* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    143    221     431
    1     0 S   NP   _N1_     1    28.96424    94.09340   -23.43909
    2     1 S   H    _HN1     2     1.02789   103.52797  -105.96423
    3     1 S   H    _H1_     3     1.02958    85.70913     1.88855
    4     1 S   H    _H2_     4     1.02823    25.07087   150.56203
    5     1 S   CT   _CA1     5     1.50153   132.43809   115.75990
    6     5 S   HC   _HA1     6     1.09576   105.15743    74.13534
    7     5 S   CO3  _C1_     7     1.53847   112.61437   -45.85900
    8     7 S   O2Z  _O11     8     1.26367   115.10828   -37.87179
    9     7 S   O2Z  _O12     9     1.26245   114.98997   141.32080
   10     5 S   CT   _CB1    10     1.53083   107.32030  -168.00952
   11    10 S   HC   HB11    11     1.09832   109.36968   -50.34114
   12    10 S   HC   HB12    12     1.09723   110.22617    66.04153
   13    10 S   CT   _CG1    13     1.52963   112.77058  -171.35046
   14    13 S   HC   HG11    14     1.09582   110.58474   -65.41324
   15    13 S   HC   HG12    15     1.09663   109.77203    53.79931
   16    13 S   C    _CD1    16     1.51799   112.45636   174.43380
   17    16 S   O    _OE1    17     1.22712   123.43362     6.90393
   18    16 S   N    _N2_    18     1.38692   111.66205  -173.32256
   19    18 S   H    _HN2    19     1.01576   118.93364     3.55611
   20    18 S   CT1  _CA2    20     1.46150   123.40635   179.81548
   21    20 S   HC   _HA2    21     1.09599   109.10255     9.25245
   22    20 S   C    _C2_    22     1.53634   109.50754  -106.30944
   23    22 S   O    _O2_    23     1.23104   122.00905  -150.59294
   24    20 S   CT   _CB2    32     1.53392   111.42176   131.30068
   25    24 S   HC   HB21    33     1.09656   109.60601    61.81466
   26    24 S   HC   HB22    34     1.09558   111.18497   179.36696
   27    22 S   N    _N3_    24     1.38234   114.06694    36.88916
   28    27 S   H    _HN3    25     1.01542   119.70605    -3.16774
   29    24 S   S    _SG2    35     1.82775   113.99325   -57.65724
   30    27 S   CT   _CA3    26     1.45296   123.22153   177.13967
   31    30 S   HC   HA31    27     1.09549   107.51127   -64.67671
   32    30 S   HC   HA32    28     1.09557   107.99162    51.77143
   33    29 S   CT   _C15    36     1.82917    99.77716   -73.48356
   34    33 S   HC   _H18    37     1.09424   108.17610   -58.58799
   35    33 S   HC   _H19    38     1.09376   108.21739    60.15797
   36    30 S   CO3  _C3_    29     1.52965   114.06998   173.77710
   37    36 S   O2Z  _O31    30     1.26375   116.07192    -0.41117
   38    36 S   O2Z  _O32    31     1.26425   114.41576   179.64447
   39    33 S   CT   _C14    39     1.53407   109.99247  -179.26405
   40    39 S   HC   _H12    40     1.09885   109.72620    46.45760
   41    39 S   CT   _C13    41     1.54131   112.38485   167.27426
   42    41 S   HC   _H11    42     1.09621   110.77828   -64.26138
   43    41 S   CT   _C12    43     1.53648   109.38890   174.99246
   44    43 S   HC   _H10    44     1.09735   108.57151    67.82392
   45    41 S   OH   _O39    77     1.42726   110.97763    54.15486
   46    45 S   HO   _H20    78     0.97165   108.21718   -69.74335
   47    43 S   CT   _C11    45     1.53181   112.03840   -51.71192
   48    47 S   HC   _H9_    46     1.09559   110.91612   174.69330
   49    43 S   OH   _O40    75     1.42475   111.24199  -174.57003
   50    49 S   HO   _H21    76     0.97235   107.71238   -50.18657
   51    47 S   CO   _C10    47     1.53344   109.63236    51.97647
   52    51 S   HC   _H8_    48     1.09802   109.60515    64.03717
   53    47 S   OH   _O41    73     1.43140   110.23645   -68.11721
   54    53 S   HO   _H22    74     0.97329   106.91202   -44.58784
   55    39 S   OS   _O38    49     1.43574   107.65388   -71.73355
   56    51 S   OS   _O37    50     1.43245   108.22588  -178.61012
   57    56 S   CT   _C6_    51     1.43360   113.87042   179.40554
   58    57 S   HC   _H4_    52     1.09785   110.02869     9.05640
   59    57 S   CT   _C7_    53     1.53946   109.64070  -111.41285
   60    59 S   HC   _H5_    54     1.09672   108.25287   171.37939
   61    59 S   CT   _C8_    55     1.53094   112.06112   -68.83857
   62    61 S   HC   _H6_    56     1.09514   110.99208  -175.31308
