* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    225     429
    1     0 S   NP   _N1_     1    27.93995    94.63473   -23.61279
    2     1 S   H    _HN1     2     1.02781   103.73614  -117.85291
    3     1 S   H    _H1_     3     1.02954    86.49497    -9.79689
    4     1 S   H    _H2_     4     1.02840    24.03930   138.98352
    5     1 S   CT   _CA1     5     1.50153   131.52253   104.58358
    6     5 S   HC   _HA1     6     1.09567   105.16039    73.39032
    7     5 S   CO3  _C1_     7     1.53717   112.54667   -46.73813
    8     7 S   O2Z  _O11     8     1.26389   115.03193   -37.97498
    9     7 S   O2Z  _O12     9     1.26229   115.04326   141.49304
   10     5 S   CT   _CB1    10     1.53146   107.43954  -168.55848
   11    10 S   HC   HB11    11     1.09829   109.26649   -48.60117
   12    10 S   HC   HB12    12     1.09815   110.41739    67.95731
   13    10 S   CT   _CG1    13     1.53064   112.81455  -169.61916
   14    13 S   HC   HG11    14     1.09553   110.65047   -67.16260
   15    13 S   HC   HG12    15     1.09668   109.78695    52.02145
   16    13 S   C    _CD1    16     1.51911   112.30717   172.33848
   17    16 S   O    _OE1    17     1.22744   123.27174     5.64083
   18    16 S   N    _N2_    18     1.38544   111.72831  -174.46285
   19    18 S   H    _HN2    19     1.01564   118.88539     3.81064
   20    18 S   CT1  _CA2    20     1.45951   123.03545   176.03909
   21    20 S   HC   _HA2    21     1.09720   109.06161    23.65199
   22    20 S   C    _C2_    22     1.52930   106.90086   -93.33469
   23    22 S   O    _O2_    23     1.22973   123.05357   -26.59099
   24    20 S   CT   _CB2    32     1.53109   111.91309   147.14141
   25    24 S   HC   HB21    33     1.09615   109.94767    50.92516
   26    24 S   HC   HB22    34     1.09513   110.92738   169.97532
   27    22 S   N    _N3_    24     1.38488   112.53092   156.16612
   28    27 S   H    _HN3    25     1.01654   120.36068    -2.26053
   29    24 S   S    _SG2    35     1.82337   111.01168   -70.14554
   30    27 S   CT   _CA3    26     1.45360   122.51610   178.56974
   31    30 S   HC   HA31    27     1.09566   107.84420   -55.17953
   32    30 S   HC   HA32    28     1.09561   107.59003    61.17178
   33    29 S   CT   _C22    36     1.81996    98.67329   161.46926
   34    33 S   HC   _H3_    37     1.09577   109.18370    59.51586
   35    33 S   HC   _H4_    38     1.09511   109.19917   -56.46457
   36    30 S   CO3  _C3_    29     1.52898   114.28457  -177.09242
   37    36 S   O2Z  _O31    30     1.26341   116.03849     0.22728
   38    36 S   O2Z  _O32    31     1.26431   114.42027  -179.81548
   39    33 S   CM   _C12    39     1.51751   110.47851  -179.23639
   40    39 S   CMA  _C13    40     1.36547   123.26013    90.83639
   41    40 S   OM   _O20    41     1.26823   125.39167   176.55360
   42    39 S   CT   _C21    77     1.51516   113.31655   -91.10156
   43    42 S   HC   _H42    78     1.09527   109.99116   -60.55352
   44    42 S   HC   _H43    79     1.09506   110.23431    58.90701
   45    42 S   HC   _H44    80     1.09386   113.60703   179.09648
   46    40 S   OS   _O25    42     1.41928   111.10545    -2.67430
   47    46 S   CT   _C19    43     1.44891   117.70828  -145.54837
   48    47 S   HC   _H38    44     1.09641   110.95211   -38.74642
   49    47 S   CT   _C14    45     1.56191   104.26531    80.94161
   50    49 S   HC   _H31    46     1.09893   107.93468    64.40211
   51    49 S   HC   _H32    47     1.09754   109.50510   -48.53665
   52    47 S   CT   _C18    61     1.57031   106.94684  -156.42389
   53    52 S   HC   _H37    62     1.10009   108.10142   -76.43461
   54    49 S   CM   _C6_    48     1.48005   117.90466  -170.81365
   55    52 S   CM   _C8_    63     1.51160   119.43723    44.15872
   56    54 S   CM   _C4_    49     1.33259   128.31234  -114.83120
   57    56 S   HC   _H27    50     1.07994   124.42980    -1.95445
