* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    136    195     390
    1     0 S   NP   _N1_     1    29.32359    97.68482   -22.50660
    2     1 S   H    _HN1     2     1.02831    45.11028   152.21511
    3     1 S   H    _H1_     3     1.02788   103.14902  -105.55988
    4     1 S   H    _H2_     4     1.02949    66.22960    -1.09932
    5     1 S   CT   _CA1     5     1.50074   143.07225    91.74041
    6     5 S   HC   _HA1     6     1.09587   105.22278   100.56611
    7     5 S   CO3  _C1_     7     1.53794   112.32515   -19.55554
    8     7 S   O2Z  _O11     8     1.26356   115.05283   -48.16143
    9     7 S   O2Z  _O12     9     1.26246   114.92069   130.95418
   10     5 S   CT   _CB1    10     1.53093   107.40322  -141.68316
   11    10 S   HC   HB11    11     1.09822   109.36546   -51.83670
   12    10 S   HC   HB12    12     1.09811   110.52590    64.81849
   13    10 S   CT   _CG1    13     1.52869   112.40470  -172.88192
   14    13 S   HC   HG11    14     1.09485   110.27304   -65.42193
   15    13 S   HC   HG12    15     1.09675   109.92676    53.75002
   16    13 S   C    _CD1    16     1.51730   112.52919   174.46236
   17    16 S   O    _OE1    17     1.22704   123.39480     4.06409
   18    16 S   N    _N2_    18     1.38584   111.41948  -175.90576
   19    18 S   H    _HN2    19     1.01521   118.85659     1.90393
   20    18 S   CT1  _CA2    20     1.46162   123.66717   178.21754
   21    20 S   HC   _HA2    21     1.09691   109.18520     8.53345
   22    20 S   C    _C2_    22     1.53715   110.05801  -107.84792
   23    22 S   O    _O2_    23     1.23128   121.69939  -162.96095
   24    20 S   CT   _CB2    32     1.53335   111.09257   130.50093
   25    24 S   HC   HB21    33     1.09566   109.11153    59.93720
   26    24 S   HC   HB22    34     1.09508   110.85213   178.16677
   27    22 S   N    _N3_    24     1.38108   114.53005    22.57081
   28    27 S   H    _HN3    25     1.01552   119.44257    -1.88585
   29    24 S   S    _SG2    35     1.83066   111.74067   -61.74569
   30    27 S   CT   _CA3    26     1.45257   123.43482   178.15634
   31    30 S   HC   HA31    27     1.09530   107.43945   -70.19324
   32    30 S   HC   HA32    28     1.09554   108.20083    46.32812
   33    29 S   CT   _C23    36     1.83365    99.16209   147.05878
   34    33 S   HC   _H3_    37     1.09127   105.55553   -46.93537
   35    30 S   CO3  _C3_    29     1.52951   113.86617   168.76728
   36    35 S   O2Z  _O31    30     1.26383   116.01303     9.83631
   37    35 S   O2Z  _O32    31     1.26409   114.45868  -170.16471
   38    33 S   CM   _C12    38     1.51314   109.85681  -162.91964
   39    38 S   HC   _H32    39     1.08917   116.26351  -103.28176
   40    33 S   CM   _C18    74     1.52922   111.71838    71.23687
   41    38 S   CM   _C11    40     1.34624   128.35260    77.48632
   42    41 S   HC   _H31    41     1.08969   117.15757  -179.10737
   43    40 S   CMA  _C13    75     1.35634   121.96949  -125.41380
   44    43 S   OM   _O21    76     1.25979   132.97817    -0.05595
   45    43 S   HC   _H33    77     1.09199   112.64004   180.00000
   46    40 S   CT   _C22    78     1.51339   118.22239    55.11409
   47    46 S   HC   _H44    79     1.09415   110.90101   -68.99658
   48    46 S   HC   _H45    80     1.09560   112.16731   171.40701
   49    46 S   HC   _H46    81     1.09378   111.20981    51.95719
   50    41 S   CM   _C16    42     1.45855   128.47361    -3.76515
   51    50 S   CM   _C9_    43     1.34700   122.13595    54.90487
   52    51 S   HC   _H29    44     1.08790   119.08013     0.71217
   53    50 S   CT   _C20    70     1.50741   112.92011  -125.34727
   54    53 S   HC   _H38    71     1.09558   110.43826   -65.32586
   55    53 S   HC   _H39    72     1.09619   110.38078    54.44934
   56    53 S   HC   _H40    73     1.09275   113.34837   173.98849
   57    51 S   CM   _C5_    45     1.44731   126.03811   179.87489
   58    57 S   HC   _H25    46     1.08819   116.26997   -35.07314
   59    57 S   CM   _C4_    47     1.34373   126.49733   144.21131
   60    59 S   HC   _H24    48     1.08636   116.12127  -179.90721
   61    59 S   CM   _C8_    49     1.44981   126.44496    -2.94111
   62    61 S   HC   _H28    50     1.08907   115.42165     5.94870
   63    61 S   CM   _C15    51     1.34847   127.07970  -172.06385
   64    63 S   CM   _C7_    52     1.45929   120.57528   177.33120
   65    64 S   HC   _H27    53     1.08960   114.18770  -121.84110
   66    63 S   CT   _C19    66     1.50507   126.28866     1.36902
   67    66 S   HC   _H35    67     1.09587   110.17462  -121.03108
