* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    160    254     474
    1     0 S   NP   _N1_     1    29.12328    97.42390   -19.87470
    2     1 S   H    _HN1     2     1.02799    84.00775  -101.71375
    3     1 S   H    _H1_     3     1.02949    73.04714     9.48914
    4     1 S   H    _H2_     4     1.02842    50.89528   139.53541
    5     1 S   CT   _CA1     5     1.50030   159.99227   113.15856
    6     5 S   HC   _HA1     6     1.09551   105.35748    80.94615
    7     5 S   CO3  _C1_     7     1.53773   112.50296   -39.78695
    8     7 S   O2Z  _O11     8     1.26392   115.11320   -43.50041
    9     7 S   O2Z  _O12     9     1.26233   115.07424   136.24549
   10     5 S   CT   _CB1    10     1.53078   107.54363  -160.66929
   11    10 S   HC   HB11    11     1.09822   109.76990   -47.66939
   12    10 S   HC   HB12    12     1.09833   110.25251    69.00908
   13    10 S   CT   _CG1    13     1.53005   112.49988  -168.58223
   14    13 S   HC   HG11    14     1.09552   110.67698   -58.06517
   15    13 S   HC   HG12    15     1.09637   109.96069    61.20130
   16    13 S   C    _CD1    16     1.51683   112.14276  -178.15538
   17    16 S   O    _OE1    17     1.22721   123.24509    -0.59413
   18    16 S   N    _N2_    18     1.38615   111.64564   178.83148
   19    18 S   H    _HN2    19     1.01576   119.15812     3.81028
   20    18 S   CT1  _CA2    20     1.46133   123.16972  -179.13702
   21    20 S   HC   _HA2    21     1.09732   109.28755     0.17694
   22    20 S   C    _C2_    22     1.53470   108.92903  -115.45490
   23    22 S   O    _O2_    23     1.23051   122.26019  -149.73125
   24    20 S   CT   _CB2    32     1.53288   111.52031   121.84663
   25    24 S   HC   HB21    33     1.09455   110.13179    61.19194
   26    24 S   HC   HB22    34     1.09544   110.13532   178.88285
   27    22 S   N    _N3_    24     1.38318   113.70351    37.73281
   28    27 S   H    _HN3    25     1.01596   119.55408    -3.36906
   29    24 S   S    _SG2    35     1.83034   111.71805   -62.46795
   30    27 S   CT   _CA3    26     1.45290   123.19240   177.07317
   31    30 S   HC   HA31    27     1.09549   107.50080   -64.74039
   32    30 S   HC   HA32    28     1.09556   107.99766    51.70082
   33    29 S   CT   _C11    36     1.83609   100.41528   116.41359
   34    33 S   HC   _H4_    37     1.09609   107.21565   -40.21638
   35    30 S   CO3  _C3_    29     1.52949   114.07598   173.69192
   36    35 S   O2Z  _O31    30     1.26377   116.04418    -1.09504
   37    35 S   O2Z  _O32    31     1.26426   114.42040   178.97645
   38    33 S   CM   _C10    38     1.51435   108.62219    78.99266
   39    38 S   CMA  _C9_    39     1.35516   122.52434    87.41104
   40    39 S   OM   _O36    40     1.26282   130.70830   178.92991
   41    38 S   OS   _O35    79     1.38719   115.68439   -93.18738
   42    39 S   CT   _C8_    41     1.53804   117.91097    -3.71626
   43    42 S   HC   _H14    42     1.10120   110.27349   154.78054
   44    42 S   HC   _H15    43     1.10040   104.32842   -92.16671
   45    41 S   CT   _C22    80     1.42611   110.93470   -85.43240
   46    45 S   HC   _H24    81     1.09395   107.87071  -178.55612
   47    45 S   HC   _H25    82     1.09484   111.27192    63.11711
   48    45 S   HC   _H26    83     1.09521   111.28905   -60.14935
   49    42 S   CT   _C7_    44     1.57589   118.41426    30.09301
   50    49 S   CA   _C16    45     1.54958   112.57518  -133.84820
   51    49 S   CT   _C6_    72     1.56001   110.65460   108.05802
   52    51 S   HC   _H12    73     1.09718   111.09878    61.65468
   53    51 S   HC   _H13    74     1.09871   109.39802   -54.75487
   54    50 S   CA   _C15    46     1.41198   120.14606   143.47649
   55    54 S   CA   _C20    47     1.40641   120.24406  -178.95995
   56    55 S   HA   _H19    48     1.08844   119.91751   178.15591
