    65   535.000  1.325
   62    82   400.000  1.349
   65    67   485.000  1.375
   67    68   385.000  1.085
   67    71   500.000  1.367
   71    72   385.000  1.085
   71    75   420.000  1.406
   75    76   385.000  1.085
   75    82   555.000  1.319
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  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    54    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.19500
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    63    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    57    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    53    50.00000  112.01000
   60    52    48    80.00000  110.05700
   60    63    64    80.00000  122.90000
   60    63    66    75.00000  109.57000
   63    60    61    35.00000  119.80000
   63    66    69    75.00000  114.44000
   63    66    70    65.00000  123.79500
   66    63    64    80.00000  120.45000
   66    69    73    60.00000  126.00000
   66    69    87    60.00000  126.00000
   66    70    74   100.00000  109.52600
   69    73    77    90.00000  108.12000
   69    87    83    95.00000  106.08000
   73    77    83    80.00000  117.16000
   73    77    84    70.00000  120.00000
   77    83    87   120.00000   95.04000
   77    84    85    35.00000  113.50000
   77    84    86    35.00000  113.50000
   87    69    73    85.00000  114.42000
   84    77    83    70.00000  123.00000
   86    84    85    35.00000  109.00000
   70    66    69    65.00000  124.33800
   70    74    78   110.00000  106.71400
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    65.00000  125.09000
   38    45    65    70.00000  114.00000
   40    38    39    33.00000  107.80000
   45    38    39    50.00000  107.70000
   45    38    40    50.00000  107.70000
   45    50    51    45.00000  117.61300
   45    50    55    85.00000  109.61400
   45    65    62    80.00000  116.60800
   45    65    67    65.00000  128.71400
   50    55    56    35.00000  130.70000
   50    55    62    70.00000  106.30000
   55    50    51    35.00000  128.20000
   55    62    65    80.00000  113.80000
   55    62    82    56.00000  113.10000
   62    55    56    35.00000  121.60000
   62    65    67    60.00000  128.22000
   62    82    75   110.00000  103.73000
   65    45    50    85.00000  110.55600
   65    67    68    40.00000  119.43200
   65    67    71    70.00000  116.43900
   67    71    72    40.00000  119.50000
   67    71    75    65.00000  119.42000
   71    67    68    40.00000  122.81700
   71    75    76    40.00000  119.95700
   71    75    82    65.00000  126.21000
   75    71    72    40.00000  119.95700
   82    62    65    75.00000  115.00000
   82    75    76    50.00000  116.56000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    54   0.56750  1.0 1.0
   29    33    57    54  -0.07550 -1.0 2.0
   29    33    57    54   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   1.10250  1.0 1.0
   33    38    45    50   0.01650 -1.0 2.0
   33    38    45    50   0.39100  1.0 3.0
   33    38    45    65   1.10250  1.0 1.0
   33    38    45    65   0.01650 -1.0 2.0
   33    38    45    65   0.39100  1.0 3.0
   37    33    57    54   0.56750  1.0 1.0
   37    33    57    54  -0.07550 -1.0 2.0
   37    33    57    54   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    48    54    57   0.01700  1.0 1.0
   41    48    54    57  -0.23550 -1.0 2.0
   41    48    54    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    63  -0.42300  1.0 1.0
   46    52    60    63  -0.07000 -1.0 2.0
   46    52    60    63   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   52    48    54    57   0.25150  1.0 1.0
   52    48    54    57  -1.17200 -1.0 2.0
   52    48    54    57   0.53050  1.0 3.0
   52    60    63    64   3.04450 -1.0 2.0
   52    60    63    66   1.49850  1.0 1.0
   52    60    63    66   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    63   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    63  -0.43950  1.0 1.0
   48    52    60    63  -0.08100 -1.0 2.0
   48    52    60    63   0.03350  1.0 3.0
   48    54   -57    33  -0.25000 -1.0 2.0