   68    66 S   HC   _H36    68     1.09190   113.72056    -0.77632
   69    66 S   HC   _H37    69     1.09577   110.51164   119.43020
   70    64 S   CM   _C6_    54     1.34386   128.53038    59.45456
   71    70 S   HC   _H26    55     1.08672   116.11847  -179.75611
   72    70 S   CM   _C10    56     1.44972   126.86937     1.88989
   73    72 S   HC   _H30    57     1.08794   115.22032     3.82444
   74    72 S   CM   _C17    58     1.34524   126.15194  -176.96746
   75    74 S   CO4  _C14    59     1.49087   115.66506  -179.59603
   76    75 S   O    _O22    60     1.22585   122.99631   177.40573
   77    75 S   HC   _H34    61     1.10317   116.12696    -2.17061
   78    74 S   CT   _C21    62     1.49753   128.28270     1.08787
   79    78 S   HC   _H41    63     1.09547   110.26143   124.52817
   80    78 S   HC   _H42    64     1.09510   110.16172  -116.00520
   81    78 S   HC   _H43    65     1.09214   113.47126     4.65556
  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   8   5   4   3
  14   6   2   1   1   9   4   8   9   3   6   2   1   3   2   1
   1   9  10   4   4   2   1   1   6   3   6   3   9   3   9  10
   4   4   2   1   1   6   3   9   3   7   6   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    40    43    44    45    46    47    48    49  
   38    39    41    40    43    46  
   36    37  
   37  
    0  
   39    41    42    50    51    53    40    43    46  
   41    42    50    40  
   43    44    45    46    47    48    49    41  
   42    50    51    52    57    53    54    55    56  
   50    51    53  
   44    45    46    47    48    49  
   45    46  
   46  
   47    48    49  
   48    49  
   49  
    0  
   51    52    57    58    59    53    54    55    56  
   52    57    58    59    60    61    53    54    55    56  
   57    58    59    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64    66  
   61    62    63  
   62    63    64    65    70    66    67    68    69  
   63    64    66  
   64    65    70    71    72    66    67    68    69  
   65    70    71    72    73    74    66    67    68    69  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75    78  
   72    73    74  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   77   2.4200   0.0150   0.000000   1.3810   1.2100   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
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    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    50   380.000  1.444
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   380.000  1.444
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   380.000  1.444
   63    66   317.000  1.510
   64    65   340.000  1.080
   64    70   549.000  1.340
   70    71   340.000  1.080
   70    72   380.000  1.444
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   320.000  1.462
   74    78   317.000  1.510
   75    76   570.000  1.229
   75    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    43   465.000  1.376
   40    46   317.000  1.510
   43    44   745.000  1.250
   43    45   335.000  1.111
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  124.00000
   33    40    46    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    50    70.00000  123.01800
   41    38    39    35.00000  120.00000
   41    50    51    70.00000  123.01800
   41    50    53    70.00000  124.00000
   50    41    42    35.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  123.01800
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  120.00000
   51    57    59    70.00000  123.01800
   57    51    52    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    70.00000  123.01800
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    70.00000  123.01800
   61    59    60    35.00000  120.00000
   61    63    64    70.00000  123.01800
   61    63    66    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    70    70.00000  123.01800
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   64    70    71    35.00000  120.00000
   64    70    72    70.00000  123.01800
   70    64    65    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  123.01800
   72    70    71    35.00000  120.00000
   72    74    75    65.00000  118.96000
   72    74    78    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    80.00000  123.72100
   74    75    77    40.00000  115.75000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  123.00000
   78    74    75    65.00000  116.34900
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   66    63    64    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    65.00000  137.10300
