* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    168    264     492
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02116    45.82641  -133.67022
    3     1 S   H    _H1_     3     1.02060   104.98491   -32.02925
    4     1 S   H    _H2_     4     1.02068    66.92433    72.27258
    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     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   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   _C5_    36     1.83981    99.06462   180.00000
   34    33 S   HC   _H3_    37     1.09840   105.99323   -39.98784
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C6_    38     1.54597   112.93621    78.95704
   39    38 S   HC   _H4_    39     1.09741   109.14124   -74.71837
   40    33 S   OS   _O33    85     1.43264   109.72520  -158.08508
   41    38 S   CO4  _C24    40     1.52413   112.69202    42.67212
   42    41 S   O    _O34    41     1.22385   124.86180  -119.19158
   43    38 S   CT   _C7_    47     1.53473   112.62254   168.03748
   44    43 S   HC   _H5_    48     1.09819   106.26517   -66.77453
   45    40 S   CT   _C4_    86     1.42093   113.19478    75.86188
   46    45 S   HC   _H8_    87     1.09222   109.53169   180.00000
   47    45 S   HC   _H9_    88     1.09316   109.49282    59.23081
   48    45 S   HC   _H10    89     1.09266   109.01152   -60.30822
   49    41 S   OS   _O35    42     1.36613   109.55810    60.76786
   50    43 S   CT   _C8_    49     1.53897   111.06573    50.32745
   51    50 S   HC   _H11    50     1.09685   109.18721   -48.91055
   52    50 S   HC   _H12    51     1.09967   109.11139  -163.95871
   53    43 S   CT   _C21    78     1.54490   111.25019   174.28831
   54    53 S   HC   _H7_    79     1.09765   109.05465    43.82247
   55    49 S   CT   _C25    43     1.43066   115.60384   179.94065
   56    55 S   HC   _H27    44     1.09314   109.52123  -180.00000
   57    55 S   HC   _H28    45     1.09350   109.47859    59.24186
   58    55 S   HC   _H29    46     1.09220   109.00166   -60.34044
   59    50 S   CT   _C9_    52     1.53660   112.68584    74.13268
   60    59 S   HC   _H6_    53     1.09753   109.84823   -65.72388
   61    53 S   CM   _C22    80     1.50668   111.21607   160.59861
   62    61 S   HC   _H24    81     1.08683   117.14305    61.53840
   63    59 S   C5A  _C10    54     1.49677   112.29673   175.50604
   64    61 S   CM   _C23    82     1.33735   124.06075  -118.47736
   65    64 S   HC   _H25    83     1.08372   120.46502  -179.95577
   66    64 S   HC   _H26    84     1.08464   121.50327    -0.01978
   67    63 S   C5B  _C11    55     1.46348   123.48147  -142.51785
   68    63 S   NA   _N4_    66     1.28867   125.58645    42.39318
   69    68 S   H    _H17    67     1.01770   128.02415    -2.46132
   70    67 S   C56B _C12    56     1.44172   105.61060  -176.89795
   71    67 S   CT   _C18    68     1.46894   121.33847     3.90696
   72    71 S   HC   _H18    69     1.09556   109.13597   105.09911
   73    71 S   HC   _H19    70     1.09583   110.85627  -136.48680
   74    70 S   CA   _C13    57     1.37787   134.48285  -179.48224
   75    74 S   HA   _H13    58     1.08407   121.87608     0.20367
   76    71 S   CT   _C19    71     1.53959   110.06094   -15.22075
   77    76 S   HC   _H20    72     1.09722   107.19100   166.69942
   78    76 S   HC   _H21    73     1.09772   110.29293   -77.25045
   79    74 S   CA   _C14    59     1.39936   117.27451  -179.76097
   80    79 S   HA   _H14    60     1.08762   119.47810   179.95154
   81    59 S   NT   _N5_    74     1.48545   110.07518    55.70213
   82    79 S   CA   _C15    61     1.41207   121.29428     0.07402
   83    82 S   HA   _H15    62     1.08745   119.27869   179.92338
   84    81 S   CT   _C20    75     1.47194   110.81325   -60.42491
   85    84 S   HC   _H22    76     1.09748   110.36407   -62.06646
   86    84 S   HC   _H23    77     1.09894   109.63696  -178.86220
   87    82 S   CA   _C16    63     1.39768   121.11096    -0.04423
