* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    169    265     504
    1     0 S   NP   _N1_     1    28.68416    94.81255   -21.40713
    2     1 S   H    _HN1     2     1.02838    30.97577   155.11317
    3     1 S   H    _H1_     3     1.02778    89.68973   -77.59236
    4     1 S   H    _H2_     4     1.02959    90.17013    30.73889
    5     1 S   CT   _CA1     5     1.50151   141.72838   155.21512
    6     5 S   HC   _HA1     6     1.09569   105.22735    59.17961
    7     5 S   CO3  _C1_     7     1.53845   112.30106   -61.04788
    8     7 S   O2Z  _O11     8     1.26379   115.02491   -43.10846
    9     7 S   O2Z  _O12     9     1.26239   114.93842   135.99135
   10     5 S   CT   _CB1    10     1.53098   107.40323   177.15476
   11    10 S   HC   HB11    11     1.09820   109.45632   -49.03676
   12    10 S   HC   HB12    12     1.09827   110.33801    67.54120
   13    10 S   CT   _CG1    13     1.53027   112.72723  -170.13169
   14    13 S   HC   HG11    14     1.09528   110.36140   -60.50374
   15    13 S   HC   HG12    15     1.09629   110.13573    58.61918
   16    13 S   C    _CD1    16     1.51856   112.13091   178.76679
   17    16 S   O    _OE1    17     1.22737   123.13347   -11.32112
   18    16 S   N    _N2_    18     1.38609   111.76641   169.35367
   19    18 S   H    _HN2    19     1.01574   119.04189     1.42615
   20    18 S   CT1  _CA2    20     1.46334   123.42047  -177.74371
   21    20 S   HC   _HA2    21     1.09730   109.40261   -11.31616
   22    20 S   C    _C2_    22     1.53391   108.35864  -127.07110
   23    22 S   O    _O2_    23     1.23015   122.28057  -145.65064
   24    20 S   CT   _CB2    32     1.53478   111.24287   110.70682
   25    24 S   HC   HB21    33     1.09573   109.47647    55.80700
   26    24 S   HC   HB22    34     1.09489   110.70233   174.61985
   27    22 S   N    _N3_    24     1.38523   113.35525    41.71912
   28    27 S   H    _HN3    25     1.01526   118.88046    -0.60361
   29    24 S   S    _SG2    35     1.82742   111.39153   -65.65638
   30    27 S   CT   _CA3    26     1.45449   123.46098   175.10035
   31    30 S   HC   HA31    27     1.09523   109.23558    24.40136
   32    30 S   HC   HA32    28     1.09495   107.12101   141.40679
   33    29 S   CT   _C20    36     1.83935   100.07122   153.67883
   34    33 S   HC   _H8_    37     1.09587   104.91691   -44.71523
   35    30 S   CO3  _C3_    29     1.52927   113.11979   -99.07400
   36    35 S   O2Z  _O31    30     1.26401   115.40790   -44.33091
   37    35 S   O2Z  _O32    31     1.26356   114.97992   136.60404
   38    33 S   CM   _C7_    38     1.54069   111.37783  -160.82355
   39    33 S   CT   _C21    84     1.52908   111.82071    70.68388
   40    39 S   HC   _H28    85     1.09446   112.87645    55.97617
   41    39 S   HC   _H29    86     1.09561   111.00036   -64.77023
   42    39 S   HC   _H30    87     1.09603   110.54610   176.69246
   43    38 S   CMA  _C8_    39     1.37250   125.13360   -63.15635
   44    43 S   OM   _O37    40     1.26992   124.58154    -0.53668
   45    38 S   CT   _C6_    69     1.52994   113.01148   121.73537
   46    45 S   HC   _H12    70     1.09816   110.15496    24.65326
   47    45 S   HC   _H13    71     1.09607   107.07362   135.99475
   48    43 S   OS   _O33    41     1.43636   112.15254   179.62675
   49    48 S   CT   _C9_    42     1.42676   115.29069  -158.75747
   50    49 S   HC   _H4_    43     1.10095   109.90588    34.28729
   51    49 S   CT   _C10    44     1.52091   112.85568   -88.61184
   52    51 S   HC   _H14    45     1.09340   113.38305    69.39023
   53    51 S   HC   _H15    46     1.09558   111.01506   -50.45407
   54    51 S   CT   _C11    47     1.51325   102.68856  -170.40630
   55    54 S   HC   _H16    48     1.09327   113.56984   156.37041
   56    54 S   HC   _H17    49     1.09508   111.69345   -78.81165
   57    54 S   NP   _N4_    50     1.51850   104.78171    35.78964
   58    57 S   H    _H5_    51     1.02931   108.56242  -131.48599
   59    57 S   CT   _C15    52     1.50531   114.23831   106.34706
   60    59 S   HC   _H20    53     1.09536   106.57463   152.66475
   61    59 S   HC   _H21    54     1.09314   110.26453    33.67007
   62    59 S   CT   _C14    55     1.50934   103.44590   -89.26709
   63    62 S   HC   _H18    56     1.09538   111.06961    78.42718
   64    62 S   HC   _H19    57     1.09463   111.57553  -161.33039
   65    62 S   CT   _C13    58     1.52452   102.75581   -41.00752
   66    65 S   HC   _H7_    59     1.10166   106.98557   -74.83276
