* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    240     442
    1     0 S   NP   _N1_     1    28.64922    96.95567   -22.90176
    2     1 S   H    _HN1     2     1.02786   101.68581   -90.32784
    3     1 S   H    _H1_     3     1.02949    69.50840    15.10967
    4     1 S   H    _H2_     4     1.02829    42.46190   165.87131
    5     1 S   CT   _CA1     5     1.50110   143.36178   112.07821
    6     5 S   HC   _HA1     6     1.09572   105.19887    94.87460
    7     5 S   CO3  _C1_     7     1.53789   112.46919   -25.37520
    8     7 S   O2Z  _O11     8     1.26373   115.00437   -42.35269
    9     7 S   O2Z  _O12     9     1.26239   114.95191   136.79797
   10     5 S   CT   _CB1    10     1.53082   107.42518  -147.12332
   11    10 S   HC   HB11    11     1.09833   109.38626   -49.59972
   12    10 S   HC   HB12    12     1.09813   110.44100    67.01240
   13    10 S   CT   _CG1    13     1.52992   112.60361  -170.56991
   14    13 S   HC   HG11    14     1.09580   110.64022   -65.55711
   15    13 S   HC   HG12    15     1.09670   109.77788    53.67453
   16    13 S   C    _CD1    16     1.51800   112.22085   174.14904
   17    16 S   O    _OE1    17     1.22731   123.28043     7.32933
   18    16 S   N    _N2_    18     1.38652   111.67305  -172.80898
   19    18 S   H    _HN2    19     1.01580   118.94628     1.75335
   20    18 S   CT1  _CA2    20     1.46200   123.39592   177.48682
   21    20 S   HC   _HA2    21     1.09739   109.36023     2.96709
   22    20 S   C    _C2_    22     1.53572   108.69839  -112.51703
   23    22 S   O    _O2_    23     1.23066   122.26614  -148.53209
   24    20 S   CT   _CB2    32     1.53365   111.58383   124.98529
   25    24 S   HC   HB21    33     1.09390   109.81959    56.04678
   26    24 S   HC   HB22    34     1.09475   109.94643   175.00170
   27    22 S   N    _N3_    24     1.38323   113.74168    38.93585
   28    27 S   H    _HN3    25     1.01580   119.58971    -3.32967
   29    24 S   S    _SG2    35     1.82645   111.40105   -64.94083
   30    27 S   CT   _CA3    26     1.45282   123.21219   177.13283
   31    30 S   HC   HA31    27     1.09550   107.50861   -64.64163
   32    30 S   HC   HA32    28     1.09558   107.98791    51.79677
   33    29 S   CT   _C12    36     1.83547   100.11290  -170.74343
   34    33 S   HC   _H8_    37     1.09542   109.62635    29.72964
   35    30 S   CO3  _C3_    29     1.52960   114.08322   173.79739
   36    35 S   O2Z  _O31    30     1.26377   116.07688    -0.61707
   37    35 S   O2Z  _O32    31     1.26431   114.40896   179.44433
   38    33 S   CT   _C13    38     1.55374   112.94533   -92.78643
   39    38 S   Cl   Cl1_    39     1.78378   111.24586    84.35467
   40    38 S   HC   _H9_    40     1.09706   110.27959   -32.34236
   41    38 S   CT   _C14    41     1.56815   106.13946  -150.31464
   42    41 S   CT   _C10    42     1.54818   103.95420     1.74327
   43    42 S   HC   _H7_    43     1.09964   106.86446   -88.90544
   44    41 S   CT   _C15    71     1.53003   117.04787  -121.20369
   45    44 S   HC   _H15    72     1.09586   111.15953   -61.59170
   46    44 S   HC   _H16    73     1.09544   110.83355  -178.71976
   47    44 S   HC   _H17    74     1.09460   112.13991    60.56138
   48    41 S   OH   _O33    75     1.43203   108.09177   118.44433
   49    48 S   HO   _H18    76     0.97272   107.96337    64.97682
   50    42 S   CT   _C9_    44     1.52419   118.22851   148.36981
   51    50 S   HC   _H6_    45     1.10029   109.92761   -58.02091
   52    50 S   CT   _C8_    46     1.52000   108.49229   179.60933
   53    52 S   HC   _H5_    47     1.09981   110.26934   -56.47860
   54    52 S   CM   _C17    48     1.48280    97.48387  -166.49853
   55    52 S   CT   _C7_    55     1.52588   110.66015    63.90515
   56    55 S   HC   _H13    56     1.09819   109.72924    59.02861
   57    55 S   HC   _H14    57     1.09422   110.91529   174.77265
   58    54 S   CO4  _C16    49     1.49058   105.97403    33.43198
   59    58 S   O    _O36    50     1.21701   127.09686   164.73771
   60    54 S   CM   _C18    52     1.33353   130.65718  -144.93149
   61    60 S   HC   _H20    53     1.08457   121.02786    -1.04117