   48    54   -57    33  -0.01800  1.0 3.0
   48    54    57    58   0.32350  1.0 3.0
   48    54    57    59   0.32350  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45  -0.64600  1.0 1.0
   57    33    38    45   0.58400 -1.0 2.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    54   0.00000  1.0 1.0
   60    63    66    69   1.50000 -1.0 2.0
   60    63    66    70   1.50000 -1.0 2.0
   61    60    63    64   2.45000 -1.0 2.0
   61    60    63    66   2.56700 -1.0 2.0
   63    66    69    73   0.30050 -1.0 2.0
   63    66    69    73   0.16600  1.0 3.0
   63    66    69    87   0.30050 -1.0 2.0
   63    66    69    87   0.16600  1.0 3.0
   63    66    70    74   6.00000 -1.0 2.0
   64    63    66    69   1.00000 -1.0 2.0
   64    63    66    70   1.00000 -1.0 2.0
   66    69    73    77   3.62500 -1.0 2.0
   66    69    87    83   3.62500 -1.0 2.0
   66    70    74    78   1.50000 -1.0 2.0
   69    66    70    74   6.00000 -1.0 2.0
   69    73   -77    83   3.62500 -1.0 2.0
   69    73    77    84   3.62500 -1.0 2.0
   73    69   -87    83   3.62500 -1.0 2.0
   73    77   -83    87   3.62500 -1.0 2.0
   73    77    84    85   1.75000 -1.0 2.0
   73    77    84    86   1.75000 -1.0 2.0
   77    83   -87    69   3.62500 -1.0 2.0
   83    77    84    85   0.47600 -1.0 2.0
   83    77    84    86   0.47600 -1.0 2.0
   87    69   -73    77   3.62500 -1.0 2.0
   84    77    83    87   3.62500 -1.0 2.0
   70    66    69    73   1.02250 -1.0 2.0
   70    66    69    87   1.02250 -1.0 2.0
   70    74    78    79   0.37500  1.0 3.0
   70    74    78    80   0.37500  1.0 3.0
   70    74    78    81   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    54   0.44750  1.0 1.0
   38    33    57    54  -0.17800 -1.0 2.0
   38    33    57    54   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.62500 -1.0 2.0
   38    45    50    55   3.62500 -1.0 2.0
   38    45    65    62   3.62500 -1.0 2.0
   38    45    65    67   3.62500 -1.0 2.0
   39    38    45    50   0.00000  1.0 1.0
   39    38    45    65   0.00000  1.0 1.0
   40    38    45    50   0.00000  1.0 1.0
   40    38    45    65   0.00000  1.0 1.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50   -55    62   3.62500 -1.0 2.0
   45    65    67    68   3.62500 -1.0 2.0
   45    65    67    71   3.62500 -1.0 2.0
   50    45   -65    62   3.62500 -1.0 2.0
   50    45    65    67   3.62500 -1.0 2.0
   50    55   -62    65   3.62500 -1.0 2.0
   50    55    62    82   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    62   5.37500 -1.0 2.0
   55    62   -65    45   3.62500 -1.0 2.0
   55    62    65    67   3.62500 -1.0 2.0
   55    62    82    75   3.62500 -1.0 2.0
   56    55    62    65   3.62500 -1.0 2.0
   56    55    62    82   3.62500 -1.0 2.0
   62    65    67    68   3.62500 -1.0 2.0
   62    65    67    71   3.62500 -1.0 2.0
   65    45    50    51   3.62500 -1.0 2.0
   65    45   -50    55   3.62500 -1.0 2.0
   65    62    82    75   3.62500 -1.0 2.0
   65    67    71    72   3.62500 -1.0 2.0
   65    67   -71    75   3.62500 -1.0 2.0
   67    71    75    76   3.62500 -1.0 2.0
   67    71    75    82   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    75   3.62500 -1.0 2.0
   71    75   -82    62   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    82   3.62500 -1.0 2.0
   76    75    82    62   3.62500 -1.0 2.0
   82    62    65    45   3.62500 -1.0 2.0
   82    62   -65    67   3.62500 -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
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    63    60    52   1.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
   63    69    66    70  10.50000 -1.0 2.0
   73    87    69    66   4.00000 -1.0 2.0
   84    83    77    73   4.00000 -1.0 2.0
   86    77    84    85   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   50    65    45    38   4.00000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   65    82    62    55   4.00000 -1.0 2.0
   62    67    65    45   4.00000 -1.0 2.0
   71    68    67    65   1.10000 -1.0 2.0
   75    72    71    67   1.10000 -1.0 2.0
   82    76    75    71   1.10000 -1.0 2.0
END