   88    87 S   HA   _H16    64     1.08404   120.85302  -179.95577
   89    70 S   C56A _C17    65     1.40857   104.44571     0.69125
  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
  15   6   2   1   1  17   8   6  10   3  17   8   3   2   1   1
   4  13   6   5  12   7   3   2   1   1  15   6   8   4  13   3
   1   1  15   9   3  12   9   5   4   7   4   6   3   2   6   3
   3   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    40    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    43    44    50    53    40    45    46    47    48  
   38    39    41    43    40    45  
   36    37  
   37  
    0  
   39    41    42    49    55    43    44    50    51    52    59    84    53    54    61    40    45  
   41    42    49    43    44    50    53    40  
   45    46    47    48    41    43  
   42    49    55    56    57    58    43    44    50    53  
   49    55    43  
   44    50    51    52    59    60    63    81    84    85    86    53    54    61    62    64    49  
   50    51    52    59    84    53    54    61  
   46    47    48  
   47    48  
   48  
    0  
   55    56    57    58  
   51    52    59    60    63    67    68    76    81    84    53    54    61  
   52    59    60    63    81    53  
   59    60    63    81    53  
   54    61    62    64    65    66    59    76    81    84    85    86  
   61    62    64    81    84    85    86  
   56    57    58  
   57    58  
   58  
    0  
   60    63    67    70    89    68    69    71    76    77    78    81    84    85    86  
   63    67    68    76    81    84  
   62    64    65    66    81    84    85    86  
   64    65    66    84  
   67    70    74    87    89    68    69    71    72    73    76    81    84  
   65    66    84  
   66  
    0  
   70    74    75    79    87    89    68    69    71    72    73    76    77    78    81  
   69    71    81    70    74    82    87    88    89  
   70    87    89  
   74    75    79    80    82    87    88    89    71    72    73    76  
   72    73    76    77    78    81    84    74    89  
   73    76    77    78    81  
   76    77    78    81  
   75    79    80    82    83    87    89  
   79    80    82    89  
   77    78    81    84    85    86  
   78    81    84  
   81    84  
   80    82    83    87    88    89  
   82    83    87  
   84    85    86  
   83    87    88    89  
   87    88    89  
   85    86  
   86  
    0  
   88    89  
   89  
    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   1.5900   1.4000   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   69   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   81   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   82   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    43   268.000  1.529
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    63   295.000  1.489
   59    81   382.000  1.448
   63    67   520.000  1.370
   63    68   427.000  1.381
   67    70   380.000  1.440
   67    71   295.000  1.494
   70    74   469.000  1.404
   70    89   447.000  1.419
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    82   469.000  1.400
   82    83   367.000  1.080
   82    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    68   428.000  1.380
   68    69   434.000  1.010
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   382.000  1.448
   81    84   382.000  1.448
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    53   268.000  1.529
   53    54   340.000  1.090
   53    61   317.000  1.510
   61    62   340.000  1.080
   61    64   549.000  1.340
   64    65   340.000  1.080
   64    66   340.000  1.080
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    63.00000  111.10000
   33    38    43    58.35000  112.70000
   33    40    45    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    49    81.00000  111.40000
   38    43    44    37.50000  110.70000
   38    43    50    58.35000  112.70000
   38    43    53    58.35000  112.70000