   62    60 S   HC   _H21    54     1.08513   121.45628   179.04019
   63    55 S   CT   _C6_    58     1.56647   110.36116   -61.35134
   64    63 S   HC   _H4_    59     1.09957   106.23006   169.99486
   65    50 S   OS   _O35    51     1.42718   116.01351    63.31916
   66    33 S   CT   _C11    60     1.54265   111.95338   151.71168
   67    63 S   CT   _C5_    63     1.55345   113.07704   -72.74037
   68    67 S   HC   _H3_    64     1.09420   110.82839    77.10739
   69    66 S   OH   _O34    61     1.44268   108.53208    53.49391
   70    69 S   HO   _H19    62     0.97370   107.12268   -60.04836
   71    67 S   CT   _C4_    65     1.52674   114.36243   -46.30736
   72    71 S   HC   _H10    66     1.09545   110.88254   -52.60930
   73    71 S   HC   _H11    67     1.09590   110.60302  -170.62701
   74    71 S   HC   _H12    68     1.09333   111.96567    69.43659
   75    67 S   OH   _O37    69     1.42855   108.54629  -165.28278
   76    75 S   HO   _H22    70     0.97263   107.86064  -176.16799
  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  10   5   4   3
  17   8   2   1   1  15   6   5  15  21   9   7   3   2   1   3
   1  14   7  15   8  10  13   5   4   5   2   3   1   1  12   6
   1   6   8   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    66    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    63    66    69  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    50    55    63    64    66    69    70    67    44    48  
   38    39    40    41    42    63    66    69  
   36    37  
   37  
    0  
   39    40    41    42    43    50    63    66    69    44    45    46    47    48    49  
   40    41    42    66    44    48  
   41    42    66    44    48  
   42    43    50    51    52    65    63    66    69    44    45    46    47    48    49  
   43    50    51    52    53    54    58    65    55    63    64    66    69    70    67    44    45    46    47    48    49  
   50    51    52    65    63    66    69    44    48  
   45    46    47    48    49    50    66  
   46    47    48  
   47    48  
   48  
   49    50    66  
    0  
   51    52    53    54    58    59    65    60    55    56    57    63    66    69  
   52    53    54    58    65    55    66  
   53    54    58    59    65    60    61    62    55    56    57    63    64    66    67  
   54    58    65    60    55    56    57    63  
   58    59    65    60    61    62    55    56    57    63  
   56    57    63    64    66    69    67    68    71    75    58    60    65  
   57    63    64    66    67  
   63    64    66    67  
   59    65    60    61    62  
   65    60  
   61    62    65  
   62  
    0  
   64    66    69    70    67    68    71    72    73    74    75    76  
   66    69    67    68    71    75  
   66  
   69    70    67    68    71    75  
   68    71    72    73    74    75    76    69  
   71    72    73    74    75    76  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75  
   76  
    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   2.5000   0.0300   0.060000   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   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    66   268.000  1.529
   38    39   245.000  1.781
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   42    43   340.000  1.090
   42    50   268.000  1.529
   42    66   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    65   320.000  1.410
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    55   268.000  1.529
   54    58   320.000  1.462
   54    60   549.000  1.340
   58    59   570.000  1.229
   58    65   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    67   268.000  1.529
   66    69   320.000  1.410
   69    70   553.000  0.945
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    75   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   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  111.63000
   29    33    66    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    66    42    58.35000  112.70000
   33    66    63    58.35000  112.70000
   33    66    69    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    48    50.00000  109.50000
   40    38    39    51.00000  107.60000