   63    59 S   OH   _O36    71     1.42335   112.06237    53.63455
   64    63 S   HO   _H17    72     0.97341   108.17278    35.84573
   65    61 S   CO   _C9_    57     1.53020   109.37417   -52.50168
   66    65 S   HC   _H7_    58     1.09709   110.16227   -63.65239
   67    61 S   OH   _O35    69     1.43211   110.25981    67.68478
   68    67 S   HO   _H16    70     0.97365   107.04419    40.57185
   69    65 S   OS   _O33    59     1.42853   110.26012    56.95764
   70    65 S   OH   _O34    67     1.42385   109.26732   178.43577
   71    70 S   HO   _H15    68     0.97164   106.59413   159.54880
   72    57 S   CT   _C5_    60     1.54164   109.25056   128.76084
   73    72 S   HC   _H3_    61     1.09809   109.96865  -174.97293
   74    72 S   CT   _C4_    62     1.52888   111.88072   -53.68908
   75    74 S   HC   _H13    63     1.09489   111.40977    73.27567
   76    74 S   HC   _H14    64     1.09435   111.04302   -49.24433
   77    74 S   OH   _O42    65     1.42515   109.10732  -167.95880
   78    77 S   HO   _H23    66     0.97228   107.01075  -177.67207
  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   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  13   7   4   1  10   7
   3   1   9   4   3   1   2  10  16   8  14   7  11   7   4   1
   9   5   3   1   8   2   1   6   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    55  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    51    55    45  
   35    39    40    41    55  
   39    40    41    55  
   37    38  
   38  
    0  
   40    41    42    43    44    47    51    52    55    56    49    45    46  
   41    42    43    51    55    45  
   42    43    44    47    48    51    55    53    49    50    45    46  
   43    44    47    55    49    45    46  
   44    47    48    51    52    55    56    53    54    49    50    45    46  
   47    48    51    53    49    50    45  
   46    47    49    55  
    0  
   48    51    52    55    56    57    53    54    49    50  
   51    52    55    56    53    54    49  
   50    51    53  
    0  
   52    55    56    57    58    59    72    53    54  
   55    56    57    53  
   54    55    56  
    0  
   56    57  
   57    58    59    60    61    69    72    73    74    63  
   58    59    60    61    62    65    69    72    73    74    75    76    77    67    63    64  
   59    60    61    69    72    73    74    63  
   60    61    62    65    66    69    72    73    74    70    67    68    63    64  
   61    62    65    72    67    63    64  
   62    65    66    69    72    70    71    67    68    63    64  
   65    66    69    70    67    68    63  
   64    65    67    72  
    0  
   66    69    72    73    74    70    71    67    68  
   69    72    70    71    67  
   68    69    70  
    0  
   72    73    74    75    76    77    70    71  
   71    72  
    0  
   73    74    75    76    77    78  
   74    75    76    77  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    55   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.380
   51    56   320.000  1.380
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    72   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    65   250.000  1.527
   61    67   320.000  1.410
   65    66   340.000  1.090
   65    69   320.000  1.380
   65    70   380.000  1.407
   69    72   320.000  1.410
   72    73   340.000  1.090
   72    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   320.000  1.410
   77    78   553.000  0.945
   70    71   553.000  0.945
   67    68   553.000  0.945
   63    64   553.000  0.945
   53    54   553.000  0.945
   49    50   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    55    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    55    51    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    51    75.00000  109.43000
   43    47    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    51    52    45.00000  112.01100
   47    51    55    90.00000  108.56700
   47    51    56    90.00000  108.56700
   47    53    54    55.00000  108.50000
   51    47    48    45.00000  108.72000
   51    56    57    60.00000  109.50000
   55    39    40    35.00000  109.50000
   55    39    41    50.00000  109.50000
   55    51    52    35.00000  109.50000
   56    51    52    35.00000  109.50000
   56    51    55    92.60000  111.55000