   58    55 S   CO4  _C10    64     1.48314   108.22212   154.73799
   59    58 S   O    _O22    65     1.21765   127.38027   164.37275
   60    55 S   CM   _C11    67     1.33702   133.73696   -23.10319
   61    60 S   HC   _H29    68     1.08133   123.02529    -1.37800
   62    60 S   HC   _H30    69     1.08621   121.43643   178.70442
   63    56 S   CT   _C16    51     1.48182   110.55888   165.24152
   64    63 S   HC   _H35    52     1.09424   111.54641   133.02209
   65    79 S   OS   _O24    66     1.43612   107.22513   111.91729
   66    63 S   CT   _C15    53     1.55477   112.27213  -101.25269
   67    66 S   HC   _H33    54     1.09709   110.03448   -65.64526
   68    66 S   HC   _H34    55     1.09687   109.04199   177.65223
   69    63 S   OS   _O23    74     1.43640   102.85903    16.62265
   70    66 S   CM   _C7_    56     1.52803   112.00251    56.89346
   71    54 S   CO4  _C9_    75     1.46895   125.41541    63.13155
   72    71 S   O    _O21    76     1.21808   125.92366     6.17581
   73    70 S   CM   _C5_    57     1.34960   119.07357   -74.89288
   74    73 S   HC   _H28    58     1.08949   118.36881   -12.48994
   75    70 S   CT   _C20    70     1.50357   115.81570    97.88894
   76    75 S   HC   _H39    71     1.09313   111.23005   -65.92076
   77    75 S   HC   _H40    72     1.09343   112.73187   172.26031
   78    75 S   HC   _H41    73     1.09547   109.81683    53.89676
   79    73 S   CT   _C17    59     1.49631   126.35990   156.69544
   80    79 S   HC   _H36    60     1.09716   111.25282    -5.43776
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  16   8
  13   5   4  14   7   8   9  10   5   8   3   4   1   1  10   6
   5  12   5   4   3   8   1   1   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    79    52    53    55  
   48    49    50    51    54    56    73    79    80    52    53    55    58    65    60    71  
   49    50    51    54    79    52    53    55  
   50    51    54    56    57    63    79    52    53    55    69    71    72  
   51    54    56    52    71  
   54    56    52    71  
   53    55    58    59    65    60    61    62    54    70    73    74    79    80  
   55    58    65    60    73    79    80  
   56    57    63    64    66    69    71    72  
   58    59    65    60    61    62    73    79    80  
   57    63    64    66    67    68    70    69    71    72  
   63    64    66    69    71  
   59    65    60    61    62    73    79    80  
   65    60    79  
   61    62    65    79  
   62  
    0  
   64    66    67    68    70    73    75    69    71    72  
   66    67    68    70    69    71  
   70    73    74    79    80  
   67    68    70    73    74    79    75    76    77    78    69    71  
   68    70    73    75    69  
   70    73    75    69  
   71    72    70  
   73    74    79    80    75    76    77    78  
   72  
    0  
   74    79    80    75    76    77    78  
   79    80    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   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    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   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    56   549.000  1.340
   54    71   320.000  1.462
   56    57   340.000  1.080
   56    63   317.000  1.510
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.510
   70    73   549.000  1.340
   70    75   317.000  1.510
   73    74   340.000  1.080
   73    79   317.000  1.510
   79    80   340.000  1.090
   79    52   268.000  1.529
   79    65   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    65   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    71   214.000  1.327
   71    72   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    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  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    70.00000  112.02700