   41    38    39    69.00000  109.80000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    50    58.35000  112.70000
   41    42    66    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   42    50    51    37.50000  110.70000
   42    50    52    58.35000  112.70000
   42    50    65    50.00000  109.50000
   42    66    63    58.35000  112.70000
   42    66    69    50.00000  109.50000
   50    42    43    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    70.00000  112.02700
   50    52    55    58.35000  112.70000
   50    65    58    83.00000  116.90000
   52    50    51    37.50000  110.70000
   52    54    58    65.00000  116.34900
   52    54    60    70.00000  124.00000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    58    59    80.00000  123.72100
   54    58    65    90.00000  111.29400
   54    60    61    35.00000  120.00000
   54    60    62    35.00000  120.00000
   65    50    51    35.00000  109.50000
   65    50    52    50.00000  109.50000
   65    58    59    83.00000  123.40000
   60    54    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   55    52    53    37.50000  110.70000
   55    52    54    70.00000  112.02700
   55    63    64    37.50000  110.70000
   55    63    66    58.35000  112.70000
   55    63    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    66    69    50.00000  109.50000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    75    50.00000  109.50000
   66    33    34    37.50000  110.70000
   66    33    38    58.35000  112.70000
   66    42    43    37.50000  110.70000
   66    42    50    58.35000  112.70000
   66    63    64    37.50000  110.70000
   66    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    63    66    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   67    75    76    55.00000  108.50000
   71    67    68    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    67    68    35.00000  109.50000
   75    67    71    50.00000  109.50000
   44    41    42    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    50.00000  109.50000
   48    41    44    50.00000  109.50000
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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    66    42   0.44750  1.0 1.0
   29    33    66    42  -0.17800 -1.0 2.0
   29    33    66    42   0.20200  1.0 3.0
   29    33    66    63   0.44750  1.0 1.0
   29    33    66    63  -0.17800 -1.0 2.0
   29    33    66    63   0.20200  1.0 3.0
   29    33    66    69   0.56750  1.0 1.0
   29    33    66    69  -0.07550 -1.0 2.0
   29    33    66    69   0.20000  1.0 3.0
   33    38   -41    42   0.56750  1.0 1.0
   33    38   -41    42  -0.07550 -1.0 2.0
   33    38   -41    42   0.20000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    38    41    48   0.86500  1.0 1.0
   33    38    41    48  -0.17500 -1.0 2.0
   33    38    41    48   0.20800  1.0 3.0
   33    66    69    70  -0.11600  1.0 1.0
   33    66    69    70  -0.09450 -1.0 2.0
   33    66    69    70   0.21250  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    66    42   0.15000  1.0 3.0
   34    33    66    63   0.15000  1.0 3.0
   34    33    66    69   0.23400  1.0 3.0
   38    33   -66    42   0.56750  1.0 1.0
   38    33   -66    42  -0.07550 -1.0 2.0
   38    33   -66    42   0.20000  1.0 3.0
   38    33    66    63   0.56750  1.0 1.0
   38    33    66    63  -0.07550 -1.0 2.0
   38    33    66    63   0.20000  1.0 3.0
   38    33    66    69   0.86500  1.0 1.0
   38    33    66    69  -0.17500 -1.0 2.0
   38    33    66    69   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    50   0.56750  1.0 1.0
   38    41    42    50  -0.07550 -1.0 2.0
   38    41    42    50   0.20000  1.0 3.0
   38    41   -42    66   0.56750  1.0 1.0
   38    41   -42    66  -0.07550 -1.0 2.0
   38    41   -42    66   0.20000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   38    41    48    49  -0.11600  1.0 1.0
   38    41    48    49  -0.09450 -1.0 2.0
   38    41    48    49   0.21250  1.0 3.0
   39    38    41    42   0.35600  1.0 1.0
   39    38    41    42  -0.14650 -1.0 2.0
   39    38    41    42   0.33350  1.0 3.0
   39    38    41    44   0.35600  1.0 1.0
   39    38    41    44  -0.14650 -1.0 2.0
