* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    159    248     461
    1     0 S   NP   _N1_     1    29.01105    95.44293   -19.40947
    2     1 S   H    _HN1     2     1.02776    77.37617   -77.63019
    3     1 S   H    _H1_     3     1.02962    91.88883    30.74645
    4     1 S   H    _H2_     4     1.02835    41.01533   144.82601
    5     1 S   CT   _CA1     5     1.50125   149.92345   169.52976
    6     5 S   HC   _HA1     6     1.09570   105.24360    42.07762
    7     5 S   CO3  _C1_     7     1.53840   112.43489   -78.15851
    8     7 S   O2Z  _O11     8     1.26358   115.01160   -41.30193
    9     7 S   O2Z  _O12     9     1.26242   114.97257   137.94377
   10     5 S   CT   _CB1    10     1.53110   107.42409   160.08033
   11    10 S   HC   HB11    11     1.09816   109.44366   -49.77023
   12    10 S   HC   HB12    12     1.09826   110.35053    66.83492
   13    10 S   CT   _CG1    13     1.52975   112.64337  -170.90184
   14    13 S   HC   HG11    14     1.09521   110.30938   -61.09712
   15    13 S   HC   HG12    15     1.09635   110.13243    58.00193
   16    13 S   C    _CD1    16     1.51796   112.32080   178.23320
   17    16 S   O    _OE1    17     1.22715   123.20783   -11.53466
   18    16 S   N    _N2_    18     1.38581   111.59225   169.27466
   19    18 S   H    _HN2    19     1.01575   118.99970     1.06404
   20    18 S   CT1  _CA2    20     1.46257   123.55074  -178.27580
   21    20 S   HC   _HA2    21     1.09728   109.45658   -12.25733
   22    20 S   C    _C2_    22     1.53415   108.17331  -127.96124
   23    22 S   O    _O2_    23     1.23006   122.33723  -145.05401
   24    20 S   CT   _CB2    32     1.53366   111.10601   109.92584
   25    24 S   HC   HB21    33     1.09507   109.63728    54.27463
   26    24 S   HC   HB22    34     1.09506   110.78645   172.82925
   27    22 S   N    _N3_    24     1.38547   113.31562    42.28155
   28    27 S   H    _HN3    25     1.01526   118.88166    -0.54104
   29    24 S   S    _SG2    35     1.82766   111.56661   -67.91964
   30    27 S   CT   _CA3    26     1.45446   123.44910   175.15261
   31    30 S   HC   HA31    27     1.09523   109.22830    24.56010
   32    30 S   HC   HA32    28     1.09495   107.12323   141.56007
   33    29 S   CT   _C16    36     1.86422    99.68262   153.62178
   34    33 S   HC   _H5_    37     1.09802   106.16581    33.09995
   35    30 S   CO3  _C3_    29     1.52925   113.12425   -98.91366
   36    35 S   O2Z  _O31    30     1.26401   115.40820   -44.44161
   37    35 S   O2Z  _O32    31     1.26356   114.98085   136.49756
   38    33 S   CT   _C17    38     1.57605   110.96467   152.71007
   39    38 S   OM   _O36    39     1.33107   106.89916   -70.25724
   40    38 S   HC   _H6_    40     1.10236   104.56517    56.81579
   41    38 S   CT   _C12    41     1.59595   113.74667   169.94171
   42    41 S   CA   _C7_    42     1.56702   113.85238  -158.81829
   43    41 S   CT   _C21    56     1.56494   117.83045    76.43498
   44    43 S   HC   _H7_    57     1.09708   111.86288    94.77257
   45    41 S   CT   _C13    60     1.55387   111.25229   -39.83109
   46    45 S   HC   _H3_    61     1.10027   111.22792   -76.02219
   47    42 S   CA   _C8_    43     1.40120   122.97129   -24.88911
   48    47 S   HA   _H11    44     1.08253   122.67856     1.71006
   49    43 S   OH   _O38    58     1.42220   114.07476   -26.97025
   50    49 S   HO   _H23    59     0.97530   106.06716    59.15702
   51    45 S   CT   _C14    62     1.53210   115.27763    45.48165
   52    51 S   HC   _H14    63     1.09615   112.14961    63.79273
   53    51 S   HC   _H15    64     1.09642   108.69120  -179.24827
   54    47 S   CA   _C9_    45     1.38123   118.68875  -178.20136
   55    33 S   CT   _C15    65     1.54446   108.28714   -82.76636
   56    55 S   HC   _H4_    66     1.09723   109.72431    59.29444
   57    54 S   CA   _C10    46     1.37785   122.76633     0.07402
   58    55 S   OS   _O37    67     1.43444   109.63231   -60.79640
   59    57 S   CA   _C5_    47     1.38325   121.15102    -0.08847
   60    58 S   CT   _C18    68     1.42073   113.74513   161.57372