   41    38    39    35.00000  109.50000
   41    49    55    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    41    63.00000  111.10000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    59    58.35000  112.70000
   43    53    84    58.35000  112.70000
   43    53    54    37.50000  110.70000
   43    53    61    70.00000  112.02700
   50    43    44    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    63    70.00000  113.44400
   50    59    81    56.20000  109.47000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    63    67    55.00000  130.44200
   59    63    68    65.00000  122.56900
   59    81    76    51.80000  107.20000
   59    81    84    51.80000  107.20000
   63    59    60    45.00000  110.47400
   63    67    70    80.00000  105.82900
   63    67    71    55.00000  127.77900
   63    68    89    90.00000  107.14200
   63    68    69    35.00000  120.00000
   67    70    74    50.00000  134.85500
   67    70    89    80.00000  107.43600
   67    71    72    45.00000  111.11700
   67    71    73    45.00000  111.11700
   67    71    76    70.00000  112.62400
   70    74    75    35.00000  120.00000
   70    74    79    63.00000  120.00000
   70    89    87    85.00000  122.70000
   70    89    68    70.00000  104.40000
   74    79    80    35.00000  120.00000
   74    79    82    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    82    83    35.00000  120.00000
   79    82    87    63.00000  120.00000
   82    79    80    35.00000  120.00000
   82    87    88    35.00000  120.00000
   82    87    89    85.00000  120.00000
   87    82    83    35.00000  120.00000
   87    89    68    70.00000  132.80000
   89    70    74    85.00000  116.20000
   89    87    88    35.00000  120.00000
   89    68    69    35.00000  123.10000
   68    63    67    70.00000  106.30000
   71    67    70    55.00000  128.73000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    56.20000  109.47000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    84    51.80000  107.20000
   78    76    77    33.00000  107.80000
   81    59    60    35.00000  109.50000
   81    59    63    75.00000  112.58000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    53    56.20000  109.47000
   84    53    54    37.50000  110.70000
   84    53    61    70.00000  112.02700
   86    84    85    33.00000  107.80000
   53    43    44    37.50000  110.70000
   53    43    50    58.35000  112.70000
   53    84    85    37.50000  110.70000
   53    84    86    37.50000  110.70000
   53    61    62    35.00000  117.00000
   53    61    64    70.00000  124.00000
   61    53    54    35.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    66    35.00000  120.00000
   64    61    62    35.00000  120.00000
   66    64    65    35.00000  117.00000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    40    45   0.14700  1.0 1.0
   29    33    40    45  -1.16150 -1.0 2.0
   29    33    40    45   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    49   0.36750  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    38    43    53   0.56750  1.0 1.0
   33    38    43    53  -0.07550 -1.0 2.0
   33    38    43    53   0.20000  1.0 3.0
   33    40    45    46   0.37050  1.0 3.0
   33    40    45    47   0.37050  1.0 3.0
   33    40    45    48   0.37050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    40    45   0.37050  1.0 3.0
   38    33    40    45   0.06250  1.0 1.0
   38    33    40    45  -0.01100 -1.0 2.0
   38    33    40    45   0.28050  1.0 3.0
   38    41    49    55   1.63150  1.0 1.0
   38    41    49    55   2.92000 -1.0 2.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    59   0.56750  1.0 1.0
   38    43    50    59  -0.07550 -1.0 2.0
   38    43    50    59   0.20000  1.0 3.0
   38    43    53    84   0.56750  1.0 1.0
   38    43    53    84  -0.07550 -1.0 2.0
   38    43    53    84   0.20000  1.0 3.0
   38    43    53    54   0.15000  1.0 3.0
   38    43    53    61   0.34400  1.0 1.0
