* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    254     482
    1     0 S   NP   _N1_     1    28.35860    97.71452   -23.59836
    2     1 S   H    _HN1     2     1.02780   111.31033  -106.94544
    3     1 S   H    _H1_     3     1.02959    66.95078    -5.34683
    4     1 S   H    _H2_     4     1.02836    41.31282   159.86595
    5     1 S   CT   _CA1     5     1.50155   134.38578    91.16292
    6     5 S   HC   _HA1     6     1.09579   105.17525   100.32599
    7     5 S   CO3  _C1_     7     1.53758   112.32663   -19.78588
    8     7 S   O2Z  _O11     8     1.26369   114.98300   -44.10065
    9     7 S   O2Z  _O12     9     1.26231   114.91611   134.80653
   10     5 S   CT   _CB1    10     1.53080   107.39779  -141.82698
   11    10 S   HC   HB11    11     1.09834   109.22461   -50.45139
   12    10 S   HC   HB12    12     1.09815   110.47279    66.06223
   13    10 S   CT   _CG1    13     1.53055   112.74789  -171.50937
   14    13 S   HC   HG11    14     1.09588   110.55181   -66.46489
   15    13 S   HC   HG12    15     1.09663   109.86319    52.76581
   16    13 S   C    _CD1    16     1.51867   112.17938   173.06378
   17    16 S   O    _OE1    17     1.22787   123.23751     4.05705
   18    16 S   N    _N2_    18     1.38578   111.86812  -175.75490
   19    18 S   H    _HN2    19     1.01564   119.15939     3.06822
   20    18 S   CT1  _CA2    20     1.45658   122.59740   177.14104
   21    20 S   HC   _HA2    21     1.09724   108.85601    28.85829
   22    20 S   C    _C2_    22     1.52982   107.53191   -88.63362
   23    22 S   O    _O2_    23     1.22916   123.00556   -28.70569
   24    20 S   CT   _CB2    32     1.53088   112.51468   152.55948
   25    24 S   HC   HB21    33     1.09624   110.36643    50.45702
   26    24 S   HC   HB22    34     1.09510   109.87305   169.07483
   27    22 S   N    _N3_    24     1.38629   112.04412   155.03836
   28    27 S   H    _HN3    25     1.01556   119.52556    -2.41054
   29    24 S   S    _SG2    35     1.82297   111.95499   -70.84698
   30    27 S   CT   _CA3    26     1.45410   123.43742   171.18425
   31    30 S   HC   HA31    27     1.09476   109.80664    17.50418
   32    30 S   HC   HA32    28     1.09479   107.27520   135.08725
   33    29 S   CT   _C11    36     1.83126    98.27708   177.18408
   34    33 S   HC   _H7_    37     1.09667   107.10143   -60.46108
   35    30 S   CO3  _C3_    29     1.52910   111.76676  -105.77604
   36    35 S   O2Z  _O31    30     1.26471   115.16496   -50.72512
   37    35 S   O2Z  _O32    31     1.26337   115.38031   129.06172
   38    33 S   CM   _C12    38     1.50312   113.22160   178.90478
   39    38 S   CT   _C8_    39     1.51549   117.50105  -163.19401
   40    39 S   HC   _H4_    40     1.09929   107.54439   149.64172
   41    38 S   CMA  _C13    83     1.52291   122.13436    37.08761
   42    41 S   OM   _O34    84     1.26250   120.17883  -120.68265
   43    41 S   OM   _O35    85     1.26325   120.85010    59.94686
   44    39 S   CT   _C9_    41     1.54816   114.40596    29.68124
   45    44 S   HC   _H5_    42     1.09932   108.32960    85.08679
   46    44 S   CO   _C10    43     1.53747   111.68480   -34.20364
   47    46 S   HC   _H6_    44     1.09695   111.03773   -67.61394
   48    44 S   CT   _C5_    69     1.54362   102.32576  -158.92914
   49    33 S   OS   _O33    45     1.42890   108.64458    57.65328
   50    46 S   OS1  _O36    46     1.43223   108.53741   173.07734
   51    48 S   CT   _C6_    70     1.53311   103.51496    41.73046
   52    51 S   HC   _H16    71     1.09542   112.22002  -154.87438
   53    51 S   HC   _H17    72     1.09665   110.09497    84.34805
   54    48 S   CT   _C4_    77     1.52285   117.00011   165.81614
   55    54 S   HC   _H13    78     1.09556   110.71014    57.71159
   56    54 S   HC   _H14    79     1.09403   112.47262   -64.40313
   57    54 S   HC   _H15    80     1.09634   110.61570   175.32622
   58    48 S   OH   _O43    81     1.43436   107.70027   -73.38195
   59    58 S   HO   _H25    82     0.97216   108.07907   169.97936
   60    50 S   CO1  _C14    47     1.43566   113.54427  -177.12077
