* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    154    248     463
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02072    95.95030   -58.45520
    3     1 S   H    _H1_     3     1.02054    83.85955    49.85083
    4     1 S   H    _H2_     4     1.02112    34.25695  -173.16729
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C17    36     1.82618    98.21803  -178.15804
   34    33 S   HC   _H3_    37     1.09050   109.31810  -179.87805
   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   CM   _C16    38     1.49799   109.97259   -59.99291
   39    38 S   CM   _C15    39     1.34140   123.07355   118.74239
   40    38 S   OH   _O35    87     1.38448   115.09361   -61.95342
   41    40 S   HO   _H15    88     0.96184   109.67150     0.71162
   42    39 S   CM   _C14    40     1.45181   121.55807     1.77167
   43    39 S   OH   _O36    85     1.38211   120.38741  -176.96526
   44    43 S   HO   _H16    86     0.96274   109.81315    -1.25242
   45    42 S   CM   _C13    41     1.34418   122.30649    -1.48174
   46    42 S   OS1  _O37    62     1.38419   116.53604   176.21007
   47    33 S   CO4  _C18    42     1.52808   107.33801    64.28181
   48    47 S   O    _O34    43     1.23281   120.91745    59.93277
   49    45 S   CO4  _C12    44     1.47089   119.31293   179.65508
   50    49 S   O    _O33    45     1.22635   121.31806   -59.94540
   51    46 S   CO1  _C19    63     1.42692   114.85438    92.28539
   52    51 S   HC   _H4_    64     1.09746   107.41333    59.99322
   53    49 S   CM   _C11    46     1.48686   114.80455   120.00677
   54    53 S   HC   _H14    47     1.08457   117.89540     0.02798
   55    51 S   CT   _C20    65     1.52782   107.86174   179.64890
   56    55 S   HC   _H5_    66     1.09769   110.69692    51.38188
   57    53 S   CM   _C10    48     1.34087   119.78629   179.43837
   58    57 S   HC   _H13    49     1.08766   120.19867    -0.79402
   59    55 S   CT   _C21    67     1.52876   111.38577   173.92465
   60    59 S   HC   _H6_    68     1.09787   110.87555    74.77430
   61    55 S   OH5  _O42    83     1.42737   109.49462   -66.27046
   62    61 S   HO   _H22    84     0.96864   106.39955   -61.61849
   63    57 S   CA   _C9_    50     1.47375   124.62883  -179.60140
   64    59 S   CT   _C22    69     1.52904   111.19536   -48.54200
   65    64 S   HC   _H7_    70     1.09753   108.91847   -72.62832
   66    59 S   OH5  _O41    81     1.42819   109.22954  -168.27035
   67    66 S   HO   _H21    82     0.96873   106.30853    61.35845
   68    63 S   CA   _C4_    51     1.39498   120.03860   -20.00371
   69    68 S   HA   _H9_    52     1.08811   120.82148     0.01978
   70    64 S   CT   _C23    71     1.53027   110.79817    49.51243
   71    70 S   HC   _H8_    72     1.09771   110.53238    64.79304
   72    64 S   OH5  _O40    79     1.42537   108.02502   170.58307
   73    72 S   HO   _H20    80     0.96914   106.57465   -60.07116
   74    68 S   CA   _C5_    53     1.39452   120.04763   180.00000
   75    74 S   HA   _H10    54     1.08566   119.69866  -179.93147
   76    51 S   OS1  _O38    73     1.42630   109.80751   -59.83920
   77    70 S   CT   _C24    74     1.52572   112.22468  -175.06994
   78    77 S   HC   _H17    75     1.09029   109.97299    60.03579
   79    77 S   HC   _H18    76     1.08931   109.97848   -60.98258
   80    74 S   CA   _C6_    55     1.39504   119.97247     0.02798
   81    77 S   OH5  _O39    77     1.41665   108.55991   179.53354
   82    81 S   HO   _H19    78     0.97249   107.08429  -179.97202
   83    80 S   CA   _C7_    56     1.39536   120.03228     0.02798
   84    83 S   HA   _H11    57     1.08649   120.35143  -180.00000
   85    80 S   OH   _O43    60     1.36101   120.02208  -179.95577
   86    85 S   HO   _H23    61     0.97059   110.31052  -180.00000
   87    63 S   CA   _C8_    58     1.39504   119.98151   160.00895
   88    87 S   HA   _H12    59     1.08779   120.88704     0.02798