   61    60 S   HC   _H16    69     1.09323   108.08986  -174.74607
   62    60 S   HC   _H17    70     1.09280   111.01031    66.75316
   63    60 S   HC   _H18    71     1.09373   110.76528   -56.05522
   64    57 S   OS   _O34    77     1.36279   111.07316  -179.94405
   65    42 S   CA   _C6_    48     1.43181   118.42412   157.22650
   66    59 S   OS   _O33    72     1.36713   127.05411  -179.38834
   67    64 S   CO   _C11    78     1.43792   101.99549    -0.06853
   68    67 S   HC   _H12    79     1.09602   108.71968  -120.91107
   69    67 S   HC   _H13    80     1.09602   108.71886   120.96625
   70    65 S   CT   _C19    49     1.52204   119.28264    -3.91862
   71    70 S   HC   _H19    50     1.09728   110.09996   131.41417
   72    70 S   HC   _H20    51     1.09810   107.70755  -112.88474
   73    66 S   CT   _C4_    73     1.41990   118.48008    -0.09691
   74    73 S   HC   _H8_    74     1.09450   107.62254   179.94766
   75    73 S   HC   _H9_    75     1.09454   111.22062    62.60216
   76    73 S   HC   _H10    76     1.09454   111.21370   -62.70853
   77    54 S   OS   _O35    81     1.36349   124.36174  -179.96574
   78    70 S   NTH0 _N4_    52     1.47673   115.31089     7.18758
   79    78 S   CT   _C20    53     1.47746   110.79927    71.06610
   80    79 S   HC   _H21    54     1.09673   108.95115   149.09308
   81    79 S   HC   _H22    55     1.09659   112.26911    31.91411
  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
  15   8   2   1   1  17   6   5  21  19  13   7  17   7   9   4
   5   1   9   5   4   9   7   2  10   4  13   3   2   1   1   6
   7   5   3   2   1   6   3   2   3   2   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    55    56    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    51    52    53    55    56    58    60  
   38    39    40    41    51    55    56    58  
   36    37  
   37  
    0  
   39    40    41    42    47    65    78    79    43    44    49    45    46    51    55    56    58  
   40    41    42    43    45    55  
   41    42    43    45    55  
   42    47    48    54    59    65    70    78    79    80    81    43    44    49    50    45    46    51    52    53    55  
   47    48    54    57    59    65    70    71    72    78    79    43    44    49    45    46    51    66    77  
   44    49    50    45    46    51    47    65    70    78    79    80    81  
   49    50    45    78    79    80    81  
   46    51    52    53    55    56    58    47    49    65    70    71    72    78    79    80    81  
   51    52    53    55    70    78    79  
   48    54    57    59    65    70    64    67    77  
   54    57    65    77  
   50    78    79    80    81  
   79  
   52    53    55    56    58    60    70    78    79  
   53    55    56    58    78  
   55    56    58    78  
   57    59    65    66    64    67    68    69    77  
   56    58    60    61    62    63    78  
   58    60  
   59    65    70    66    73    64    67    68    69    77  
   60    61    62    63  
   65    70    71    72    78    66    73    74    75    76    64    67    77  
   61    62    63  
   62    63  
   63  
    0  
   67    68    69    77    65    66  
   70    71    72    78    79    66    73  
   73    74    75    76    70  
   68    69    77  
   69    77  
   77  
   71    72    78    79    80    81  
   72    78    79  
   78    79  
   74    75    76  
   75    76  
   76  
    0  
    0  
   79    80    81  
   80    81  
   81  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   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   268.000  1.529
   33    55   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    45   268.000  1.529
   42    47   469.000  1.400
   42    65   469.000  1.400
   47    48   367.000  1.080
   47    54   469.000  1.400
   54    57   469.000  1.400
   54    77   450.000  1.364
   57    59   469.000  1.400
   57    64   450.000  1.364
   59    65   469.000  1.400
   59    66   450.000  1.364
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   310.000  1.447
   78    79   310.000  1.447
   78    45   310.000  1.447