   67    65 S   CT   _C16    60     1.51746   112.21964   168.97154
   68    67 S   HC   _H22    61     1.09538   111.46361   -64.95064
   69    67 S   HC   _H23    62     1.09691   109.47990    55.18830
   70    49 S   CT   _C12    82     1.53898   115.38725   153.19863
   71    70 S   HC   _H6_    83     1.09719   109.52060   -88.02631
   72    67 S   OS   _O34    63     1.43058   108.19164   174.36347
   73    72 S   CO4  _C17    64     1.36378   115.62296  -172.33712
   74    73 S   O    _O35    65     1.22478   125.60762    11.04001
   75    73 S   CT   _C18    66     1.52997   109.93659  -167.13377
   76    75 S   CT   _C5_    67     1.56061   110.71771    49.97688
   77    76 S   HC   _H3_    68     1.09836   108.25640   -64.73748
   78    75 S   CT   _C19    76     1.53140   108.20663   -74.72605
   79    78 S   HC   _H24    77     1.09480   111.68389  -165.68303
   80    78 S   HC   _H25    78     1.09499   111.66458    71.99049
   81    78 S   HC   _H26    79     1.09686   110.71283   -47.83868
   82    75 S   OH   _O36    80     1.42762   107.36810   168.69225
   83    82 S   HO   _H27    81     0.97293   107.97535    60.63079
   84    76 S   CT   _C4_    72     1.53559   111.52364   177.83698
   85    84 S   HC   _H9_    73     1.09476   111.68177   -65.31890
   86    84 S   HC   _H10    74     1.09097   111.15649   173.98367
   87    84 S   HC   _H11    75     1.09290   111.51331    55.75312
  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
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  16   8  11   6   5  11   5   4  12   7  10   6   5  10   5   4
   8   6   8   4   3   2   1   6  11   4  12  11   6   6   3   2
   1   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    76    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    75    76    77    45    46    47    84    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    76    45    46    47    70  
   48    49    45  
   46    47    84    85    86    87    78    82    48    73    75    76    77  
   47    84    75    76    77  
   84    75    76    77  
   49    50    51    52    53    54    57    65    70    71  
   50    51    52    53    54    55    56    57    58    59    62    65    66    67    70    71  
   51    52    53    54    57    65    70    71  
   52    53    54    55    56    57    58    59    65    70    71  
   53    54    55    56    57    70  
   54    55    56    57    70  
   55    56    57    58    59    60    61    62    65    70    71  
   56    57    58    59    70  
   57    58    59    70  
   58    59    60    61    62    63    64    65    66    67    70    71  
   59    60    61    62    65    70    71  
   60    61    62    63    64    65    66    67    70    71  
   61    62    63    64    65    70  
   62    63    64    65    70  
   63    64    65    66    67    68    69    72    70    71  
   64    65    66    67    70  
   65    66    67    70  
   66    67    68    69    72    73    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    75    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76    78    82  
   74    75    76    77    84    78    79    80    81    82    83  
   75    76    78    82  
   76    77    84    85    86    87    78    79    80    81    82    83  
   77    84    85    86    87    78    79    80    81    82    83  
   84    85    86    87    78    82  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   58   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    70   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   367.000  1.471
   57    58   434.000  1.010
   57    59   367.000  1.471
   57    70   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   268.000  1.529
   75    78   268.000  1.529
   75    82   320.000  1.410
   76    77   340.000  1.090
   76    45   268.000  1.529
   76    84   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   70    71   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    76    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    70    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    70    57    80.00000  111.20000
   49    70    65    58.35000  112.70000
   49    70    71    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    80.00000  111.20000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    35.00000  109.50000
   54    57    59    75.00000  113.01200
   54    57    70    75.00000  113.01200
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    80.00000  111.20000
   57    70    65    80.00000  111.20000
   57    70    71    35.00000  109.50000