   56    57    58    35.00000  109.50000
   56    57    59    50.00000  109.50000
   56    57    72    50.00000  109.50000
   57    59    60    37.50000  110.70000
   57    59    61    58.35000  112.70000
   57    59    63    50.00000  109.50000
   57    72    69    50.00000  109.50000
   57    72    73    37.50000  110.70000
   57    72    74    58.35000  112.70000
   59    57    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    65    75.00000  109.43000
   59    61    67    50.00000  109.50000
   59    63    64    55.00000  108.50000
   61    59    60    37.50000  110.70000
   61    65    66    45.00000  112.01100
   61    65    69    90.00000  108.56700
   61    65    70    90.00000  110.19100
   61    67    68    55.00000  108.50000
   65    61    62    45.00000  108.72000
   65    69    72    60.00000  109.50000
   65    70    71    70.00000  107.92000
   69    65    66    35.00000  109.50000
   69    72    73    35.00000  109.50000
   69    72    74    50.00000  109.50000
   72    57    58    37.50000  110.70000
   72    57    59    58.35000  112.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    50.00000  109.50000
   74    72    73    37.50000  110.70000
   74    77    78    55.00000  108.50000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   70    65    66    60.00000  108.02500
   70    65    69   110.00000  112.08000
   67    61    62    35.00000  109.50000
   67    61    65    90.00000  111.58700
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   53    47    48    35.00000  109.50000
   53    47    51    90.00000  111.58700
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    55    51   0.06250  1.0 1.0
   33    39    55    51  -0.01100 -1.0 2.0
   33    39    55    51   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    55   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    55    51   0.37050  1.0 3.0
   41    39    55    51   0.06250  1.0 1.0
   41    39    55    51  -0.01100 -1.0 2.0
   41    39    55    51   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   3.97050  1.0 1.0
   41    43    47    53   0.86500  1.0 1.0
   41    43    47    53  -0.17500 -1.0 2.0
   41    43    47    53   0.20800  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    55   0.62750  1.0 1.0
   43    47    51    55  -0.30950 -1.0 2.0
   43    47    51    55   0.27300  1.0 3.0
   43    47    51    56   0.62750  1.0 1.0
   43    47    51    56  -0.30950 -1.0 2.0
   43    47    51    56   0.27300  1.0 3.0
   43    47    53    54  -0.11600  1.0 1.0
   43    47    53    54  -0.09450 -1.0 2.0
   43    47    53    54   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51   -55    39   0.06250  1.0 1.0
   47    51   -55    39  -0.01100 -1.0 2.0
   47    51   -55    39   0.28050  1.0 3.0
   47    51    56    57   0.06250  1.0 1.0
   47    51    56    57  -0.01100 -1.0 2.0
   47    51    56    57   0.28050  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    51    56   0.23400  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   51    47    53    54  -0.11600  1.0 1.0
   51    47    53    54  -0.09450 -1.0 2.0
   51    47    53    54   0.21250  1.0 3.0
   51    56    57    58   0.37050  1.0 3.0
   51    56    57    59   0.06250  1.0 1.0
   51    56    57    59  -0.01100 -1.0 2.0
   51    56    57    59   0.28050  1.0 3.0
   51    56    57    72   0.06250  1.0 1.0
   51    56    57    72  -0.01100 -1.0 2.0
   51    56    57    72   0.28050  1.0 3.0
   52    51    55    39   0.37050  1.0 3.0
   52    51    56    57   0.37050  1.0 3.0
   55    39    41    42   0.23400  1.0 3.0
   55    39   -41    43   0.62750  1.0 1.0
   55    39   -41    43  -0.30950 -1.0 2.0
   55    39   -41    43   0.27300  1.0 3.0
   55    39    41    45   3.69350  1.0 1.0
   55    39    41    45  -1.82950 -1.0 2.0
   55    51    56    57  -0.53350  1.0 1.0
   55    51    56    57  -0.78350 -1.0 2.0
   55    51    56    57   0.33750  1.0 3.0
   56    51    55    39  -0.81800  1.0 1.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.62750  1.0 1.0
   56    57    59    61  -0.30950 -1.0 2.0
   56    57    59    61   0.27300  1.0 3.0
   56    57    59    63   3.69350  1.0 1.0
   56    57    59    63  -1.82950 -1.0 2.0
   56    57    72    69   1.11900  1.0 1.0
   56    57    72    69  -1.16350 -1.0 2.0