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    43   268.000  1.529
   43    44   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
   45    46   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    58   320.000  1.410
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   66    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   320.000  1.380
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    55    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    55    51    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.17500
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    47    70.00000  120.00000
   41    42    65    70.00000  120.00000
   41    43    79    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    49    50.00000  109.50000
   41    45    78    75.00000  113.73300
   41    45    46    37.50000  110.70000
   41    45    51    58.35000  112.70000
   42    47    48    35.00000  120.00000
   42    47    54    63.00000  120.00000
   42    65    59    63.00000  120.00000
   42    65    70    70.00000  120.00000
   47    54    57    63.00000  120.00000
   47    54    77    70.00000  120.00000
   54    47    48    35.00000  120.00000
   54    57    59    63.00000  120.00000
   54    57    64    70.00000  120.00000
   54    77    67   100.00000  112.36700
   57    59    65    63.00000  120.00000
   57    59    66    70.00000  120.00000
   57    64    67   100.00000  112.36700
   59    65    70    70.00000  120.00000
   59    66    73    75.00000  111.00000
   65    42    47    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    78    75.00000  112.33000
   70    78    79    80.00000  110.40700
   70    78    45    80.00000  110.40700
   72    70    71    33.00000  107.80000
   78    70    71    50.00000  110.15500
   78    70    72    50.00000  110.15500
   78    79    80    50.00000  110.15500
   78    79    81    50.00000  110.15500
   78    79    43    75.00000  113.73300
   78    45    46    50.00000  110.15500
   78    45    51    75.00000  113.73300
   79    43    44    37.50000  110.70000
   79    43    49    50.00000  109.50000
   81    79    80    33.00000  107.80000
   43    41    42    70.00000  112.17500
   43    79    80    37.50000  110.70000
   43    79    81    37.50000  110.70000
   43    49    50    55.00000  108.50000
   49    43    44    35.00000  109.50000
   45    41    42    70.00000  112.17500
   45    41    43    58.35000  112.70000
   45    78    79    80.00000  110.40700
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    55    58.35000  112.70000
   51    45    46    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    58    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    58    60    60.00000  109.50000
   58    55    56    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   66    59    65    70.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    57    59    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    77    92.60000  111.55000
   69    67    68    33.00000  109.50000
   77    54    57    70.00000  120.00000
   77    67    68    35.00000  109.50000
   77    67    69    35.00000  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    55    51   0.44750  1.0 1.0
   29    33    55    51  -0.17800 -1.0 2.0
   29    33    55    51   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    41    42  -0.03700  1.0 1.0
   33    38    41    42   0.37200 -1.0 2.0
   33    38    41    42  -0.47300  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    55    58    60   0.06250  1.0 1.0
   33    55    58    60  -0.01100 -1.0 2.0
   33    55    58    60   0.28050  1.0 3.0
   34    33    38    39   0.23400  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    55    51   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    51   0.56750  1.0 1.0
   38    33    55    51  -0.07550 -1.0 2.0
   38    33    55    51   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58   0.62750  1.0 1.0
   38    33    55    58  -0.30950 -1.0 2.0
   38    33    55    58   0.27300  1.0 3.0
   38    41    42    47   0.04150 -1.0 2.0
   38    41    42    65   0.04150 -1.0 2.0