   47    52    79    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    70.00000  124.00000
   49    54    71    65.00000  116.34900
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    63    70.00000  124.00000
   54    71    69    90.00000  111.29400
   54    71    72    80.00000  123.72100
   56    63    64    35.00000  109.50000
   56    63    66    70.00000  112.02700
   56    63    69    85.00000  110.90400
   63    56    57    35.00000  117.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    70    70.00000  112.02700
   63    69    71    83.00000  116.90000
   66    63    64    37.50000  110.70000
   66    70    73    70.00000  124.00000
   66    70    75    65.00000  117.92700
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    73    74    35.00000  120.00000
   70    73    79    70.00000  124.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   73    79    80    35.00000  109.50000
   73    79    52    70.00000  112.02700
   73    79    65    85.00000  110.90400
   79    73    74    35.00000  117.00000
   79    52    53    37.50000  110.70000
   79    52    55    70.00000  112.02700
   79    65    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    79    80    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    65    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   65    79    80    35.00000  109.50000
   65    79    52    50.00000  109.50000
   65    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   75    70    73    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    66    50.00000  109.50000
   69    71    72    83.00000  123.40000
   71    54    56    65.00000  118.96000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54   0.61850  1.0 1.0
   46    47    49    54  -0.22750 -1.0 2.0
   46    47    49    54   0.15300  1.0 3.0
   46    47    52    79   0.62750  1.0 1.0
   46    47    52    79  -0.30950 -1.0 2.0
   46    47    52    79   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.09850  1.0 1.0
   47    49    54    56   0.15250 -1.0 2.0
   47    49    54    56  -0.50650  1.0 3.0
   47    49    54    71   0.09700  1.0 1.0
   47    49    54    71   0.15600 -1.0 2.0
   47    49    54    71  -0.50800  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    79   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    79   0.56750  1.0 1.0
   49    47    52    79  -0.07550 -1.0 2.0
   49    47    52    79   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   7.00000 -1.0 2.0
   49    54    56    63   7.00000 -1.0 2.0
   49    54    71    69  -0.15000  1.0 1.0
   49    54    71    69   0.89550 -1.0 2.0
   49    54    71    69  -0.06900  1.0 3.0
   49    54    71    72  -0.64400  1.0 1.0
   49    54    71    72   0.26850 -1.0 2.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    71   0.15000  1.0 3.0
   51    49    54    56   0.00000  1.0 1.0
   51    49    54    71   0.15000  1.0 3.0
   54    56    63    64   0.00000  1.0 1.0
   54    56    63    66   0.09850  1.0 1.0
   54    56    63    66   0.15250 -1.0 2.0
   54    56    63    66  -0.50650  1.0 3.0
   54    56   -63    69   0.39000  1.0 1.0
   54    56   -63    69  -0.05800 -1.0 2.0
   54    56   -63    69  -0.55150  1.0 3.0
   56    54   -71    69  -0.56150  1.0 1.0
   56    54   -71    69   2.19150 -1.0 2.0
   56    54    71    72   1.00000 -1.0 2.0
   56    63    66    67   0.15000  1.0 3.0
   56    63    66    68   0.15000  1.0 3.0
   56    63    66    70   0.31000  1.0 1.0
   56    63    66    70   0.14700 -1.0 2.0
   56    63    66    70   0.07550  1.0 3.0
   56    63   -69    71  -0.82050  1.0 1.0
   56    63   -69    71   0.00600 -1.0 2.0
   56    63   -69    71   0.04400  1.0 3.0
   57    56    63    64   0.33100  1.0 3.0
   57    56    63    66   0.00000  1.0 1.0
   57    56    63    69   0.00000  1.0 1.0
   63    66    70    73   0.09850  1.0 1.0
   63    66    70    73   0.15250 -1.0 2.0
   63    66    70    73  -0.50650  1.0 3.0
