* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    244     463
    1     0 S   NP   _N1_     1    29.51442    94.54250   -17.91154
    2     1 S   H    _HN1     2     1.02918    92.28661    27.82317
    3     1 S   H    _H1_     3     1.02814    43.03915   140.72871
    4     1 S   H    _H2_     4     1.02778    75.14283   -80.43735
    5     1 S   CT   _CA1     5     1.50267   151.16343   170.39278
    6     5 S   HC   _HA1     6     1.09549   105.11586    39.49445
    7     5 S   CO3  _C1_     7     1.53837   112.54361   -80.64288
    8     7 S   O2Z  _O11     8     1.26440   115.02088   -33.58546
    9     7 S   O2Z  _O12     9     1.26238   115.03080   145.29347
   10     5 S   CT   _CB1    10     1.52956   107.16947   157.71638
   11    10 S   HC   HB11    11     1.09824   109.39410   -43.71588
   12    10 S   HC   HB12    12     1.09761   110.19269    72.90385
   13    10 S   CT   _CG1    13     1.52981   113.21675  -164.80522
   14    13 S   HC   HG11    14     1.09450   110.79962   -63.55571
   15    13 S   HC   HG12    15     1.09646   110.03742    55.73801
   16    13 S   C    _CD1    16     1.51863   111.68686   175.38162
   17    16 S   O    _OE1    17     1.22783   123.14387    -6.95110
   18    16 S   N    _N2_    18     1.38624   112.04899   174.01306
   19    18 S   H    _HN2    19     1.01601   119.13181    -0.56232
   20    18 S   CT1  _CA2    20     1.46122   122.87940   176.76445
   21    20 S   HC   _HA2    21     1.09754   109.07773   -12.73338
   22    20 S   C    _C2_    22     1.53427   108.30341  -127.88812
   23    22 S   O    _O2_    23     1.23026   122.40631  -147.82910
   24    20 S   CT   _CB2    32     1.53336   112.55729   109.24095
   25    24 S   HC   HB21    33     1.09535   110.84256    61.12681
   26    24 S   HC   HB22    34     1.09573   109.68505   178.60591
   27    22 S   N    _N3_    24     1.38377   113.43789    39.61480
   28    27 S   H    _HN3    25     1.01652   119.49473    -3.52925
   29    24 S   S    _SG2    35     1.82818   112.56380   -63.01614
   30    27 S   CT   _CA3    26     1.45292   123.11246   176.95547
   31    30 S   HC   HA31    27     1.09552   107.53919   -63.40781
   32    30 S   HC   HA32    28     1.09558   107.92876    52.99464
   33    29 S   CT   _C13    36     1.82587    99.61017   105.47396
   34    33 S   HC   _H3_    37     1.09664   109.09212   -43.43385
   35    30 S   CO3  _C3_    29     1.52929   114.13921   174.96561
   36    35 S   O2Z  _O31    30     1.26363   116.04539    -0.85363
   37    35 S   O2Z  _O32    31     1.26427   114.41649   179.20156
   38    33 S   CT   _C7_    38     1.54065   112.74522  -165.70569
   39    38 S   HC   _H28    39     1.10054   109.42389   -46.31622
   40    38 S   CT   _C6_    40     1.55708   104.00659  -160.48936
   41    40 S   HC   _H27    41     1.09770   109.03326   136.61345
   42    40 S   CM   _C5_    42     1.51345   112.89391  -102.97970
   43    40 S   CT   _C8_    75     1.54938   104.92709    17.28238
   44    43 S   HC   _H29    76     1.09769   110.82606  -105.92648
   45    42 S   CM   _C4_    43     1.34032   120.73407     4.69932
   46    45 S   HC   _H26    44     1.08207   124.09107   174.10878
   47    42 S   CT   _C17    71     1.50048   117.65491  -176.68914
   48    47 S   HC   _H38    72     1.09402   111.01478   -62.86755
   49    47 S   HC   _H39    73     1.09534   111.88590   176.91853
   50    47 S   HC   _H40    74     1.09481   110.14167    57.37274
   51    33 S   CT   _C10    77     1.53341   112.52992    79.54391
   52    51 S   HC   _H31    78     1.09424   113.82586   -72.30333
   53    43 S   OH   _O18    81     1.41816   111.14941   134.49390
   54    53 S   HO   _H43    82     0.97220   107.55453  -163.48113
   55    45 S   OS   _O16    45     1.36794   125.70752    -4.84076