   57    54 S   CT   _C14    60     1.50822   122.69136     1.22796
   58    57 S   HC   _H16    61     1.09480   109.27219   133.77421
   59    57 S   HC   _H17    62     1.09561   107.33354  -112.28369
   60    55 S   CA   _C19    49     1.39287   121.30081    -2.57496
   61    60 S   HA   _H18    50     1.08500   118.03535  -179.75451
   62    57 S   CT   _C13    63     1.52579   115.03466     8.50406
   63    62 S   HC   _H6_    64     1.09655   109.85820  -162.81662
   64    60 S   CA   _C18    51     1.38987   119.67154    -1.22876
   65    33 S   CT   _C12    65     1.54645   118.17627  -161.00613
   66    65 S   HC   _H5_    66     1.10586   102.43888  -174.04767
   67    62 S   NP   _N4_    67     1.54533   112.61104    80.95955
   68    67 S   H    _H3_    68     1.02914   104.58688   176.84899
   69    50 S   CA   _C17    52     1.41288   122.76100   -41.40002
   70    64 S   OS   _O33    55     1.37178   125.34533  -177.70706
   71    67 S   CT   _C5_    69     1.51247   115.72418   -68.21944
   72    71 S   HC   _H10    70     1.09571   106.98490  -168.72411
   73    71 S   HC   _H11    71     1.09435   107.93752    75.07607
   74    67 S   CT   _C4_    75     1.50508   114.18777    63.99257
   75    74 S   HC   _H7_    76     1.09164   109.27423   -73.09784
   76    74 S   HC   _H8_    77     1.09118   108.03099    48.79951
   77    74 S   HC   _H9_    78     1.09355   107.70965   167.11586
   78    69 S   OH   _O34    53     1.37444   119.50850    -2.73538
   79    78 S   HO   _H23    54     0.97373   107.67840   178.91357
   80    70 S   CT   _C21    56     1.42281   116.96094    -1.40611
   81    80 S   HC   _H20    57     1.09427   107.73455  -179.35048
   82    80 S   HC   _H21    58     1.09496   111.11203    62.92789
   83    80 S   HC   _H22    59     1.09500   111.15522   -61.59829
  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   9   5   4   3
  16   7   2   1   1  14  10   5   6  13   5   4   3   2   1   1
  18  19  13   6   5  14  10   4  12   5   4   6   3  12   6   8
   6   1   8   7   4   5   6   2   1   3   2   1   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    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    62    65    66    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    49    50    57    62    63    65    66    67    51    41    45  
   38    39    49    62    65    66    41  
   36    37  
   37  
    0  
   39    40    42    43    44    49    62    65    66    41    45    46    47    48  
   40    42    43    44    49    50    65    51    41    45  
   42    43    44    49    41  
   45    46    47    48    42    65  
   43    44    49    50    54    69    62    65    66    71    51    52    53  
   44    49    50    65    51  
   49    50    65    51  
   46    47    48  
   47    48  
   48  
    0  
   50    54    55    64    69    78    57    62    63    65    66    67    71    72    73    51    52    53  
   54    55    56    60    64    69    78    79    70    57    58    59    62    65    66    71    51    52    53  
   52    53    74    54    62    65    66    67    68    69    71    72    73  
   53    65    67    71    72    73  
   65    67    71    72    73  
   55    56    60    61    64    69    78    57    58    59    62    63    65    67  
   56    60    61    64    69    70    57    58    59    62  
   60    61    64    57  
   58    59    62    63    65    66    67    68    71    74    60    69  
   59    62    63    65    67  
   62    63    65    67  
   61    64    69    78    70    80  
   64    69    70  
   63    65    66    67    68    71    72    73    74    75    76    77  
   65    66    67    68    71    74  
   69    78    79    70    80    81    82    83  
   66    67    68    71    74    69  
   67  
   68    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   78    79    70    80  