   61    60 S   HC   _H8_    48     1.09758   107.94179    66.30956
   62    39 S   CT   _C7_    73     1.54502   113.02925   -89.96010
   63    62 S   HC   _H3_    74     1.09600   112.63385    18.79969
   64    60 S   CT   _C15    49     1.53468   107.15624  -174.95888
   65    64 S   HC   _H9_    50     1.09696   109.64105    51.69818
   66    62 S   OH   _O42    75     1.42432   109.62119  -101.31569
   67    66 S   HO   _H24    76     0.97167   107.28927   170.97914
   68    64 S   CT   _C16    51     1.53224   112.06550   173.79591
   69    68 S   HC   _H10    52     1.09399   110.21965    77.74898
   70    64 S   OH5  _O41    67     1.43029   109.86025   -64.62953
   71    70 S   HO   _H23    68     0.97345   107.82476   -62.11174
   72    68 S   CT   _C17    53     1.53222   112.08693   -45.46057
   73    72 S   HC   _H11    54     1.09707   108.94859   -73.79106
   74    68 S   OH5  _O40    65     1.43163   109.34282  -167.06234
   75    74 S   HO   _H22    66     0.97210   108.08848    62.26021
   76    72 S   CT   _C18    55     1.53146   110.89454    47.28034
   77    76 S   HC   _H12    56     1.09764   111.29271    63.65170
   78    72 S   OH5  _O39    63     1.42581   109.68801   169.52845
   79    78 S   HO   _H21    64     0.97704   108.09925   -60.62826
   80    60 S   OS1  _O37    57     1.42849   111.71661   -54.97147
   81    76 S   CT   _C19    58     1.52879   111.78007  -175.42329
   82    81 S   HC   _H18    59     1.09491   111.07048    68.41645
   83    81 S   HC   _H19    60     1.09400   111.48851   -54.03745
   84    81 S   OH5  _O38    61     1.42549   108.99993  -172.97479
   85    84 S   HO   _H20    62     0.97221   107.02931   179.58788
  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   7   5   4   3
  13   5   2   1   1  14  20   9   5   1   1  19   9  12   4  14
   2   8  12   6   5   6   3   2   1   2   1  13   6   3   2  12
   7   1   1  13   7   4   1  12   7   3   1   9   6   3   1   4
   4   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    49    50    62    41    42    43  
   38    39    46    49    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    48    51    62    63    66    41    42    43  
   40    44    45    46    47    49    50    48    51    52    53    62    63    66    67    54    58    41    42    43  
   44    45    46    48    51    62    63    66    41  
   42    43    44    49    62  
   43  
    0  
   45    46    47    49    50    60    48    51    52    53    62    63    66    54    55    56    57    58    59  
   46    47    49    50    48    51    62    54    58  
   47    49    50    60    61    64    80    48    51    62    54    58  
   49    50    60    48  
   51    52    53    62    63    66    54    55    56    57    58    59    49    50  
   50    60  
   60    61    64    65    68    76    80    70  
   52    53    62    63    66    67    54    55    56    57    58    59  
   53    62    63    66    54    58  
   62    63    66    54    58  
   55    56    57    58    59    62  
   56    57    58  
   57    58  
   58  
   59    62  
    0  
   61    64    65    68    69    72    76    77    80    81    74    70    71  
   64    65    68    76    80    70  
   63    66    67  
   66    67  
   65    68    69    72    73    76    80    78    74    75    70    71  
   68    69    72    80    74    70    71  
   67  
    0  
   69    72    73    76    77    80    81    78    79    74    75    70    71  
   72    73    76    78    74    75    70  
   71    72    74    80  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    49   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    62   268.000  1.529
   44    45   340.000  1.090
   44    46   250.000  1.527
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   320.000  1.380
   46    50   320.000  1.380
   50    60   370.000  1.399
   60    61   360.000  1.097
   60    64   255.000  1.525
   60    80   370.000  1.399
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   48    51   268.000  1.529
   48    54   268.000  1.529
   48    58   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    62   268.000  1.529
   62    63   340.000  1.090