  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
  11   6   2   1   1  10  10   4   1  13   3   1   9  10   4   1
   6   3  13   6   6   3  12   7   8   3  13   7   4   1   9  12
   7   3   1   8   4   9   6   3   1   7   3   4   4   3   2   6
   1   1   5   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    47    48    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    47    48    49    43    40    41  
   38    39    45    47    48    40  
   36    37  
   37  
    0  
   39    42    45    47    48    46    43    44    40    41  
   42    45    47    49    46    51    43    44    40    41  
   41    42    43    47  
    0  
   45    47    48    49    50    53    46    51    52    55    76    43    44  
   44    45    46  
    0  
   47    48    49    50    53    54    57    46    51  
   51    52    55    56    59    70    76    61    47    49  
   48    49    50    53  
   49  
   50    53    54    57    58    63  
   53    54    57  
   52    55    56    59    60    64    70    71    76    77    66    61    62  
   55    56    59    70    76    61  
   54    57    58    63    68    87  
   57    58    63  
   56    59    60    64    65    70    76    72    66    67    61    62  
   59    60    64    76    66    61    62  
   58    63    68    69    74    83    87    88  
   63    68    87  
   60    64    65    70    71    76    77    72    73    66    67    61    62  
   64    65    70    72    66    67    61  
   62    64    66    76  
    0  
   68    69    74    75    80    83    84    87    88  
   65    70    71    76    77    78    79    81    72    73    66    67  
   70    71    76    77    72    73    66  
   67    70    72  
    0  
   69    74    75    80    83    87    88    85  
   74    75    80    87  
   71    76    77    78    79    81    82    72    73  
   76    77    78    79    81    72  
   73    76    77  
    0  
   75    80    83    84    87    85    86  
   80    83    85  
   77    78    79    81  
   78    79    81    82  
   79    81    82  
   81    82  
   83    84    87    88    85    86  
   82  
    0  
   84    87    88    85    86  
   87    88    85  
   86    87  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   317.000  1.510
   33    47   317.000  1.522
   38    39   549.000  1.340
   38    40   510.000  1.338
   39    42   380.000  1.444
   39    43   510.000  1.338
   42    45   549.000  1.340
   42    46   440.000  1.360
   45    47   320.000  1.462
   45    49   320.000  1.462
   47    48   570.000  1.229
   49    50   570.000  1.229
   49    53   320.000  1.462
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    63   320.000  1.460
   63    68   469.000  1.400
   63    87   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    80   469.000  1.400
   80    83   469.000  1.400
   80    85   450.000  1.364
   83    84   367.000  1.080
   83    87   469.000  1.400
   87    88   367.000  1.080
   85    86   553.000  0.945
   46    51   370.000  1.399
   51    52   360.000  1.097
   51    55   255.000  1.525
   51    76   370.000  1.399
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    66   355.000  1.421
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    72   355.000  1.421
   70    71   340.000  1.090
   70    76   335.000  1.422
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    81   355.000  1.421
   81    82   580.000  0.967
   72    73   580.000  0.967
   66    67   580.000  0.967
   61    62   580.000  0.967
   43    44   553.000  0.945
   40    41   553.000  0.945
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  112.20000
   29    33    47    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    40    90.00000  109.34000
   33    47    45    65.00000  118.62400
   33    47    48    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    42    70.00000  123.01800
   38    39    43    80.00000  121.38400
   38    40    41    70.00000  107.45700
   39    42    45    70.00000  123.01800
   39    42    46    80.00000  120.01400