   80    81    82    83    78  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   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   317.000  1.510
   33    65   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   317.000  1.510
   49    65   268.000  1.529
   49    51   268.000  1.529
   50    54   469.000  1.400
   50    69   469.000  1.400
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    69   469.000  1.400
   64    70   450.000  1.364
   69    78   450.000  1.364
   78    79   553.000  0.945
   70    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    67   367.000  1.471
   65    66   340.000  1.090
   67    68   434.000  1.010
   67    71   367.000  1.471
   67    74   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   41    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    65    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    65    49    58.35000  112.70000
   33    65    62    58.35000  112.70000
   33    65    66    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    45    90.00000  111.18400
   39    42    43    45.00000  110.52000
   39    42    44    45.00000  110.52000
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    70.00000  112.17500
   42    49    65    58.35000  112.70000
   42    49    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    50    54    70.00000  120.00000
   49    50    69    70.00000  120.00000
   49    65    62    58.35000  112.70000
   49    65    66    37.50000  110.70000
   49    51    71    58.35000  112.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   50    54    55    63.00000  120.00000
   50    54    57    70.00000  120.00000
   50    69    64    63.00000  120.00000
   50    69    78    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.17500
   55    60    61    35.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    69    63.00000  120.00000
   60    64    70    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    69    78    70.00000  120.00000
   64    70    80    75.00000  111.00000
   69    50    54    63.00000  120.00000
   69    78    79    35.00000  113.00000
   70    64    69    70.00000  120.00000
   70    80    81    35.00000  109.50000
   70    80    82    35.00000  109.50000
   70    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   57    54    55    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    65    58.35000  112.70000
   57    62    67    80.00000  111.20000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    67    68    35.00000  109.50000
   62    67    71    75.00000  113.01200
   62    67    74    75.00000  113.01200
   65    33    34    37.50000  110.70000
   65    33    38    70.00000  112.02700
   65    49    50    70.00000  112.17500
   65    62    63    37.50000  110.70000
   67    62    63    35.00000  109.50000
   67    62    65    80.00000  111.20000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    51    80.00000  111.20000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   71    67    68    35.00000  109.50000
   71    51    52    37.50000  110.70000
   71    51    53    37.50000  110.70000
   73    71    72    33.00000  107.80000
   51    49    50    70.00000  112.17500
   51    49    65    58.35000  112.70000
   51    71    72    37.50000  110.70000
   51    71    73    37.50000  110.70000
   53    51    52    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    71    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    65    49   0.44750  1.0 1.0
   29    33    65    49  -0.17800 -1.0 2.0
   29    33    65    49   0.20200  1.0 3.0
   29    33    65    62   0.44750  1.0 1.0
   29    33    65    62  -0.17800 -1.0 2.0
   29    33    65    62   0.20200  1.0 3.0
   29    33    65    66   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    45   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    65    49   0.15000  1.0 3.0