   38    43    53    61   0.09450 -1.0 2.0
   38    43    53    61   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    49   0.00000  1.0 1.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   39    38    43    53   0.15000  1.0 3.0
   41    38    43    44  -0.11250  1.0 3.0
   41    38    43    50  -0.95700  1.0 1.0
   41    38    43    50  -0.18200 -1.0 2.0
   41    38    43    50   0.29450  1.0 3.0
   41    38    43    53  -0.95700  1.0 1.0
   41    38    43    53  -0.18200 -1.0 2.0
   41    38    43    53   0.29450  1.0 3.0
   41    49    55    56   0.08050  1.0 3.0
   41    49    55    57   0.08050  1.0 3.0
   41    49    55    58   0.08050  1.0 3.0
   42    41    49    55   3.00000 -1.0 2.0
   43    38    41    42   0.30150 -1.0 2.0
   43    38    41    49   0.36750  1.0 3.0
   43    50    59    60   0.15000  1.0 3.0
   43    50    59    63  -0.03700  1.0 1.0
   43    50    59    63   0.37200 -1.0 2.0
   43    50    59    63  -0.47300  1.0 3.0
   43    50    59    81   1.53400  1.0 1.0
   43    50    59    81  -0.09950 -1.0 2.0
   43    50    59    81   0.05700  1.0 3.0
   43    53    61    62   0.00000  1.0 1.0
   43    53    61    64   0.09850  1.0 1.0
   43    53    61    64   0.15250 -1.0 2.0
   43    53    61    64  -0.50650  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    59   0.15000  1.0 3.0
   44    43    53    84   0.15000  1.0 3.0
   44    43    53    54   0.15000  1.0 3.0
   44    43    53    61   0.15000  1.0 3.0
   50    43    53    84   0.56750  1.0 1.0
   50    43    53    84  -0.07550 -1.0 2.0
   50    43    53    84   0.20000  1.0 3.0
   50    43    53    54   0.15000  1.0 3.0
   50    43    53    61   0.34400  1.0 1.0
   50    43    53    61   0.09450 -1.0 2.0
   50    43    53    61   0.11100  1.0 3.0
   50    59    63    67   0.04150 -1.0 2.0
   50    59    63    68   0.39850  1.0 1.0
   50    59    63    68   0.06450 -1.0 2.0
   50    59    63    68   0.32400  1.0 3.0
   50    59    81    76   0.23450  1.0 1.0
   50    59    81    76   0.02050 -1.0 2.0
   50    59    81    76   0.25250  1.0 3.0
   50    59   -81    84   0.23450  1.0 1.0
   50    59   -81    84   0.02050 -1.0 2.0
   50    59   -81    84   0.25250  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    63   0.43200  1.0 3.0
   51    50    59    81   0.15000  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    63   0.43200  1.0 3.0
   52    50    59    81   0.15000  1.0 3.0
   59    63    67    70   3.62500 -1.0 2.0
   59    63    67    71   3.62500 -1.0 2.0
   59    63    68    89   3.62500 -1.0 2.0
   59    63    68    69   2.00000 -1.0 2.0
   59    81    84    85   0.28000  1.0 3.0
   59    81    84    86   0.28000  1.0 3.0
   59    81    84    53   0.23450  1.0 1.0
   59    81    84    53   0.02050 -1.0 2.0
   59    81    84    53   0.25250  1.0 3.0
   60    59    63    67   0.00000  1.0 1.0
   60    59    63    68   0.00000  1.0 1.0
   60    59    81    76   0.28000  1.0 3.0
   60    59    81    84   0.28000  1.0 3.0
   63    59    81    76   0.82600  1.0 1.0
   63    59    81    76  -0.32100 -1.0 2.0
   63    59    81    76   1.02000  1.0 3.0
   63    59    81    84   0.82600  1.0 1.0
   63    59    81    84  -0.32100 -1.0 2.0
   63    59    81    84   1.02000  1.0 3.0
   63    67    70    74   3.62500 -1.0 2.0
   63    67   -70    89   3.50000 -1.0 2.0
   63    67    71    72   0.00000  1.0 1.0
   63    67    71    73   0.00000  1.0 1.0
   63    67   -71    76   0.04150 -1.0 2.0
   67    63   -68    89   3.62500 -1.0 2.0
   67    63    68    69   1.40000 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   67    70    74    79   3.62500 -1.0 2.0
   67    70    89    87   3.00000 -1.0 2.0
   67    70   -89    68   3.00000 -1.0 2.0
   67    71    76    77   0.43200  1.0 3.0
   67    71    76    78   0.43200  1.0 3.0
   67    71    76    81   0.83750  1.0 1.0
   67    71    76    81   0.32200 -1.0 2.0
   67    71    76    81   0.70600  1.0 3.0
   70    67    71    72   0.00000  1.0 1.0
   70    67    71    73   0.00000  1.0 1.0