   56    51 S   OH   _O20    79     1.42577   111.91920    51.01439
   57    56 S   HO   _H45    80     0.97313   107.08012   -55.40241
   58    38 S   CO   _C15    46     1.53398   115.10455    75.98512
   59    58 S   HC   _H36    47     1.09537   109.42055   -50.47603
   60    58 S   OS1  _O24    48     1.43746   107.43024  -167.34293
   61    60 S   CO1  _C16    49     1.43307   113.48594   175.59980
   62    61 S   HC   _H37    50     1.09602   108.88516    52.10481
   63    61 S   CT   _C12    51     1.53383   106.99586   170.58923
   64    63 S   HC   _H33    52     1.09678   110.01742    53.15186
   65    63 S   CT   _C9_    53     1.52979   111.21958   175.17850
   66    65 S   HC   _H30    54     1.09671   110.22345    73.72870
   67    63 S   OH5  _O22    69     1.42983   110.00383   -63.62627
   68    67 S   HO   _H47    70     0.97265   108.11139   -56.91051
   69    65 S   CT   _C11    55     1.53130   111.29093   -48.97635
   70    69 S   HC   _H32    56     1.09703   109.12735   -71.37227
   71    65 S   OH5  _O19    67     1.42955   109.68798  -170.35759
   72    71 S   HO   _H44    68     0.97238   108.13206    60.08746
   73    69 S   CT   _C14    57     1.53235   110.68754    49.92765
   74    73 S   HC   _H35    58     1.09820   110.84373    63.98879
   75    69 S   OH5  _O21    65     1.42638   109.64766   171.74774
   76    75 S   HO   _H46    66     0.97253   108.17010   -55.69989
   77    61 S   OS1  _O17    59     1.42856   111.26050   -69.18734
   78    73 S   CT   _C18    60     1.53012   111.44385  -175.28374
   79    78 S   HC   _H41    61     1.09508   110.95168    72.21904
   80    78 S   HC   _H42    62     1.09378   111.72764   -50.27133
   81    78 S   OH5  _O23    63     1.42466   109.04197  -169.00717
   82    81 S   HO   _H48    64     0.97255   107.07290  -173.22352
  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  10   5   4   3
  17   8   2   1   1  17   9  19   8  12  10   5   9   3   4   2
   1   1   6   3   2   1   4   1   1   6   2   8  13   6  12   7
  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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    58    43    51    52    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    55    58    59    60    43    44    51    52    56    57    53  
   38    39    40    58    43    51    52    56  
   36    37  
   37  
    0  
   39    40    41    42    45    55    58    59    60    61    47    43    44    51    52    56    53  
   40    41    42    55    58    59    60    43    51  
   41    42    45    46    55    58    59    60    47    48    49    50    43    44    51    52    56    53    54  
   42    45    58    47    43    44    51    53  
   45    46    55    58    47    48    49    50    43    44    51    53  
   44    51    52    56    57    53    54    45    47    58  
   51    52    56    53    54  
   46    55    58    59    60    47    48    49    50  
   55    58    47  
   48    49    50    55  
   49    50  
   50  
    0  
   52    56    57    53    54    58  
   56    57    53  
   54    56  
    0  
   58    59    60    61  
   57  
    0  
   59    60    61    62    63    77  
   60    61  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    58   250.000  1.527
   40    41   340.000  1.090
   40    42   317.000  1.510
   40    43   268.000  1.529
   42    45   549.000  1.340
   42    47   317.000  1.510
   45    46   340.000  1.080
   45    55   440.000  1.360
   55    58   320.000  1.380
   58    59   340.000  1.090
   58    60   320.000  1.380
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   43    44   340.000  1.090
   43    51   268.000  1.529
   43    53   320.000  1.410
   51    52   340.000  1.090
   51    56   320.000  1.410
   56    57   553.000  0.945