   38    41    43    79   0.56750  1.0 1.0
   38    41    43    79  -0.07550 -1.0 2.0
   38    41    43    79   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    49   0.86500  1.0 1.0
   38    41    43    49  -0.17500 -1.0 2.0
   38    41    43    49   0.20800  1.0 3.0
   38    41    45    78   1.53400  1.0 1.0
   38    41    45    78  -0.09950 -1.0 2.0
   38    41    45    78   0.05700  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41   -45    51   0.56750  1.0 1.0
   38    41   -45    51  -0.07550 -1.0 2.0
   38    41   -45    51   0.20000  1.0 3.0
   39    38    41    42  -0.64350  1.0 1.0
   39    38    41    42  -0.04200 -1.0 2.0
   39    38    41    42   0.19800  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.43200  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    42    47    48   3.62500 -1.0 2.0
   41    42    47    54   3.62500 -1.0 2.0
   41    42    65    59   3.62500 -1.0 2.0
   41    42    65    70   3.62500 -1.0 2.0
   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
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    55   0.56750  1.0 1.0
   41    45    51    55  -0.07550 -1.0 2.0
   41    45    51    55   0.20000  1.0 3.0
   42    41    43    79  -0.03700  1.0 1.0
   42    41    43    79   0.37200 -1.0 2.0
   42    41    43    79  -0.47300  1.0 3.0
   42    41    43    44   0.43200  1.0 3.0
   42    41    43    49   1.13150  1.0 1.0
   42    41    43    49  -1.01400 -1.0 2.0
   42    41    45    78   0.83750  1.0 1.0
   42    41    45    78   0.32200 -1.0 2.0
   42    41    45    78   0.70600  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    51  -0.03700  1.0 1.0
   42    41    45    51   0.37200 -1.0 2.0
   42    41    45    51  -0.47300  1.0 3.0
   42    47    54    57   3.62500 -1.0 2.0
   42    47    54    77   3.62500 -1.0 2.0
   42    65    70    71   0.00000  1.0 1.0
   42    65    70    72   0.00000  1.0 1.0
   42    65   -70    78   0.18550 -1.0 2.0
   42    65   -70    78   0.14000  1.0 3.0
   47    42    65    59   3.62500 -1.0 2.0
   47    42    65    70   3.62500 -1.0 2.0
   47    54   -57    59   3.62500 -1.0 2.0
   47    54    57    64   3.62500 -1.0 2.0
   47    54    77    67   1.63200 -1.0 2.0
   48    47    54    57   3.62500 -1.0 2.0
   48    47    54    77   3.62500 -1.0 2.0
   54    57    59    65   3.62500 -1.0 2.0
   54    57    59    66   3.62500 -1.0 2.0
   54    57   -64    67   1.63200 -1.0 2.0
   57    54   -77    67   1.63200 -1.0 2.0
   57    59   -65    42   3.62500 -1.0 2.0
   57    59    65    70   3.62500 -1.0 2.0
   57    59    66    73   1.63200 -1.0 2.0
   57    64    67    68   0.08050  1.0 3.0
   57    64    67    69   0.08050  1.0 3.0
   57    64   -67    77  -0.25600  1.0 1.0
   57    64   -67    77  -0.40050 -1.0 2.0
   57    64   -67    77   0.34700  1.0 3.0
   59    57    64    67   1.63200 -1.0 2.0
   59    65    70    71   0.00000  1.0 1.0
   59    65    70    72   0.00000  1.0 1.0
   59    65    70    78   0.18550 -1.0 2.0
   59    65    70    78   0.14000  1.0 3.0
   59    66    73    74   0.08050  1.0 3.0
   59    66    73    75   0.08050  1.0 3.0
   59    66    73    76   0.08050  1.0 3.0
   65    42    47    48   3.62500 -1.0 2.0
   65    42   -47    54   3.62500 -1.0 2.0
   65    59    66    73   1.63200 -1.0 2.0
   65    70    78    79   0.82600  1.0 1.0
   65    70    78    79  -0.32100 -1.0 2.0
   65    70    78    79   1.02000  1.0 3.0
   65    70    78    45   0.82600  1.0 1.0
   65    70    78    45  -0.32100 -1.0 2.0
   65    70    78    45   1.02000  1.0 3.0
   70    78    79    80   0.28000  1.0 3.0
   70    78    79    81   0.28000  1.0 3.0
   70    78    79    43   1.99000  1.0 1.0
   70    78    79    43   0.18800 -1.0 2.0
   70    78    79    43   0.81350  1.0 3.0
   70    78   -45    41   1.99000  1.0 1.0
   70    78   -45    41   0.18800 -1.0 2.0
   70    78   -45    41   0.81350  1.0 3.0
   70    78    45    46   0.28000  1.0 3.0
   70    78    45    51   1.99000  1.0 1.0
   70    78    45    51   0.18800 -1.0 2.0
   70    78    45    51   0.81350  1.0 3.0
   71    70    78    79   0.28000  1.0 3.0
   71    70    78    45   0.28000  1.0 3.0