   39    43    44    70.00000  107.45700
   42    45    47    65.00000  118.96000
   42    45    49    65.00000  118.96000
   42    46    51    90.00000  111.18400
   45    47    48    80.00000  123.72100
   45    49    50    80.00000  123.72100
   45    49    53    65.00000  118.65900
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  109.06800
   49    45    47    65.00000  115.30000
   49    53    54    40.00000  117.72500
   49    53    57    65.00000  118.96000
   53    49    50    80.00000  123.72100
   53    57    58    35.00000  120.00000
   53    57    63    60.00000  123.20500
   57    53    54    35.00000  120.00000
   57    63    68    60.00000  120.93500
   57    63    87    60.00000  120.93500
   63    57    58    40.00000  117.26300
   63    68    69    35.00000  120.00000
   63    68    74    63.00000  120.00000
   63    87    83    63.00000  120.00000
   63    87    88    35.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    80    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    80    83    63.00000  120.00000
   74    80    85    70.00000  120.00000
   80    74    75    35.00000  120.00000
   80    83    84    35.00000  120.00000
   80    83    87    63.00000  120.00000
   80    85    86    35.00000  113.00000
   83    87    88    35.00000  120.00000
   87    63    68    63.00000  120.00000
   87    83    84    35.00000  120.00000
   85    80    83    70.00000  120.00000
   46    42    45    80.00000  120.01400
   46    51    52    60.00000  105.75400
   46    51    55    90.00000  109.70700
   46    51    76   110.00000  113.16000
   51    55    56    45.00000  109.54000
   51    55    59    70.00000  111.10000
   51    55    61    90.00000  109.42000
   51    76    70    90.00000  112.10700
   55    51    52    45.00000  111.65000
   55    59    60    37.50000  110.70000
   55    59    64    58.35000  112.70000
   55    59    66    90.00000  111.45300
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    70    58.35000  112.70000
   59    64    72    90.00000  111.45300
   59    66    67    65.00000  108.53500
   64    59    60    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    76    95.00000  107.88500
   64    70    77    58.35000  112.70000
   64    72    73    65.00000  108.53500
   70    64    65    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    81    90.00000  111.45300
   76    51    52    60.00000  105.75400
   76    51    55    90.00000  109.70700
   76    70    71    55.00000  108.98800
   77    70    71    37.50000  110.70000
   77    70    76    95.00000  107.88500
   77    81    82    65.00000  108.53500
   79    77    78    33.00000  107.80000
   81    77    78    60.00000  109.39000
   81    77    79    60.00000  109.39000
   72    64    65    60.00000  109.39000
   72    64    70    90.00000  111.45300
   66    59    60    60.00000  109.39000
   66    59    64    90.00000  111.45300
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   43    39    42    80.00000  121.38400
   40    38    39    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    47    45   0.65300  1.0 1.0
   29    33    47    45  -0.03850 -1.0 2.0
   29    33    47    45   0.33900  1.0 3.0
   29    33    47    48   0.30150 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    40    41   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.00000  1.0 1.0
   34    33    47    48   0.00000  1.0 1.0
   38    33    47    45   0.65300  1.0 1.0
   38    33    47    45  -0.03850 -1.0 2.0
   38    33    47    45   0.33900  1.0 3.0
   38    33    47    48   0.30150 -1.0 2.0
   38    39   -42    45   0.28850  1.0 1.0
   38    39   -42    45   2.61350 -1.0 2.0
   38    39   -42    45   0.78400  1.0 3.0
   38    39    42    46  -0.51250  1.0 1.0
   38    39    42    46   1.23350 -1.0 2.0
   38    39    43    44  -0.66100  1.0 1.0
   38    39    43    44   1.20850 -1.0 2.0
   38    39    43    44  -0.36000  1.0 3.0
   39    38    40    41  -0.66100  1.0 1.0
   39    38    40    41   1.20850 -1.0 2.0