   53    54   553.000  0.945
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  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    58    75.00000  109.43000
   33    51    43    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    70.00000  112.02700
   38    40    43    58.35000  112.70000
   38    58    55    90.00000  108.56700
   38    58    59    45.00000  112.01100
   38    58    60    90.00000  108.56700
   40    38    39    37.50000  110.70000
   40    42    45    70.00000  124.00000
   40    42    47    65.00000  117.92700
   40    43    44    37.50000  110.70000
   40    43    51    58.35000  112.70000
   40    43    53    50.00000  109.50000
   42    40    41    35.00000  109.50000
   42    45    46    35.00000  120.00000
   42    45    55    80.00000  120.01400
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   45    55    58    85.00000  113.97000
   55    45    46    55.00000  109.52600
   55    58    59    35.00000  109.50000
   55    58    60    92.60000  111.55000
   58    38    39    45.00000  108.72000
   58    38    40    75.00000  109.43000
   58    60    61    90.00000  112.10700
   60    58    59    35.00000  109.50000
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   47    42    45    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    56    50.00000  109.50000
   43    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    56    57    55.00000  108.50000
   56    51    52    35.00000  109.50000
   53    43    44    35.00000  109.50000
   53    43    51    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    58   0.44750  1.0 1.0
   29    33    38    58  -0.17800 -1.0 2.0
   29    33    38    58   0.20200  1.0 3.0
   29    33    51    43   0.44750  1.0 1.0
   29    33    51    43  -0.17800 -1.0 2.0
   29    33    51    43   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    56   0.56750  1.0 1.0
   29    33    51    56  -0.07550 -1.0 2.0
   29    33    51    56   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.34400  1.0 1.0
   33    38    40    42   0.09450 -1.0 2.0
   33    38    40    42   0.11100  1.0 3.0
   33    38   -40    43   0.56750  1.0 1.0
   33    38   -40    43  -0.07550 -1.0 2.0
   33    38   -40    43   0.20000  1.0 3.0
   33    38    58    55   0.62750  1.0 1.0
   33    38    58    55  -0.30950 -1.0 2.0
   33    38    58    55   0.27300  1.0 3.0
   33    38    58    59   0.15000  1.0 3.0
   33    38    58    60   0.62750  1.0 1.0
   33    38    58    60  -0.30950 -1.0 2.0
   33    38    58    60   0.27300  1.0 3.0
   33    51    56    57  -0.11600  1.0 1.0
   33    51    56    57  -0.09450 -1.0 2.0
   33    51    56    57   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    58   0.15000  1.0 3.0
   34    33    51    43   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    56   0.23400  1.0 3.0
   38    33   -51    43   0.56750  1.0 1.0
   38    33   -51    43  -0.07550 -1.0 2.0
   38    33   -51    43   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    56   0.86500  1.0 1.0
   38    33    51    56  -0.17500 -1.0 2.0
   38    33    51    56   0.20800  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.46850  1.0 1.0
   38    40    42    47   0.08550 -1.0 2.0
   38    40    42    47   0.09800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.56750  1.0 1.0
   38    40   -43    51  -0.07550 -1.0 2.0
   38    40   -43    51   0.20000  1.0 3.0
   38    40    43    53   0.86500  1.0 1.0
   38    40    43    53  -0.17500 -1.0 2.0
   38    40    43    53   0.20800  1.0 3.0
   38    58    60    61   0.06250  1.0 1.0
   38    58    60    61  -0.01100 -1.0 2.0
   38    58    60    61   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    58    55   0.23400  1.0 3.0
   39    38    58    59   0.15000  1.0 3.0