   39    38    41    44   0.33350  1.0 3.0
   39    38    41    48   0.56750  1.0 1.0
   39    38    41    48  -0.07550 -1.0 2.0
   39    38    41    48   0.20000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    48   0.23400  1.0 3.0
   41    42    50    51   0.15000  1.0 3.0
   41    42    50    52   0.56750  1.0 1.0
   41    42    50    52  -0.07550 -1.0 2.0
   41    42    50    52   0.20000  1.0 3.0
   41    42    50    65   0.62750  1.0 1.0
   41    42    50    65  -0.30950 -1.0 2.0
   41    42    50    65   0.27300  1.0 3.0
   41    42   -66    33   0.56750  1.0 1.0
   41    42   -66    33  -0.07550 -1.0 2.0
   41    42   -66    33   0.20000  1.0 3.0
   41    42    66    63   0.56750  1.0 1.0
   41    42    66    63  -0.07550 -1.0 2.0
   41    42    66    63   0.20000  1.0 3.0
   41    42    66    69   0.86500  1.0 1.0
   41    42    66    69  -0.17500 -1.0 2.0
   41    42    66    69   0.20800  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   42    41    48    49  -0.11600  1.0 1.0
   42    41    48    49  -0.09450 -1.0 2.0
   42    41    48    49   0.21250  1.0 3.0
   42    50    52    53   0.15000  1.0 3.0
   42    50    52    54   0.34400  1.0 1.0
   42    50    52    54   0.09450 -1.0 2.0
   42    50    52    54   0.11100  1.0 3.0
   42    50    52    55   0.56750  1.0 1.0
   42    50    52    55  -0.07550 -1.0 2.0
   42    50    52    55   0.20000  1.0 3.0
   42    50    65    58  -0.25900  1.0 1.0
   42    50    65    58  -0.47000 -1.0 2.0
   42    50    65    58   0.11750  1.0 3.0
   42    66    69    70  -0.11600  1.0 1.0
   42    66    69    70  -0.09450 -1.0 2.0
   42    66    69    70   0.21250  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    65   0.23400  1.0 3.0
   43    42    66    33   0.15000  1.0 3.0
   43    42    66    63   0.15000  1.0 3.0
   43    42    66    69   0.23400  1.0 3.0
   50    42    66    33   0.56750  1.0 1.0
   50    42    66    33  -0.07550 -1.0 2.0
   50    42    66    33   0.20000  1.0 3.0
   50    42    66    63   0.56750  1.0 1.0
   50    42    66    63  -0.07550 -1.0 2.0
   50    42    66    63   0.20000  1.0 3.0
   50    42    66    69   0.86500  1.0 1.0
   50    42    66    69  -0.17500 -1.0 2.0
   50    42    66    69   0.20800  1.0 3.0
   50    52   -54    58   0.09700  1.0 1.0
   50    52   -54    58   0.15600 -1.0 2.0
   50    52   -54    58  -0.50800  1.0 3.0
   50    52    54    60   0.09850  1.0 1.0
   50    52    54    60   0.15250 -1.0 2.0
   50    52    54    60  -0.50650  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    63   0.56750  1.0 1.0
   50    52   -55    63  -0.07550 -1.0 2.0
   50    52   -55    63   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    65    58   0.08050  1.0 3.0
   52    50   -65    58  -0.25900  1.0 1.0
   52    50   -65    58  -0.47000 -1.0 2.0
   52    50   -65    58   0.11750  1.0 3.0
   52    54    58    59  -0.64400  1.0 1.0
   52    54    58    59   0.26850 -1.0 2.0
   52    54   -58    65  -0.15000  1.0 1.0
   52    54   -58    65   0.89550 -1.0 2.0
   52    54   -58    65  -0.06900  1.0 3.0
   52    54    60    61   7.00000 -1.0 2.0
   52    54    60    62   7.00000 -1.0 2.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    66   0.56750  1.0 1.0
   52    55    63    66  -0.07550 -1.0 2.0
   52    55    63    66   0.20000  1.0 3.0
   52    55    63    67   0.56750  1.0 1.0
   52    55    63    67  -0.07550 -1.0 2.0
   52    55    63    67   0.20000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    60   0.00000  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    63   0.34400  1.0 1.0
   54    52    55    63   0.09450 -1.0 2.0
   54    52    55    63   0.11100  1.0 3.0
   54    58   -65    50   2.00000 -1.0 2.0
   58    54    60    61   7.00000 -1.0 2.0
   58    54    60    62   7.00000 -1.0 2.0
   59    58    65    50   3.00000 -1.0 2.0
   65    50    52    53   0.23400  1.0 3.0
   65    50   -52    54   0.61850  1.0 1.0
   65    50   -52    54  -0.22750 -1.0 2.0
   65    50   -52    54   0.15300  1.0 3.0
   65    50    52    55   0.62750  1.0 1.0
   65    50    52    55  -0.30950 -1.0 2.0
   65    50    52    55   0.27300  1.0 3.0
   60    54    58    59   1.00000 -1.0 2.0