   39    38    40    41  -0.36000  1.0 3.0
   39    42    45    47   7.00000 -1.0 2.0
   39    42    45    49   7.00000 -1.0 2.0
   39    42    46    51  -2.26850  1.0 1.0
   39    42    46    51   3.39050 -1.0 2.0
   42    39    43    44  -0.66100  1.0 1.0
   42    39    43    44   1.20850 -1.0 2.0
   42    39    43    44  -0.36000  1.0 3.0
   42    45   -47    33  -0.33500  1.0 1.0
   42    45   -47    33   1.06600 -1.0 2.0
   42    45   -47    33  -0.14000  1.0 3.0
   42    45    47    48   1.00000 -1.0 2.0
   42    45    49    50   1.00000 -1.0 2.0
   42    45    49    53  -1.18350  1.0 1.0
   42    45    49    53   1.45950 -1.0 2.0
   42    46    51    52   0.08050  1.0 3.0
   42    46    51    55  -0.46850  1.0 1.0
   42    46    51    55   0.09300 -1.0 2.0
   42    46    51    55  -0.12850  1.0 3.0
   42    46    51    76  -0.48150  1.0 1.0
   42    46    51    76   0.09250 -1.0 2.0
   42    46    51    76  -0.12850  1.0 3.0
   45    42    46    51  -2.26850  1.0 1.0
   45    42    46    51   3.39050 -1.0 2.0
   45    49    53    54   0.93700 -1.0 2.0
   45    49    53    57  -1.18350  1.0 1.0
   45    49    53    57   1.45950 -1.0 2.0
   47    33   -38    39  -0.51250  1.0 1.0
   47    33   -38    39  -0.88800 -1.0 2.0
   47    33   -38    39   0.08850  1.0 3.0
   47    33    38    40   0.09700  1.0 1.0
   47    33    38    40   0.15600 -1.0 2.0
   47    33    38    40  -0.50800  1.0 3.0
   47    45    49    50   2.50000 -1.0 2.0
   47    45    49    53   1.50000 -1.0 2.0
   49    45    47    33   1.50000 -1.0 2.0
   49    45    47    48   2.50000 -1.0 2.0
   49    53    57    58   7.00000 -1.0 2.0
   49    53    57    63   7.00000 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    57   1.00000 -1.0 2.0
   53    57    63    68   0.15800  1.0 1.0
   53    57    63    68   1.85350 -1.0 2.0
   53    57    63    68  -0.48700  1.0 3.0
   53    57    63    87   0.15800  1.0 1.0
   53    57    63    87   1.85350 -1.0 2.0
   53    57    63    87  -0.48700  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    63   7.00000 -1.0 2.0
   57    63    68    69   3.62500 -1.0 2.0
   57    63    68    74   3.62500 -1.0 2.0
   57    63    87    83   3.62500 -1.0 2.0
   57    63    87    88   3.62500 -1.0 2.0
   58    57    63    68   0.56550  1.0 3.0
   58    57    63    87   0.56550  1.0 3.0
   63    68    74    75   3.62500 -1.0 2.0
   63    68    74    80   3.62500 -1.0 2.0
   68    63    87    83   3.62500 -1.0 2.0
   68    63    87    88   3.62500 -1.0 2.0
   68    74   -80    83   3.62500 -1.0 2.0
   68    74    80    85   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    80   3.62500 -1.0 2.0
   74    80    83    84   3.62500 -1.0 2.0
   74    80    83    87   3.62500 -1.0 2.0
   74    80    85    86   0.84100 -1.0 2.0
   75    74    80    83   3.62500 -1.0 2.0
   75    74    80    85   3.62500 -1.0 2.0
   80    83   -87    63   3.62500 -1.0 2.0
   80    83    87    88   3.62500 -1.0 2.0
   83    80    85    86   0.84100 -1.0 2.0
   84    83    87    63   3.62500 -1.0 2.0
   84    83    87    88   3.62500 -1.0 2.0
   87    63    68    69   3.62500 -1.0 2.0
   87    63   -68    74   3.62500 -1.0 2.0
   85    80    83    84   3.62500 -1.0 2.0
   85    80    83    87   3.62500 -1.0 2.0
   46    42    45    47   7.00000 -1.0 2.0
   46    42    45    49   7.00000 -1.0 2.0
   46    51    55    56   0.23400  1.0 3.0
   46    51    55    59   0.62750  1.0 1.0
   46    51    55    59  -0.30950 -1.0 2.0
   46    51    55    59   0.27300  1.0 3.0
   46    51    55    61   1.51850  1.0 1.0
   46    51    76    70  -0.70400  1.0 1.0
   46    51    76    70  -0.90350 -1.0 2.0
   51    55    59    60   0.15000  1.0 3.0
   51    55    59    64   0.56750  1.0 1.0
   51    55    59    64  -0.07550 -1.0 2.0
   51    55    59    64   0.20000  1.0 3.0
   51    55    59    66  -0.47750  1.0 1.0
   51    55    61    62   0.29150  1.0 1.0
   51    55    61    62  -0.28350 -1.0 2.0