   34    33    65    62   0.15000  1.0 3.0
   34    33    65    66   0.15000  1.0 3.0
   38    33    65    49   0.34400  1.0 1.0
   38    33    65    49   0.09450 -1.0 2.0
   38    33    65    49   0.11100  1.0 3.0
   38    33    65    62   0.34400  1.0 1.0
   38    33    65    62   0.09450 -1.0 2.0
   38    33    65    62   0.11100  1.0 3.0
   38    33    65    66   0.15000  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39    42    44   0.00000  1.0 1.0
   38    39   -42    49   0.09850  1.0 1.0
   38    39   -42    49   0.15250 -1.0 2.0
   38    39   -42    49  -0.50650  1.0 3.0
   38    41    45    46   0.08050  1.0 3.0
   38    41    45    47   0.08050  1.0 3.0
   38    41    45    48   0.08050  1.0 3.0
   39    38    41    45  -2.26850  1.0 1.0
   39    38    41    45   3.39050 -1.0 2.0
   39    42    49    50   0.21200  1.0 1.0
   39    42    49    50   0.16900 -1.0 2.0
   39    42    49    50  -1.15100  1.0 3.0
   39    42    49    65   0.34400  1.0 1.0
   39    42    49    65   0.09450 -1.0 2.0
   39    42    49    65   0.11100  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    50    54   0.04150 -1.0 2.0
   42    49    50    69   0.04150 -1.0 2.0
   42    49   -65    33   0.56750  1.0 1.0
   42    49   -65    33  -0.07550 -1.0 2.0
   42    49   -65    33   0.20000  1.0 3.0
   42    49    65    62   0.56750  1.0 1.0
   42    49    65    62  -0.07550 -1.0 2.0
   42    49    65    62   0.20000  1.0 3.0
   42    49    65    66   0.15000  1.0 3.0
   42    49    51    71   0.56750  1.0 1.0
   42    49    51    71  -0.07550 -1.0 2.0
   42    49    51    71   0.20000  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   43    42    49    50   0.43200  1.0 3.0
   43    42    49    65   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   44    42    49    50   0.43200  1.0 3.0
   44    42    49    65   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    57   3.62500 -1.0 2.0
   49    50    69    64   3.62500 -1.0 2.0
   49    50    69    78   3.62500 -1.0 2.0
   50    49    65    33  -0.03700  1.0 1.0
   50    49    65    33   0.37200 -1.0 2.0
   50    49    65    33  -0.47300  1.0 3.0
   50    49    65    62  -0.03700  1.0 1.0
   50    49    65    62   0.37200 -1.0 2.0
   50    49    65    62  -0.47300  1.0 3.0
   50    49    65    66   0.43200  1.0 3.0
   50    49    51    71  -0.03700  1.0 1.0
   50    49    51    71   0.37200 -1.0 2.0
   50    49    51    71  -0.47300  1.0 3.0
   50    49    51    52   0.43200  1.0 3.0
   50    49    51    53   0.43200  1.0 3.0
   50    54    55    56   3.62500 -1.0 2.0
   50    54    55    60   3.62500 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54   -57    62   0.04150 -1.0 2.0
   50    69    78    79   0.84100 -1.0 2.0
   54    50    69    64   3.62500 -1.0 2.0
   54    50    69    78   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55   -60    64   3.62500 -1.0 2.0
   54    57    62    63   0.43200  1.0 3.0
   54    57    62    65  -0.03700  1.0 1.0
   54    57    62    65   0.37200 -1.0 2.0
   54    57    62    65  -0.47300  1.0 3.0
   54    57    62    67   1.24050  1.0 1.0
   54    57    62    67   0.48100 -1.0 2.0
   54    57    62    67   1.08150  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62   0.04150 -1.0 2.0
   55    60    64    69   3.62500 -1.0 2.0
   55    60    64    70   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64   -69    50   3.62500 -1.0 2.0
   60    64    69    78   3.62500 -1.0 2.0
   60    64    70    80   1.63200 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   61    60    64    70   3.62500 -1.0 2.0
   64    69    78    79   0.84100 -1.0 2.0
   64    70    80    81   0.08050  1.0 3.0
   64    70    80    82   0.08050  1.0 3.0
   64    70    80    83   0.08050  1.0 3.0
   69    50   -54    55   3.62500 -1.0 2.0
   69    50    54    57   3.62500 -1.0 2.0
   69    64    70    80   1.63200 -1.0 2.0