   56    57    72    69  -0.34150  1.0 3.0
   56    57    72    73   0.23400  1.0 3.0
   56    57    72    74   0.62750  1.0 1.0
   56    57    72    74  -0.30950 -1.0 2.0
   56    57    72    74   0.27300  1.0 3.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    65   3.97050  1.0 1.0
   57    59    61    67   0.86500  1.0 1.0
   57    59    61    67  -0.17500 -1.0 2.0
   57    59    61    67   0.20800  1.0 3.0
   57    59    63    64  -0.11600  1.0 1.0
   57    59    63    64  -0.09450 -1.0 2.0
   57    59    63    64   0.21250  1.0 3.0
   57    72    74    75   0.15000  1.0 3.0
   57    72    74    76   0.15000  1.0 3.0
   57    72    74    77   0.86500  1.0 1.0
   57    72    74    77  -0.17500 -1.0 2.0
   57    72    74    77   0.20800  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    72    69   0.23400  1.0 3.0
   58    57    72    73   0.15000  1.0 3.0
   58    57    72    74   0.15000  1.0 3.0
   59    57    72    69   0.62750  1.0 1.0
   59    57    72    69  -0.30950 -1.0 2.0
   59    57    72    69   0.27300  1.0 3.0
   59    57    72    73   0.15000  1.0 3.0
   59    57    72    74   0.56750  1.0 1.0
   59    57    72    74  -0.07550 -1.0 2.0
   59    57    72    74   0.20000  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61   -65    69   0.62750  1.0 1.0
   59    61   -65    69  -0.30950 -1.0 2.0
   59    61   -65    69   0.27300  1.0 3.0
   59    61    65    70   0.86500  1.0 1.0
   59    61    65    70  -0.17500 -1.0 2.0
   59    61    65    70   0.20800  1.0 3.0
   59    61    67    68  -0.11600  1.0 1.0
   59    61    67    68  -0.09450 -1.0 2.0
   59    61    67    68   0.21250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64  -0.11600  1.0 1.0
   61    59    63    64  -0.09450 -1.0 2.0
   61    59    63    64   0.21250  1.0 3.0
   61    65    69    72   0.06250  1.0 1.0
   61    65    69    72  -0.01100 -1.0 2.0
   61    65    69    72   0.28050  1.0 3.0
   61    65    70    71  -0.11600  1.0 1.0
   61    65    70    71  -0.09450 -1.0 2.0
   61    65    70    71   0.21250  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.23400  1.0 3.0
   62    61    65    70   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68  -0.11600  1.0 1.0
   65    61    67    68  -0.09450 -1.0 2.0
   65    61    67    68   0.21250  1.0 3.0
   65    69   -72    57   0.06250  1.0 1.0
   65    69   -72    57  -0.01100 -1.0 2.0
   65    69   -72    57   0.28050  1.0 3.0
   65    69    72    73   0.37050  1.0 3.0
   65    69    72    74   0.06250  1.0 1.0
   65    69    72    74  -0.01100 -1.0 2.0
   65    69    72    74   0.28050  1.0 3.0
   66    65    69    72   0.37050  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   69    65    70    71  -0.50000  1.0 1.0
   69    65    70    71  -0.73950 -1.0 2.0
   69    65    70    71   0.17150  1.0 3.0
   69    72    74    75   0.23400  1.0 3.0
   69    72    74    76   0.23400  1.0 3.0
   69    72    74    77   3.69350  1.0 1.0
   69    72    74    77  -1.82950 -1.0 2.0
   72    57    59    60   0.15000  1.0 3.0
   72    57   -59    61   0.56750  1.0 1.0
   72    57   -59    61  -0.07550 -1.0 2.0
   72    57   -59    61   0.20000  1.0 3.0
   72    57    59    63   0.86500  1.0 1.0
   72    57    59    63  -0.17500 -1.0 2.0
   72    57    59    63   0.20800  1.0 3.0
   72    74    77    78  -0.11600  1.0 1.0
   72    74    77    78  -0.09450 -1.0 2.0
   72    74    77    78   0.21250  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78   0.19450  1.0 3.0
   70    65    69    72  -0.81800  1.0 1.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69   3.69350  1.0 1.0
   67    61    65    69  -1.82950 -1.0 2.0
   67    61    65    70   3.75450  1.0 1.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    65   0.86500  1.0 1.0
   63    59    61    65  -0.17500 -1.0 2.0
   63    59    61    65   0.20800  1.0 3.0
   63    59    61    67   3.75450  1.0 1.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   3.69350  1.0 1.0
   53    47    51    55  -1.82950 -1.0 2.0
   53    47    51    56   3.69350  1.0 1.0
   53    47    51    56  -1.82950 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   0.86500  1.0 1.0
   49    43    47    51  -0.17500 -1.0 2.0
   49    43    47    51   0.20800  1.0 3.0
   49    43    47    53   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
END