   62    66   320.000  1.410
   66    67   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   553.000  0.945
   41    42   745.000  1.250
   41    43   745.000  1.250
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    49    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    49    46    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    39    62    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    45    37.50000  110.70000
   39    44    46    75.00000  109.43000
   39    44    48    58.35000  112.70000
   39    62    51    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    66    50.00000  109.50000
   44    39    40    37.50000  110.70000
   44    46    47    45.00000  112.01100
   44    46    49    90.00000  108.56700
   44    46    50    90.00000  108.56700
   44    48    51    58.35000  112.70000
   44    48    54    58.35000  112.70000
   44    48    58    50.00000  109.50000
   46    44    45    45.00000  108.72000
   46    50    60    90.00000  112.10700
   49    33    34    35.00000  109.50000
   49    33    38    85.00000  110.90400
   49    46    47    35.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    49    92.60000  111.55000
   50    60    61    60.00000  105.75400
   50    60    64    90.00000  109.70700
   50    60    80   110.00000  113.16000
   60    64    65    45.00000  109.54000
   60    64    68    70.00000  111.10000
   60    64    70    90.00000  109.42000
   60    80    76    90.00000  112.10700
   64    60    61    45.00000  111.65000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    74    90.00000  111.45300
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    58.35000  112.70000
   68    72    78    90.00000  111.45300
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    60    61    60.00000  105.75400
   80    60    64    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   48    44    45    37.50000  110.70000
   48    44    46    75.00000  109.43000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    62    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   48    58    59    55.00000  108.50000
   51    62    63    37.50000  110.70000
   51    62    66    50.00000  109.50000
   53    51    52    33.00000  107.80000
   62    39    40    37.50000  110.70000
   62    39    44    58.35000  112.70000
   62    51    52    37.50000  110.70000
   62    51    53    37.50000  110.70000
   62    66    67    55.00000  108.50000
   66    62    63    35.00000  109.50000
   54    48    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    48    51    50.00000  109.50000
   58    48    54    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    65.00000  121.00000
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    49   0.13850  1.0 1.0
   24    29    33    49  -1.34450 -1.0 2.0
   24    29    33    49   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   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    49    46   0.14700  1.0 1.0
   29    33    49    46  -1.16150 -1.0 2.0
   29    33    49    46   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    39    62   0.46850  1.0 1.0
   33    38    39    62   0.08550 -1.0 2.0
   33    38    39    62   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46   0.37050  1.0 3.0
   38    33    49    46  -0.77900  1.0 1.0
   38    33    49    46  -0.36900 -1.0 2.0
   38    33    49    46   0.40400  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    46   0.34400  1.0 1.0
   38    39   -44    46   0.09450 -1.0 2.0
   38    39   -44    46   0.11100  1.0 3.0
   38    39    44    48   0.34400  1.0 1.0
   38    39    44    48   0.09450 -1.0 2.0
   38    39    44    48   0.11100  1.0 3.0
   38    39    62    51   0.34400  1.0 1.0
   38    39    62    51   0.09450 -1.0 2.0
   38    39    62    51   0.11100  1.0 3.0
   38    39    62    63   0.15000  1.0 3.0
   38    39    62    66   1.05650  1.0 1.0
   38    39    62    66   0.15600 -1.0 2.0
   38    39    62    66   0.53150  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    46    47   0.15000  1.0 3.0
   39    44    46    49   0.62750  1.0 1.0
   39    44    46    49  -0.30950 -1.0 2.0