   70    64    69    50   3.62500 -1.0 2.0
   70    64    69    78   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   57    62    65    33   0.56750  1.0 1.0
   57    62    65    33  -0.07550 -1.0 2.0
   57    62    65    33   0.20000  1.0 3.0
   57    62   -65    49   0.56750  1.0 1.0
   57    62   -65    49  -0.07550 -1.0 2.0
   57    62   -65    49   0.20000  1.0 3.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    67    68   0.17350  1.0 3.0
   57    62    67    71   0.47100  1.0 1.0
   57    62    67    74   0.47100  1.0 1.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    62    67   0.19200  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    57    62    67   0.19200  1.0 3.0
   62    67    71    72   0.15000  1.0 3.0
   62    67    71    73   0.15000  1.0 3.0
   62    67    71    51   0.47100  1.0 1.0
   62    67    74    75   0.15000  1.0 3.0
   62    67    74    76   0.15000  1.0 3.0
   62    67    74    77   0.15000  1.0 3.0
   63    62    65    33   0.15000  1.0 3.0
   63    62    65    49   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    67    68   0.13050  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   63    62    67    74   0.15000  1.0 3.0
   65    33   -38    39   0.09850  1.0 1.0
   65    33   -38    39   0.15250 -1.0 2.0
   65    33   -38    39  -0.50650  1.0 3.0
   65    33    38    41   0.09700  1.0 1.0
   65    33    38    41   0.15600 -1.0 2.0
   65    33    38    41  -0.50800  1.0 3.0
   65    49   -50    54   0.04150 -1.0 2.0
   65    49    50    69   0.04150 -1.0 2.0
   65    49    51    71   0.56750  1.0 1.0
   65    49    51    71  -0.07550 -1.0 2.0
   65    49    51    71   0.20000  1.0 3.0
   65    49    51    52   0.15000  1.0 3.0
   65    49    51    53   0.15000  1.0 3.0
   65    62    67    68   0.17350  1.0 3.0
   65    62   -67    71   0.47100  1.0 1.0
   65    62    67    74   0.47100  1.0 1.0
   67    62    65    33   1.36600  1.0 1.0
   67    62    65    33  -0.11450 -1.0 2.0
   67    62    65    33   0.24250  1.0 3.0
   67    62    65    49   1.36600  1.0 1.0
   67    62    65    49  -0.11450 -1.0 2.0
   67    62    65    49   0.24250  1.0 3.0
   67    62    65    66   0.19200  1.0 3.0
   67    71   -51    49   1.36600  1.0 1.0
   67    71   -51    49  -0.11450 -1.0 2.0
   67    71   -51    49   0.24250  1.0 3.0
   67    71    51    52   0.19200  1.0 3.0
   67    71    51    53   0.19200  1.0 3.0
   68    67    71    72   0.13050  1.0 3.0
   68    67    71    73   0.13050  1.0 3.0
   68    67    71    51   0.17350  1.0 3.0
   68    67    74    75   0.13050  1.0 3.0
   68    67    74    76   0.13050  1.0 3.0
   68    67    74    77   0.13050  1.0 3.0
   71    67    74    75   0.15000  1.0 3.0
   71    67    74    76   0.15000  1.0 3.0
   71    67    74    77   0.15000  1.0 3.0
   72    71    51    49   0.15000  1.0 3.0
   72    71    51    52   0.15000  1.0 3.0
   72    71    51    53   0.15000  1.0 3.0
   73    71    51    49   0.15000  1.0 3.0
   73    71    51    52   0.15000  1.0 3.0
   73    71    51    53   0.15000  1.0 3.0
   51    49    50    54   0.04150 -1.0 2.0
   51    49    50    69   0.04150 -1.0 2.0
   51    49    65    33   0.56750  1.0 1.0
   51    49    65    33  -0.07550 -1.0 2.0
   51    49    65    33   0.20000  1.0 3.0
   51    49   -65    62   0.56750  1.0 1.0
   51    49   -65    62  -0.07550 -1.0 2.0
   51    49   -65    62   0.20000  1.0 3.0
   51    49    65    66   0.15000  1.0 3.0
   74    67    71    72   0.15000  1.0 3.0
   74    67    71    73   0.15000  1.0 3.0
   74    67    71    51   0.47100  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   54    69    50    49   4.00000 -1.0 2.0
   55    57    54    50   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   64    61    60    55   1.10000 -1.0 2.0
   69    70    64    60   4.00000 -1.0 2.0
   64    78    69    50   4.00000 -1.0 2.0
END