   70    67    71    76   0.04150 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    82   3.62500 -1.0 2.0
   70    89   -68    63   3.62500 -1.0 2.0
   70    89    68    69   1.52500 -1.0 2.0
   74    70    89    87   3.00000 -1.0 2.0
   74    70    89    68   3.00000 -1.0 2.0
   74    79    82    83   3.62500 -1.0 2.0
   74    79   -82    87   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    82   3.62500 -1.0 2.0
   79    82    87    88   3.62500 -1.0 2.0
   79    82    87    89   3.62500 -1.0 2.0
   80    79    82    83   3.62500 -1.0 2.0
   80    79    82    87   3.62500 -1.0 2.0
   82    87   -89    70   3.62500 -1.0 2.0
   82    87    89    68   3.62500 -1.0 2.0
   83    82    87    88   3.62500 -1.0 2.0
   83    82    87    89   3.62500 -1.0 2.0
   87    89    68    63   3.62500 -1.0 2.0
   87    89    68    69   1.52500 -1.0 2.0
   88    87    89    70   3.62500 -1.0 2.0
   88    87    89    68   3.62500 -1.0 2.0
   89    70    74    75   3.50000 -1.0 2.0
   89    70   -74    79   3.50000 -1.0 2.0
   68    63   -67    70   3.62500 -1.0 2.0
   68    63    67    71   3.62500 -1.0 2.0
   71    67    70    74   3.62500 -1.0 2.0
   71    67    70    89   3.62500 -1.0 2.0
   71    76   -81    59   0.23450  1.0 1.0
   71    76   -81    59   0.02050 -1.0 2.0
   71    76   -81    59   0.25250  1.0 3.0
   71    76    81    84   0.23450  1.0 1.0
   71    76    81    84   0.02050 -1.0 2.0
   71    76    81    84   0.25250  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    81   0.15000  1.0 3.0
   76    81    84    85   0.28000  1.0 3.0
   76    81    84    86   0.28000  1.0 3.0
   76    81    84    53   0.23450  1.0 1.0
   76    81    84    53   0.02050 -1.0 2.0
   76    81    84    53   0.25250  1.0 3.0
   77    76    81    59   0.28000  1.0 3.0
   77    76    81    84   0.28000  1.0 3.0
   78    76    81    59   0.28000  1.0 3.0
   78    76    81    84   0.28000  1.0 3.0
   81    59   -63    67   0.18550 -1.0 2.0
   81    59   -63    67   0.14000  1.0 3.0
   81    59    63    68   0.04300 -1.0 2.0
   81    84   -53    43   1.53400  1.0 1.0
   81    84   -53    43  -0.09950 -1.0 2.0
   81    84   -53    43   0.05700  1.0 3.0
   81    84    53    54   0.15000  1.0 3.0
   81    84    53    61   0.59950  1.0 1.0
   81    84    53    61  -0.21400 -1.0 2.0
   81    84    53    61   0.56200  1.0 3.0
   84    53    61    62   0.00000  1.0 1.0
   84    53    61    64   0.09850  1.0 1.0
   84    53    61    64   0.15250 -1.0 2.0
   84    53    61    64  -0.50650  1.0 3.0
   85    84    53    43   0.15000  1.0 3.0
   85    84    53    54   0.15000  1.0 3.0
   85    84    53    61   0.15000  1.0 3.0
   86    84    53    43   0.15000  1.0 3.0
   86    84    53    54   0.15000  1.0 3.0
   86    84    53    61   0.15000  1.0 3.0
   53    43    50    51   0.15000  1.0 3.0
   53    43    50    52   0.15000  1.0 3.0
   53    43   -50    59   0.56750  1.0 1.0
   53    43   -50    59  -0.07550 -1.0 2.0
   53    43   -50    59   0.20000  1.0 3.0
   53    61    64    65   7.00000 -1.0 2.0
   53    61    64    66   7.00000 -1.0 2.0
   54    53    61    62   0.33100  1.0 3.0
   54    53    61    64   0.00000  1.0 1.0
   62    61    64    65   7.00000 -1.0 2.0
   62    61    64    66   7.00000 -1.0 2.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    43   0.62750  1.0 1.0
   40    33    38    43  -0.30950 -1.0 2.0
   40    33    38    43   0.27300  1.0 3.0
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
   38    49    41    42  10.50000 -1.0 2.0
   67    68    63    59   4.00000 -1.0 2.0
   70    71    67    63   4.00000 -1.0 2.0
   74    89    70    67   4.00000 -1.0 2.0
   79    75    74    70   1.10000 -1.0 2.0
   82    80    79    74   1.10000 -1.0 2.0
   87    83    82    79   1.10000 -1.0 2.0
   89    88    87    82   1.10000 -1.0 2.0
   87    68    89    70   4.00000 -1.0 2.0
   69    63    68    89   1.00000 -1.0 2.0
   53    62    61    64  15.00000 -1.0 2.0
   65    66    64    61  15.00000 -1.0 2.0
END