   51    55    61    62   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.23400  1.0 3.0
   52    51    76    70   0.37050  1.0 3.0
   55    51    76    70   0.06250  1.0 1.0
   55    51    76    70  -0.01100 -1.0 2.0
   55    51    76    70   0.28050  1.0 3.0
   55    59    64    65   0.15000  1.0 3.0
   55    59   -64    70   0.56750  1.0 1.0
   55    59   -64    70  -0.07550 -1.0 2.0
   55    59   -64    70   0.20000  1.0 3.0
   55    59    64    72  -0.47750  1.0 1.0
   55    59    66    67   0.29150  1.0 1.0
   55    59    66    67  -0.28350 -1.0 2.0
   55    59    66    67   0.43600  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   56    55    59    66   0.23400  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    64    70    71   0.15000  1.0 3.0
   59    64    70    76   0.62750  1.0 1.0
   59    64    70    76  -0.30950 -1.0 2.0
   59    64    70    76   0.27300  1.0 3.0
   59    64    70    77   0.56750  1.0 1.0
   59    64    70    77  -0.07550 -1.0 2.0
   59    64    70    77   0.20000  1.0 3.0
   59    64    72    73   0.29150  1.0 1.0
   59    64    72    73  -0.28350 -1.0 2.0
   59    64    72    73   0.43600  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    70   0.15000  1.0 3.0
   60    59    64    72   0.23400  1.0 3.0
   60    59    66    67   0.19450  1.0 3.0
   64    59    66    67   0.29150  1.0 1.0
   64    59    66    67  -0.28350 -1.0 2.0
   64    59    66    67   0.43600  1.0 3.0
   64    70   -76    51   0.06250  1.0 1.0
   64    70   -76    51  -0.01100 -1.0 2.0
   64    70   -76    51   0.28050  1.0 3.0
   64    70    77    78   0.15000  1.0 3.0
   64    70    77    79   0.15000  1.0 3.0
   64    70    77    81  -0.47750  1.0 1.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    76   0.23400  1.0 3.0
   65    64    70    77   0.15000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   70    64    72    73   0.29150  1.0 1.0
   70    64    72    73  -0.28350 -1.0 2.0
   70    64    72    73   0.43600  1.0 3.0
   70    77    81    82   0.29150  1.0 1.0
   70    77    81    82  -0.28350 -1.0 2.0
   70    77    81    82   0.43600  1.0 3.0
   71    70    76    51   0.37050  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    81   0.23400  1.0 3.0
   76    51    55    56   0.23400  1.0 3.0
   76    51   -55    59   0.62750  1.0 1.0
   76    51   -55    59  -0.30950 -1.0 2.0
   76    51   -55    59   0.27300  1.0 3.0
   76    51    55    61   1.51850  1.0 1.0
   76    70    77    78   0.23400  1.0 3.0
   76    70    77    79   0.23400  1.0 3.0
   76    70    77    81   1.51850  1.0 1.0
   77    70    76    51   0.06250  1.0 1.0
   77    70    76    51  -0.01100 -1.0 2.0
   77    70    76    51   0.28050  1.0 3.0
   78    77    81    82   0.19450  1.0 3.0
   79    77    81    82   0.19450  1.0 3.0
   72    64    70    71   0.23400  1.0 3.0
   72    64    70    76   1.51850  1.0 1.0
   72    64    70    77  -0.47750  1.0 1.0
   66    59    64    65   0.23400  1.0 3.0
   66    59    64    70  -0.47750  1.0 1.0
   66    59    64    72   3.77950  1.0 1.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    64  -0.47750  1.0 1.0
   61    55    59    66   3.77950  1.0 1.0
   43    39    42    45   0.50950  1.0 1.0
   43    39    42    45   0.56650 -1.0 2.0
   43    39    42    45   0.34050  1.0 3.0
   43    39    42    46   1.08500 -1.0 2.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    43   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   42    43    39    38   1.10000 -1.0 2.0
   39    46    42    45   1.10000 -1.0 2.0
   47    49    45    42   1.10000 -1.0 2.0
   33    45    47    48  10.50000 -1.0 2.0
   45    53    49    50  10.50000 -1.0 2.0
   49    54    53    57  15.00000 -1.0 2.0
   63    58    57    53  15.00000 -1.0 2.0
   68    87    63    57   4.00000 -1.0 2.0
   74    69    68    63   1.10000 -1.0 2.0
   80    75    74    68   1.10000 -1.0 2.0
   83    85    80    74   4.00000 -1.0 2.0
   87    84    83    80   1.10000 -1.0 2.0
   83    88    87    63   1.10000 -1.0 2.0
END