   59    57    58    35.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    70    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    50.00000  109.50000
   65    70    71    37.50000  110.70000
   67    65    66    37.50000  110.70000
   67    72    73    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    63.00000  111.10000
   73    75    78    63.00000  111.10000
   73    75    82    90.00000  109.61100
   75    73    74    80.00000  120.40000
   75    76    77    37.50000  110.70000
   75    76    45    58.35000  112.70000
   75    76    84    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    55.00000  108.50000
   76    45    46    37.50000  110.70000
   76    45    47    37.50000  110.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    76    77    37.50000  110.70000
   47    45    46    33.00000  107.80000
   84    76    77    37.50000  110.70000
   84    76    45    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    75    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    50.00000  109.50000
   82    75    78    50.00000  109.50000
   70    49    50    37.50000  110.70000
   70    49    51    58.35000  112.70000
   70    57    58    35.00000  109.50000
   70    57    59    75.00000  113.01200
   70    65    66    37.50000  110.70000
   70    65    67    58.35000  112.70000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    76   0.46850  1.0 1.0
   33    38    45    76   0.08550 -1.0 2.0
   33    38    45    76   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    76   0.09850  1.0 1.0
   43    38    45    76   0.15250 -1.0 2.0
   43    38    45    76  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    70  -0.46850  1.0 1.0
   43    48    49    70   0.09300 -1.0 2.0
   43    48    49    70  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    70    57   1.69300  1.0 1.0
   48    49    70    57  -0.48450 -1.0 2.0
   48    49    70    65   0.62750  1.0 1.0
   48    49    70    65  -0.30950 -1.0 2.0
   48    49    70    65   0.27300  1.0 3.0
   48    49    70    71   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.36600  1.0 1.0
   49    51   -54    57  -0.11450 -1.0 2.0
   49    51   -54    57   0.24250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    70    57   0.19200  1.0 3.0
   50    49    70    65   0.15000  1.0 3.0
   50    49    70    71   0.15000  1.0 3.0
   51    49   -70    57   1.36600  1.0 1.0
   51    49   -70    57  -0.11450 -1.0 2.0
   51    49   -70    57   0.24250  1.0 3.0
   51    49    70    65   0.56750  1.0 1.0
   51    49    70    65  -0.07550 -1.0 2.0
   51    49    70    65   0.20000  1.0 3.0
   51    49    70    71   0.15000  1.0 3.0
   51    54    57    58   0.17350  1.0 3.0
   51    54    57    59   0.47100  1.0 1.0
   51    54   -57    70   0.47100  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.19200  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.19200  1.0 3.0
   54    57    59    60   0.15000  1.0 3.0
   54    57    59    61   0.15000  1.0 3.0
   54    57    59    62   0.47100  1.0 1.0
   54    57   -70    49   0.47100  1.0 1.0
   54    57    70    65   0.47100  1.0 1.0
   54    57    70    71   0.15000  1.0 3.0
   55    54    57    58   0.13050  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    70   0.15000  1.0 3.0
   56    54    57    58   0.13050  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    70   0.15000  1.0 3.0
   57    59    62    63   0.19200  1.0 3.0
   57    59    62    64   0.19200  1.0 3.0
   57    59   -62    65   1.36600  1.0 1.0
   57    59   -62    65  -0.11450 -1.0 2.0
   57    59   -62    65   0.24250  1.0 3.0
   58    57    59    60   0.13050  1.0 3.0
   58    57    59    61   0.13050  1.0 3.0
   58    57    59    62   0.17350  1.0 3.0
   58    57    70    49   0.17350  1.0 3.0
   58    57    70    65   0.17350  1.0 3.0
   58    57    70    71   0.13050  1.0 3.0
   59    57    70    49   0.47100  1.0 1.0
   59    57   -70    65   0.47100  1.0 1.0
   59    57    70    71   0.15000  1.0 3.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.56750  1.0 1.0
   59    62    65    67  -0.07550 -1.0 2.0
   59    62    65    67   0.20000  1.0 3.0
   59    62   -65    70   0.56750  1.0 1.0
   59    62   -65    70  -0.07550 -1.0 2.0
   59    62   -65    70   0.20000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.15000  1.0 3.0
   62    65    67    72   0.62750  1.0 1.0
   62    65    67    72  -0.30950 -1.0 2.0
   62    65    67    72   0.27300  1.0 3.0
   62    65    70    49   0.56750  1.0 1.0
   62    65    70    49  -0.07550 -1.0 2.0
   62    65    70    49   0.20000  1.0 3.0