   63    66    70    75   0.46850  1.0 1.0
   63    66    70    75   0.08550 -1.0 2.0
   63    66    70    75   0.09800  1.0 3.0
   63    69   -71    54   2.00000 -1.0 2.0
   63    69    71    72   3.00000 -1.0 2.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    70   0.15000  1.0 3.0
   64    63    69    71   0.08050  1.0 3.0
   66    63    69    71  -0.25900  1.0 1.0
   66    63    69    71  -0.47000 -1.0 2.0
   66    63    69    71   0.11750  1.0 3.0
   66    70    73    74   7.00000 -1.0 2.0
   66    70    73    79   7.00000 -1.0 2.0
   66    70    75    76   0.34800  1.0 3.0
   66    70    75    77   0.34800  1.0 3.0
   66    70    75    78   0.34800  1.0 3.0
   67    66    70    73   0.00000  1.0 1.0
   67    66    70    75   0.34800  1.0 3.0
   68    66    70    73   0.00000  1.0 1.0
   68    66    70    75   0.34800  1.0 3.0
   70    73    79    80   0.00000  1.0 1.0
   70    73    79    52   0.09850  1.0 1.0
   70    73    79    52   0.15250 -1.0 2.0
   70    73    79    52  -0.50650  1.0 3.0
   70    73    79    65   0.39000  1.0 1.0
   70    73    79    65  -0.05800 -1.0 2.0
   70    73    79    65  -0.55150  1.0 3.0
   73    70    75    76   0.00000  1.0 1.0
   73    70    75    77   0.00000  1.0 1.0
   73    70    75    78   0.00000  1.0 1.0
   73    79    52    47   0.34400  1.0 1.0
   73    79    52    47   0.09450 -1.0 2.0
   73    79    52    47   0.11100  1.0 3.0
   73    79    52    53   0.15000  1.0 3.0
   73    79    52    55   0.31000  1.0 1.0
   73    79    52    55   0.14700 -1.0 2.0
   73    79    52    55   0.07550  1.0 3.0
   73    79    65    58  -0.82050  1.0 1.0
   73    79    65    58   0.00600 -1.0 2.0
   73    79    65    58   0.04400  1.0 3.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    52   0.00000  1.0 1.0
   74    73    79    65   0.00000  1.0 1.0
   79    52   -55    58   0.09700  1.0 1.0
   79    52   -55    58   0.15600 -1.0 2.0
   79    52   -55    58  -0.50800  1.0 3.0
   79    52    55    60   0.09850  1.0 1.0
   79    52    55    60   0.15250 -1.0 2.0
   79    52    55    60  -0.50650  1.0 3.0
   80    79    52    47   0.15000  1.0 3.0
   80    79    52    53   0.15000  1.0 3.0
   80    79    52    55   0.15000  1.0 3.0
   80    79    65    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.34400  1.0 1.0
   52    47    49    54   0.09450 -1.0 2.0
   52    47    49    54   0.11100  1.0 3.0
   52    79   -65    58  -0.25900  1.0 1.0
   52    79   -65    58  -0.47000 -1.0 2.0
   52    79   -65    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    65  -0.15000  1.0 1.0
   52    55   -58    65   0.89550 -1.0 2.0
   52    55   -58    65  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -65    79   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    65    79   3.00000 -1.0 2.0
   65    79    52    47   0.62750  1.0 1.0
   65    79    52    47  -0.30950 -1.0 2.0
   65    79    52    47   0.27300  1.0 3.0
   65    79    52    53   0.23400  1.0 3.0
   65    79   -52    55   0.61850  1.0 1.0
   65    79   -52    55  -0.22750 -1.0 2.0
   65    79   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    65  -0.56150  1.0 1.0
   60    55    58    65   2.19150 -1.0 2.0
   75    70    73    74   7.00000 -1.0 2.0
   75    70    73    79   7.00000 -1.0 2.0
   69    63    66    67   0.23400  1.0 3.0
   69    63    66    68   0.23400  1.0 3.0
   69    63    66    70   0.61850  1.0 1.0
   69    63    66    70  -0.22750 -1.0 2.0
   69    63    66    70   0.15300  1.0 3.0
   71    54    56    57   7.00000 -1.0 2.0
   71    54   -56    63   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   49    71    54    56   1.10000 -1.0 2.0
   63    57    56    54   1.10000 -1.0 2.0
   66    75    70    73   1.10000 -1.0 2.0
   79    74    73    70   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    65    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
   54    69    71    72  10.50000 -1.0 2.0
END