   60    54    58    65  -0.56150  1.0 1.0
   60    54    58    65   2.19150 -1.0 2.0
   55    52    54    58   0.09700  1.0 1.0
   55    52    54    58   0.15600 -1.0 2.0
   55    52    54    58  -0.50800  1.0 3.0
   55    52    54    60   0.09850  1.0 1.0
   55    52    54    60   0.15250 -1.0 2.0
   55    52    54    60  -0.50650  1.0 3.0
   55    63    66    33   0.56750  1.0 1.0
   55    63    66    33  -0.07550 -1.0 2.0
   55    63    66    33   0.20000  1.0 3.0
   55    63   -66    42   0.56750  1.0 1.0
   55    63   -66    42  -0.07550 -1.0 2.0
   55    63   -66    42   0.20000  1.0 3.0
   55    63    66    69   0.86500  1.0 1.0
   55    63    66    69  -0.17500 -1.0 2.0
   55    63    66    69   0.20800  1.0 3.0
   55    63    67    68   0.15000  1.0 3.0
   55    63    67    71   0.56750  1.0 1.0
   55    63    67    71  -0.07550 -1.0 2.0
   55    63    67    71   0.20000  1.0 3.0
   55    63    67    75   0.86500  1.0 1.0
   55    63    67    75  -0.17500 -1.0 2.0
   55    63    67    75   0.20800  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   56    55    63    67   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    66   0.15000  1.0 3.0
   57    55    63    67   0.15000  1.0 3.0
   63    66    69    70  -0.11600  1.0 1.0
   63    66    69    70  -0.09450 -1.0 2.0
   63    66    69    70   0.21250  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    73   0.15000  1.0 3.0
   63    67    71    74   0.15000  1.0 3.0
   63    67    75    76  -0.11600  1.0 1.0
   63    67    75    76  -0.09450 -1.0 2.0
   63    67    75    76   0.21250  1.0 3.0
   64    63    66    33   0.15000  1.0 3.0
   64    63    66    42   0.15000  1.0 3.0
   64    63    66    69   0.23400  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    75   0.23400  1.0 3.0
   66    33    38    39   0.35600  1.0 1.0
   66    33    38    39  -0.14650 -1.0 2.0
   66    33    38    39   0.33350  1.0 3.0
   66    33    38    40   0.15000  1.0 3.0
   66    33   -38    41   0.56750  1.0 1.0
   66    33   -38    41  -0.07550 -1.0 2.0
   66    33   -38    41   0.20000  1.0 3.0
   66    42    50    51   0.15000  1.0 3.0
   66    42   -50    52   0.56750  1.0 1.0
   66    42   -50    52  -0.07550 -1.0 2.0
   66    42   -50    52   0.20000  1.0 3.0
   66    42    50    65   0.62750  1.0 1.0
   66    42    50    65  -0.30950 -1.0 2.0
   66    42    50    65   0.27300  1.0 3.0
   66    63    67    68   0.15000  1.0 3.0
   66    63    67    71   0.56750  1.0 1.0
   66    63    67    71  -0.07550 -1.0 2.0
   66    63    67    71   0.20000  1.0 3.0
   66    63    67    75   0.86500  1.0 1.0
   66    63    67    75  -0.17500 -1.0 2.0
   66    63    67    75   0.20800  1.0 3.0
   67    63    66    33   0.56750  1.0 1.0
   67    63    66    33  -0.07550 -1.0 2.0
   67    63    66    33   0.20000  1.0 3.0
   67    63    66    42   0.56750  1.0 1.0
   67    63    66    42  -0.07550 -1.0 2.0
   67    63    66    42   0.20000  1.0 3.0
   67    63    66    69   0.86500  1.0 1.0
   67    63    66    69  -0.17500 -1.0 2.0
   67    63    66    69   0.20800  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
   71    67    75    76  -0.11600  1.0 1.0
   71    67    75    76  -0.09450 -1.0 2.0
   71    67    75    76   0.21250  1.0 3.0
   75    67    71    72   0.23400  1.0 3.0
   75    67    71    73   0.23400  1.0 3.0
   75    67    71    74   0.23400  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    50   0.56750  1.0 1.0
   44    41    42    50  -0.07550 -1.0 2.0
   44    41    42    50   0.20000  1.0 3.0
   44    41    42    66   0.56750  1.0 1.0
   44    41    42    66  -0.07550 -1.0 2.0
   44    41    42    66   0.20000  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    42    43   0.23400  1.0 3.0
   48    41    42    50   0.86500  1.0 1.0
   48    41    42    50  -0.17500 -1.0 2.0
   48    41    42    50   0.20800  1.0 3.0
   48    41    42    66   0.86500  1.0 1.0
   48    41    42    66  -0.17500 -1.0 2.0
   48    41    42    66   0.20800  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  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
   52    58    54    60   1.10000 -1.0 2.0
   54    65    58    59  10.50000 -1.0 2.0
   61    62    60    54   1.10000 -1.0 2.0
END