   39    38    58    60   0.23400  1.0 3.0
   40    38    58    55   0.62750  1.0 1.0
   40    38    58    55  -0.30950 -1.0 2.0
   40    38    58    55   0.27300  1.0 3.0
   40    38    58    59   0.15000  1.0 3.0
   40    38    58    60   0.62750  1.0 1.0
   40    38    58    60  -0.30950 -1.0 2.0
   40    38    58    60   0.27300  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42   -45    55   7.00000 -1.0 2.0
   40    42    47    48   0.34800  1.0 3.0
   40    42    47    49   0.34800  1.0 3.0
   40    42    47    50   0.34800  1.0 3.0
   40    43   -51    33   0.56750  1.0 1.0
   40    43   -51    33  -0.07550 -1.0 2.0
   40    43   -51    33   0.20000  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    56   0.86500  1.0 1.0
   40    43    51    56  -0.17500 -1.0 2.0
   40    43    51    56   0.20800  1.0 3.0
   40    43    53    54  -0.11600  1.0 1.0
   40    43    53    54  -0.09450 -1.0 2.0
   40    43    53    54   0.21250  1.0 3.0
   41    40    42    45   0.00000  1.0 1.0
   41    40    42    47   0.34800  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    51   0.34400  1.0 1.0
   42    40    43    51   0.09450 -1.0 2.0
   42    40    43    51   0.11100  1.0 3.0
   42    40    43    53   1.05650  1.0 1.0
   42    40    43    53   0.15600 -1.0 2.0
   42    40    43    53   0.53150  1.0 3.0
   42    45    55    58  -2.26850  1.0 1.0
   42    45    55    58   3.39050 -1.0 2.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    50   0.00000  1.0 1.0
   45    55   -58    38  -0.46850  1.0 1.0
   45    55   -58    38   0.09300 -1.0 2.0
   45    55   -58    38  -0.12850  1.0 3.0
   45    55    58    59   0.08050  1.0 3.0
   45    55    58    60  -0.48150  1.0 1.0
   45    55    58    60   0.09250 -1.0 2.0
   45    55    58    60  -0.12850  1.0 3.0
   46    45    55    58   0.50000 -1.0 2.0
   55    58    60    61  -0.53350  1.0 1.0
   55    58    60    61  -0.78350 -1.0 2.0
   55    58    60    61   0.33750  1.0 3.0
   58    38    40    41   0.15000  1.0 3.0
   58    38   -40    42   0.34400  1.0 1.0
   58    38   -40    42   0.09450 -1.0 2.0
   58    38   -40    42   0.11100  1.0 3.0
   58    38    40    43   3.97050  1.0 1.0
   58    60    61    62   0.37050  1.0 3.0
   58    60    61    63   0.06250  1.0 1.0
   58    60    61    63  -0.01100 -1.0 2.0
   58    60    61    63   0.28050  1.0 3.0
   58    60    61    77  -0.12700  1.0 1.0
   58    60    61    77  -1.16200 -1.0 2.0
   58    60    61    77   0.58800  1.0 3.0
   59    58    60    61   0.37050  1.0 3.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   47    42    45    46   7.00000 -1.0 2.0
   47    42    45    55   7.00000 -1.0 2.0
   43    40    42    45   0.09850  1.0 1.0
   43    40    42    45   0.15250 -1.0 2.0
   43    40    42    45  -0.50650  1.0 3.0
   43    40    42    47   0.46850  1.0 1.0
   43    40    42    47   0.08550 -1.0 2.0
   43    40    42    47   0.09800  1.0 3.0
   43    51    56    57  -0.11600  1.0 1.0
   43    51    56    57  -0.09450 -1.0 2.0
   43    51    56    57   0.21250  1.0 3.0
   44    43    51    33   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    56   0.23400  1.0 3.0
   44    43    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    58   3.97050  1.0 1.0
   51    43    53    54  -0.11600  1.0 1.0
   51    43    53    54  -0.09450 -1.0 2.0
   51    43    53    54   0.21250  1.0 3.0
   52    51    56    57   0.19450  1.0 3.0
   53    43    51    33   0.86500  1.0 1.0
   53    43    51    33  -0.17500 -1.0 2.0
   53    43    51    33   0.20800  1.0 3.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    56   3.75450  1.0 1.0
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
   40    47    42    45   1.10000 -1.0 2.0
   55    46    45    42   1.10000 -1.0 2.0
END