   39    44    46    49   0.27300  1.0 3.0
   39    44    46    50   0.62750  1.0 1.0
   39    44    46    50  -0.30950 -1.0 2.0
   39    44    46    50   0.27300  1.0 3.0
   39    44   -48    51   0.56750  1.0 1.0
   39    44   -48    51  -0.07550 -1.0 2.0
   39    44   -48    51   0.20000  1.0 3.0
   39    44    48    54   0.56750  1.0 1.0
   39    44    48    54  -0.07550 -1.0 2.0
   39    44    48    54   0.20000  1.0 3.0
   39    44    48    58   0.86500  1.0 1.0
   39    44    48    58  -0.17500 -1.0 2.0
   39    44    48    58   0.20800  1.0 3.0
   39    62    66    67  -0.11600  1.0 1.0
   39    62    66    67  -0.09450 -1.0 2.0
   39    62    66    67   0.21250  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    62    51   0.15000  1.0 3.0
   40    39    62    63   0.15000  1.0 3.0
   40    39    62    66   0.23400  1.0 3.0
   44    39   -62    51   0.56750  1.0 1.0
   44    39   -62    51  -0.07550 -1.0 2.0
   44    39   -62    51   0.20000  1.0 3.0
   44    39    62    63   0.15000  1.0 3.0
   44    39    62    66   0.86500  1.0 1.0
   44    39    62    66  -0.17500 -1.0 2.0
   44    39    62    66   0.20800  1.0 3.0
   44    46   -49    33   0.06250  1.0 1.0
   44    46   -49    33  -0.01100 -1.0 2.0
   44    46   -49    33   0.28050  1.0 3.0
   44    46    50    60   0.06250  1.0 1.0
   44    46    50    60  -0.01100 -1.0 2.0
   44    46    50    60   0.28050  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    53   0.15000  1.0 3.0
   44    48   -51    62   0.56750  1.0 1.0
   44    48   -51    62  -0.07550 -1.0 2.0
   44    48   -51    62   0.20000  1.0 3.0
   44    48    54    55   0.15000  1.0 3.0
   44    48    54    56   0.15000  1.0 3.0
   44    48    54    57   0.15000  1.0 3.0
   44    48    58    59  -0.11600  1.0 1.0
   44    48    58    59  -0.09450 -1.0 2.0
   44    48    58    59   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.23400  1.0 3.0
   45    44    46    50   0.23400  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    48    58   0.23400  1.0 3.0
   46    44    48    51   3.97050  1.0 1.0
   46    44    48    54   3.97050  1.0 1.0
   46    44    48    58   0.86500  1.0 1.0
   46    44    48    58  -0.17500 -1.0 2.0
   46    44    48    58   0.20800  1.0 3.0
   46    50    60    61   0.37050  1.0 3.0
   46    50    60    64   0.06250  1.0 1.0
   46    50    60    64  -0.01100 -1.0 2.0
   46    50    60    64   0.28050  1.0 3.0
   46    50    60    80  -0.12700  1.0 1.0
   46    50    60    80  -1.16200 -1.0 2.0
   46    50    60    80   0.58800  1.0 3.0
   47    46    49    33   0.37050  1.0 3.0
   47    46    50    60   0.37050  1.0 3.0
   49    33   -38    39   0.09700  1.0 1.0
   49    33   -38    39   0.15600 -1.0 2.0
   49    33   -38    39  -0.50800  1.0 3.0
   49    33    38    41   0.39000  1.0 1.0
   49    33    38    41  -0.05800 -1.0 2.0
   49    33    38    41  -0.55150  1.0 3.0
   49    46    50    60  -0.53350  1.0 1.0
   49    46    50    60  -0.78350 -1.0 2.0
   49    46    50    60   0.33750  1.0 3.0
   50    46    49    33  -0.81800  1.0 1.0
   50    60    64    65   0.23400  1.0 3.0
   50    60    64    68   0.62750  1.0 1.0
   50    60    64    68  -0.30950 -1.0 2.0
   50    60    64    68   0.27300  1.0 3.0
   50    60    64    70   1.51850  1.0 1.0
   50    60    80    76  -0.70400  1.0 1.0
   50    60    80    76  -0.90350 -1.0 2.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    72   0.56750  1.0 1.0
   60    64    68    72  -0.07550 -1.0 2.0
   60    64    68    72   0.20000  1.0 3.0
   60    64    68    74  -0.47750  1.0 1.0
   60    64    70    71   0.29150  1.0 1.0
   60    64    70    71  -0.28350 -1.0 2.0
   60    64    70    71   0.43600  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    70   0.23400  1.0 3.0
   61    60    80    76   0.37050  1.0 3.0
   64    60    80    76   0.06250  1.0 1.0
   64    60    80    76  -0.01100 -1.0 2.0
   64    60    80    76   0.28050  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68   -72    76   0.56750  1.0 1.0
   64    68   -72    76  -0.07550 -1.0 2.0
   64    68   -72    76   0.20000  1.0 3.0
   64    68    72    78  -0.47750  1.0 1.0