   72    70    78    79   0.28000  1.0 3.0
   72    70    78    45   0.28000  1.0 3.0
   78    79   -43    41   1.53400  1.0 1.0
   78    79   -43    41  -0.09950 -1.0 2.0
   78    79   -43    41   0.05700  1.0 3.0
   78    79    43    44   0.15000  1.0 3.0
   78    79    43    49   3.18500  1.0 1.0
   78    45    51    52   0.15000  1.0 3.0
   78    45    51    53   0.15000  1.0 3.0
   78    45    51    55   1.53400  1.0 1.0
   78    45    51    55  -0.09950 -1.0 2.0
   78    45    51    55   0.05700  1.0 3.0
   79    78   -45    41   1.99000  1.0 1.0
   79    78   -45    41   0.18800 -1.0 2.0
   79    78   -45    41   0.81350  1.0 3.0
   79    78    45    46   0.28000  1.0 3.0
   79    78    45    51   1.99000  1.0 1.0
   79    78    45    51   0.18800 -1.0 2.0
   79    78    45    51   0.81350  1.0 3.0
   79    43    49    50  -0.11600  1.0 1.0
   79    43    49    50  -0.09450 -1.0 2.0
   79    43    49    50   0.21250  1.0 3.0
   80    79    43    41   0.15000  1.0 3.0
   80    79    43    44   0.15000  1.0 3.0
   80    79    43    49   0.23400  1.0 3.0
   81    79    43    41   0.15000  1.0 3.0
   81    79    43    44   0.15000  1.0 3.0
   81    79    43    49   0.23400  1.0 3.0
   43    41    42    47   0.04150 -1.0 2.0
   43    41    42    65   0.04150 -1.0 2.0
   43    41   -45    78   1.53400  1.0 1.0
   43    41   -45    78  -0.09950 -1.0 2.0
   43    41   -45    78   0.05700  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    51   0.56750  1.0 1.0
   43    41    45    51  -0.07550 -1.0 2.0
   43    41    45    51   0.20000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   45    41    42    47   0.04150 -1.0 2.0
   45    41   -42    65   0.04150 -1.0 2.0
   45    41   -43    79   0.56750  1.0 1.0
   45    41   -43    79  -0.07550 -1.0 2.0
   45    41   -43    79   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    49   0.86500  1.0 1.0
   45    41    43    49  -0.17500 -1.0 2.0
   45    41    43    49   0.20800  1.0 3.0
   45    78    79    80   0.28000  1.0 3.0
   45    78    79    81   0.28000  1.0 3.0
   45    78   -79    43   1.99000  1.0 1.0
   45    78   -79    43   0.18800 -1.0 2.0
   45    78   -79    43   0.81350  1.0 3.0
   45    51   -55    33   0.56750  1.0 1.0
   45    51   -55    33  -0.07550 -1.0 2.0
   45    51   -55    33   0.20000  1.0 3.0
   45    51    55    56   0.15000  1.0 3.0
   45    51    55    58   0.62750  1.0 1.0
   45    51    55    58  -0.30950 -1.0 2.0
   45    51    55    58   0.27300  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    55   0.15000  1.0 3.0
   51    55    58    60   0.06250  1.0 1.0
   51    55    58    60  -0.01100 -1.0 2.0
   51    55    58    60   0.28050  1.0 3.0
   52    51    55    33   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.23400  1.0 3.0
   53    51    55    33   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    58   0.23400  1.0 3.0
   55    33    38    39   0.62750  1.0 1.0
   55    33    38    39  -0.30950 -1.0 2.0
   55    33    38    39   0.27300  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33   -38    41   0.56750  1.0 1.0
   55    33   -38    41  -0.07550 -1.0 2.0
   55    33   -38    41   0.20000  1.0 3.0
   55    58    60    61   0.37050  1.0 3.0
   55    58    60    62   0.37050  1.0 3.0
   55    58    60    63   0.37050  1.0 3.0
   56    55    58    60   0.37050  1.0 3.0
   66    59    65    42   3.62500 -1.0 2.0
   66    59    65    70   3.62500 -1.0 2.0
   64    57    59    65   3.62500 -1.0 2.0
   64    57    59    66   3.62500 -1.0 2.0
   64    67   -77    54  -0.25600  1.0 1.0
   64    67   -77    54  -0.40050 -1.0 2.0
   64    67   -77    54   0.34700  1.0 3.0
   68    67    77    54   0.08050  1.0 3.0
   69    67    77    54   0.08050  1.0 3.0
   77    54    57    59   3.62500 -1.0 2.0
   77    54   -57    64   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   47    65    42    41   4.00000 -1.0 2.0
   54    48    47    42   1.10000 -1.0 2.0
   57    77    54    47   4.00000 -1.0 2.0
   59    64    57    54   4.00000 -1.0 2.0
   65    66    59    57   4.00000 -1.0 2.0
   59    70    65    42   4.00000 -1.0 2.0
END