   40    43    45    45.00000  105.30000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   45    43    44    50.00000  124.16400
   46    40    43    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   29    33    40    46   0.30250  1.0 1.0
   29    33    40    46  -0.14950 -1.0 2.0
   29    33    40    46   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    50   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   7.00000 -1.0 2.0
   33    40    46    47   0.34800  1.0 3.0
   33    40    46    48   0.34800  1.0 3.0
   33    40    46    49   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.00000  1.0 1.0
   34    33    40    46   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    33    40    46   0.09700  1.0 1.0
   38    33    40    46   0.15600 -1.0 2.0
   38    33    40    46  -0.50800  1.0 3.0
   38    41    50    51   0.28850  1.0 1.0
   38    41    50    51   2.61350 -1.0 2.0
   38    41    50    51   0.78400  1.0 3.0
   38    41    50    53  -0.18600  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    50   7.00000 -1.0 2.0
   41    50    51    52   7.00000 -1.0 2.0
   41    50    51    57   7.00000 -1.0 2.0
   41    50    53    54   0.00000  1.0 1.0
   41    50    53    55   0.00000  1.0 1.0
   41    50    53    56   0.00000  1.0 1.0
   42    41    50    51  -0.18600  1.0 3.0
   42    41    50    53   0.00000  1.0 1.0
   50    51    57    58  -0.18600  1.0 3.0
   50    51    57    59   0.28850  1.0 1.0
   50    51    57    59   2.61350 -1.0 2.0
   50    51    57    59   0.78400  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    59    60   7.00000 -1.0 2.0
   51    57    59    61   7.00000 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59  -0.18600  1.0 3.0
   57    59    61    62  -0.18600  1.0 3.0
   57    59    61    63   0.28850  1.0 1.0
   57    59    61    63   2.61350 -1.0 2.0
   57    59    61    63   0.78400  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    66   7.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63  -0.18600  1.0 3.0
   61    63    64    65  -0.18600  1.0 3.0
   61    63    64    70   0.28850  1.0 1.0
   61    63    64    70   2.61350 -1.0 2.0
   61    63    64    70   0.78400  1.0 3.0
   61    63    66    67   0.00000  1.0 1.0
   61    63    66    68   0.00000  1.0 1.0
   61    63    66    69   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    66   7.00000 -1.0 2.0
   63    64    70    71   7.00000 -1.0 2.0
   63    64    70    72   7.00000 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   64    70    72    73  -0.18600  1.0 3.0
   64    70    72    74   0.28850  1.0 1.0
   64    70    72    74   2.61350 -1.0 2.0
   64    70    72    74   0.78400  1.0 3.0
   65    64    70    71   7.00000 -1.0 2.0
   65    64    70    72   7.00000 -1.0 2.0
   70    72    74    75   7.00000 -1.0 2.0
   70    72    74    78   7.00000 -1.0 2.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74  -0.18600  1.0 3.0
   72    74    75    76   1.00000 -1.0 2.0
   72    74    75    77  -0.79650  1.0 1.0
   72    74    75    77   1.60950 -1.0 2.0
   72    74    75    77  -0.26250  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    81   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    78   7.00000 -1.0 2.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    81   0.15000  1.0 3.0
   78    74    75    76  -0.64400  1.0 1.0
   78    74    75    76   0.26850 -1.0 2.0
   78    74    75    77  -0.07900  1.0 1.0
   78    74    75    77   0.77700 -1.0 2.0
   78    74    75    77   0.13200  1.0 3.0
   66    63    64    65   0.00000  1.0 1.0
   66    63    64    70  -0.18600  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   43    40    46    47   0.00000  1.0 1.0
   43    40    46    48   0.00000  1.0 1.0
   43    40    46    49   0.00000  1.0 1.0
   46    40    43    44   7.00000 -1.0 2.0
   46    40    43    45   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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   50    42    41    38  15.00000 -1.0 2.0
   41    53    50    51  15.00000 -1.0 2.0
   57    52    51    50  15.00000 -1.0 2.0
   51    58    57    59  15.00000 -1.0 2.0
   61    60    59    57  15.00000 -1.0 2.0
   59    62    61    63  15.00000 -1.0 2.0
   64    66    63    61  15.00000 -1.0 2.0
   63    65    64    70  15.00000 -1.0 2.0
   72    71    70    64  15.00000 -1.0 2.0
   70    73    72    74  15.00000 -1.0 2.0
   75    78    74    72  15.00000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   33    46    40    43  15.00000 -1.0 2.0
   44    45    43    40  15.00000 -1.0 2.0
END