   64    68    74    75   0.29150  1.0 1.0
   64    68    74    75  -0.28350 -1.0 2.0
   64    68    74    75   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   65    64    68    74   0.23400  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    72    76    77   0.15000  1.0 3.0
   68    72    76    80   0.62750  1.0 1.0
   68    72    76    80  -0.30950 -1.0 2.0
   68    72    76    80   0.27300  1.0 3.0
   68    72    76    81   0.56750  1.0 1.0
   68    72    76    81  -0.07550 -1.0 2.0
   68    72    76    81   0.20000  1.0 3.0
   68    72    78    79   0.29150  1.0 1.0
   68    72    78    79  -0.28350 -1.0 2.0
   68    72    78    79   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    78   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    76   -80    60   0.06250  1.0 1.0
   72    76   -80    60  -0.01100 -1.0 2.0
   72    76   -80    60   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    60   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    60    64    65   0.23400  1.0 3.0
   80    60   -64    68   0.62750  1.0 1.0
   80    60   -64    68  -0.30950 -1.0 2.0
   80    60   -64    68   0.27300  1.0 3.0
   80    60    64    70   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    60   0.06250  1.0 1.0
   81    76    80    60  -0.01100 -1.0 2.0
   81    76    80    60   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76  -0.47750  1.0 1.0
   74    68    72    78   3.77950  1.0 1.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72  -0.47750  1.0 1.0
   70    64    68    74   3.77950  1.0 1.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.62750  1.0 1.0
   48    44    46    49  -0.30950 -1.0 2.0
   48    44    46    49   0.27300  1.0 3.0
   48    44    46    50   0.62750  1.0 1.0
   48    44    46    50  -0.30950 -1.0 2.0
   48    44    46    50   0.27300  1.0 3.0
   48    51   -62    39   0.56750  1.0 1.0
   48    51   -62    39  -0.07550 -1.0 2.0
   48    51   -62    39   0.20000  1.0 3.0
   48    51    62    63   0.15000  1.0 3.0
   48    51    62    66   0.86500  1.0 1.0
   48    51    62    66  -0.17500 -1.0 2.0
   48    51    62    66   0.20800  1.0 3.0
   51    48    54    55   0.15000  1.0 3.0
   51    48    54    56   0.15000  1.0 3.0
   51    48    54    57   0.15000  1.0 3.0
   51    48    58    59  -0.11600  1.0 1.0
   51    48    58    59  -0.09450 -1.0 2.0
   51    48    58    59   0.21250  1.0 3.0
   51    62    66    67  -0.11600  1.0 1.0
   51    62    66    67  -0.09450 -1.0 2.0
   51    62    66    67   0.21250  1.0 3.0
   52    51    62    39   0.15000  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    66   0.23400  1.0 3.0
   53    51    62    39   0.15000  1.0 3.0
   53    51    62    63   0.15000  1.0 3.0
   53    51    62    66   0.23400  1.0 3.0
   62    39    44    45   0.15000  1.0 3.0
   62    39    44    46   3.97050  1.0 1.0
   62    39   -44    48   0.56750  1.0 1.0
   62    39   -44    48  -0.07550 -1.0 2.0
   62    39   -44    48   0.20000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   54    48    51    52   0.15000  1.0 3.0
   54    48    51    53   0.15000  1.0 3.0
   54    48    51    62   0.56750  1.0 1.0
   54    48    51    62  -0.07550 -1.0 2.0
   54    48    51    62   0.20000  1.0 3.0
   54    48    58    59  -0.11600  1.0 1.0
   54    48    58    59  -0.09450 -1.0 2.0
   54    48    58    59   0.21250  1.0 3.0
   58    48    51    52   0.23400  1.0 3.0
   58    48    51    53   0.23400  1.0 3.0
   58    48    51    62   0.86500  1.0 1.0
   58    48    51    62  -0.17500 -1.0 2.0
   58    48    51    62   0.20800  1.0 3.0
   58    48    54    55   0.23400  1.0 3.0
   58    48    54    56   0.23400  1.0 3.0
   58    48    54    57   0.23400  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    44   0.09850  1.0 1.0
   41    38    39    44   0.15250 -1.0 2.0
   41    38    39    44  -0.50650  1.0 3.0
   41    38    39    62   0.09850  1.0 1.0
   41    38    39    62   0.15250 -1.0 2.0
   41    38    39    62  -0.50650  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    39    38    41   1.10000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