   62    65   -70    57   1.36600  1.0 1.0
   62    65   -70    57  -0.11450 -1.0 2.0
   62    65   -70    57   0.24250  1.0 3.0
   62    65    70    71   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    70   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    70   0.15000  1.0 3.0
   65    67    72    73  -0.25900  1.0 1.0
   65    67    72    73  -0.47000 -1.0 2.0
   65    67    72    73   0.11750  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.23400  1.0 3.0
   66    65    70    49   0.15000  1.0 3.0
   66    65    70    57   0.19200  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   67    65    70    49   0.56750  1.0 1.0
   67    65    70    49  -0.07550 -1.0 2.0
   67    65    70    49   0.20000  1.0 3.0
   67    65    70    57   1.36600  1.0 1.0
   67    65    70    57  -0.11450 -1.0 2.0
   67    65    70    57   0.24250  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    72    73    74   3.00000 -1.0 2.0
   67    72    73    75   1.63150  1.0 1.0
   67    72    73    75   2.92000 -1.0 2.0
   68    67    72    73   0.08050  1.0 3.0
   69    67    72    73   0.08050  1.0 3.0
   72    73    75    76   0.36750  1.0 3.0
   72    73    75    78   0.36750  1.0 3.0
   72    73    75    82   0.30750  1.0 1.0
   72    73    75    82   1.13850 -1.0 2.0
   72    73    75    82   0.38850  1.0 3.0
   73    75    76    77  -0.11250  1.0 3.0
   73    75    76    45  -0.95700  1.0 1.0
   73    75    76    45  -0.18200 -1.0 2.0
   73    75    76    45   0.29450  1.0 3.0
   73    75    76    84  -0.95700  1.0 1.0
   73    75    76    84  -0.18200 -1.0 2.0
   73    75    76    84   0.29450  1.0 3.0
   73    75    78    79  -0.11250  1.0 3.0
   73    75    78    80  -0.11250  1.0 3.0
   73    75    78    81  -0.11250  1.0 3.0
   73    75    82    83   0.91850  1.0 1.0
   73    75    82    83   0.57950  1.0 3.0
   74    73    75    76   0.30150 -1.0 2.0
   74    73    75    78   0.30150 -1.0 2.0
   74    73    75    82   0.30150 -1.0 2.0
   75    76    45    38   0.34400  1.0 1.0
   75    76    45    38   0.09450 -1.0 2.0
   75    76    45    38   0.11100  1.0 3.0
   75    76    45    46   0.15000  1.0 3.0
   75    76    45    47   0.15000  1.0 3.0
   75    76    84    85   0.15000  1.0 3.0
   75    76    84    86   0.15000  1.0 3.0
   75    76    84    87   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   76    75    82    83  -0.11600  1.0 1.0
   76    75    82    83  -0.09450 -1.0 2.0
   76    75    82    83   0.21250  1.0 3.0
   77    76    45    38   0.15000  1.0 3.0
   77    76    45    46   0.15000  1.0 3.0
   77    76    45    47   0.15000  1.0 3.0
   77    76    84    85   0.15000  1.0 3.0
   77    76    84    86   0.15000  1.0 3.0
   77    76    84    87   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    76    84    85   0.15000  1.0 3.0
   45    76    84    86   0.15000  1.0 3.0
   45    76    84    87   0.15000  1.0 3.0
   84    76    45    38   0.34400  1.0 1.0
   84    76    45    38   0.09450 -1.0 2.0
   84    76    45    38   0.11100  1.0 3.0
   84    76    45    46   0.15000  1.0 3.0
   84    76    45    47   0.15000  1.0 3.0
   78    75    76    77   0.15000  1.0 3.0
   78    75    76    45   0.56750  1.0 1.0
   78    75    76    45  -0.07550 -1.0 2.0
   78    75    76    45   0.20000  1.0 3.0
   78    75    76    84   0.56750  1.0 1.0
   78    75    76    84  -0.07550 -1.0 2.0
   78    75    76    84   0.20000  1.0 3.0
   78    75    82    83  -0.11600  1.0 1.0
   78    75    82    83  -0.09450 -1.0 2.0
   78    75    82    83   0.21250  1.0 3.0
   82    75    76    77   0.23400  1.0 3.0
   82    75    76    45   0.86500  1.0 1.0
   82    75    76    45  -0.17500 -1.0 2.0
   82    75    76    45   0.20800  1.0 3.0
   82    75    76    84   0.86500  1.0 1.0
   82    75    76    84  -0.17500 -1.0 2.0
   82    75    76    84   0.20800  1.0 3.0
   82    75    78    79   0.23400  1.0 3.0
   82    75    78    80   0.23400  1.0 3.0
   82    75    78    81   0.23400  1.0 3.0
   70    49    51    52   0.15000  1.0 3.0
   70    49    51    53   0.15000  1.0 3.0
   70    49   -51    54   0.56750  1.0 1.0
   70    49   -51    54  -0.07550 -1.0 2.0
   70    49   -51    54   0.20000  1.0 3.0
   70    57    59    60   0.15000  1.0 3.0
   70    57    59    61   0.15000  1.0 3.0
   70    57   -59    62   0.47100  1.0 1.0
   70    65    67    68   0.15000  1.0 3.0
   70    65    67    69   0.15000  1.0 3.0
   70    65    67    72   0.62750  1.0 1.0
   70    65    67    72  -0.30950 -1.0 2.0
   70    65    67    72   0.27300  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
