* LIGAND DATABASE FILE (OPLS2005)
*
001      79    78    139    202     405
    1     0 S   NP   _N1_     1    30.46355    89.64845   -25.46402
    2     1 S   H    _HN1     2     1.02994   104.36197    31.75083
    3     1 S   H    _H1_     3     1.02826     9.81061   -75.58075
    4     1 S   H    _H2_     4     1.02786   117.52762   -87.98699
    5     1 S   CT   _CA1     5     1.50229   103.74364   147.40733
    6     5 S   HC   _HA1     6     1.09560   105.35316    66.78019
    7     5 S   CO3  _C1_     7     1.53758   112.38654   -53.66161
    8     7 S   O2Z  _O11     8     1.26355   115.02406   -44.22914
    9     7 S   O2Z  _O12     9     1.26239   114.89951   135.02477
   10     5 S   CT   _CB1    10     1.52935   107.18672  -175.28719
   11    10 S   HC   HB11    11     1.09818   109.21615   -51.47647
   12    10 S   HC   HB12    12     1.09655   109.99282    64.85673
   13    10 S   CT   _CG1    13     1.53046   113.36951  -173.25733
   14    13 S   HC   HG11    14     1.09578   110.33142   -63.01611
   15    13 S   HC   HG12    15     1.09601   110.31029    56.45656
   16    13 S   C    _CD1    16     1.51824   111.60823   176.36692
   17    16 S   O    _OE1    17     1.22788   122.89834   -14.09611
   18    16 S   N    _N2_    18     1.38607   112.23412   166.74553
   19    18 S   H    _HN2    19     1.01580   119.10594     2.73352
   20    18 S   CT1  _CA2    20     1.46063   123.19863  -179.50663
   21    20 S   HC   _HA2    21     1.09489   109.38572     1.59324
   22    20 S   C    _C2_    22     1.53338   108.68002  -112.84062
   23    22 S   O    _O2_    23     1.23008   122.29082  -140.13039
   24    20 S   CT   _CB2    32     1.53417   112.13182   123.88685
   25    24 S   HC   HB21    33     1.09681   109.36979    64.69906
   26    24 S   HC   HB22    34     1.09500   110.55560  -178.89518
   27    22 S   N    _N3_    24     1.38527   113.27532    47.47352
   28    27 S   H    _HN3    25     1.01481   119.11089    -0.73595
   29    24 S   S    _SG2    35     1.83392   115.98467   -54.91030
   30    27 S   CT   _CA3    26     1.45408   123.11216   173.14362
   31    30 S   HC   HA31    27     1.09539   108.88575    31.30326
   32    30 S   HC   HA32    28     1.09476   107.21053   148.42027
   33    29 S   CT   _C13    36     1.83958   101.70392   -56.59828
   34    33 S   HC   _H3_    37     1.09206   108.39903    46.90591
   35    30 S   CO3  _C3_    29     1.53051   113.43441   -91.73495
   36    35 S   O2Z  _O31    30     1.26383   115.70934   -35.13980
   37    35 S   O2Z  _O32    31     1.26393   114.76193   145.70401
   38    33 S   CT   _C14    38     1.53619   110.23743   -73.64534
   39    38 S   HC   _H17    39     1.09594   111.96595    45.49984
   40    38 S   HC   _H18    40     1.09671   111.37446   -74.14228
   41    33 S   CT   _C12    58     1.54668   110.34701   163.23448
   42    41 S   HC   _H15    59     1.09822   110.45929    62.64363
   43    41 S   HC   _H16    60     1.09773   108.37394   178.52488
   44    38 S   C    _C15    41     1.51759   110.75492   165.04227
   45    44 S   O    _O33    42     1.22831   121.78443   101.38082
   46    41 S   CT   _C11    61     1.53471   113.54821   -60.99528
   47    46 S   HC   _H13    62     1.09638   110.19147    76.55164
   48    46 S   HC   _H14    63     1.09278   109.92322   -39.91410
   49    44 S   N    _N4_    43     1.38439   112.76008   -77.13335
   50    49 S   H    _H19    44     1.01507   119.30959    -4.74285
   51    46 S   CM   _C10    64     1.50357   111.68516  -163.86925
   52    51 S   HC   _H12    65     1.08905   115.21454   -71.44468
   53    49 S   CT   _C16    45     1.45210   123.27498   175.08657
   54    53 S   HC   _H20    46     1.09554   106.78976   129.99723
   55    53 S   HC   _H21    47     1.09556   109.45276    13.88689
   56    51 S   CM   _C9_    66     1.34299   127.50822   110.40845
   57    56 S   HC   _H11    67     1.08867   117.43248   177.66678
   58    53 S   CT   _C17    48     1.53771   112.94833  -108.79224
   59    58 S   HC   _H22    49     1.09782   107.09776   177.99172
   60    56 S   CM   _C8_    68     1.44629   126.22851    -2.75250
   61    60 S   HC   _H10    69     1.08614   117.67795    -7.74689
   62    58 S   CT   _C18    50     1.52979   111.78019   -64.69018
   63    62 S   HC   _H23    51     1.09412   111.77569    64.27276
   64    62 S   HC   _H24    52     1.09525   110.65277  -175.61197
   65    62 S   HC   _H25    53     1.09505   110.75103   -56.22039
   66    58 S   CT   _C19    54     1.52960   112.26051    60.14753
   67    66 S   HC   _H26    55     1.09464   111.77676   -66.70725
   68    66 S   HC   _H27    56     1.09539   110.55721   173.51006
   69    66 S   HC   _H28    57     1.09492   110.84913    54.09034
   70    60 S   CM   _C7_    70     1.34151   123.27149   172.34514
   71    70 S   HC   _H9_    71     1.08758   120.12729    -0.06853
   72    70 S   CM   _C6_    72     1.44623   122.60398  -179.34658
   73    72 S   HC   _H8_    73     1.08771   117.29282    -1.70869
   74    72 S   CM   _C5_    74     1.34085   123.18048   178.20398
   75    74 S   HC   _H7_    75     1.08751   120.13726     0.14671
   76    74 S   CT   _C4_    76     1.49364   123.64265  -179.93439
   77    76 S   HC   _H4_    77     1.09425   109.89880  -120.42377
   78    76 S   HC   _H5_    78     1.09461   112.30061     0.03956
   79    76 S   HC   _H6_    79     1.09428   109.87728   120.44937
  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
  14   8   2   1   1  11   5   4   9   5   4   7   3   7   4   3
   8   4   6   3  12   5   4   6   3   9   8   6   3   7   3   2
   1   3   2   1   1   6   3   7   3   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    41    42    43    46    47    48    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    49    50    53    41    42    43    46  
   40    44    45    49    41  
   44    45    49    41  
   42    43    46    47    48    51    52    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    53    54    55    58  
   49    50    53  
   47    48    51    52    56    57    60  
   48    51    52    56  
   51    52    56  
   50    53    54    55    58    59    62    66  
   53    54    55    58  
   52    56    57    60    61    70  
   56    57    60  
   54    55    58    59    62    63    64    65    66    67    68    69  
   55    58    59    62    66  
   58    59    62    66  
   57    60    61    70    71    72  
   60    61    70  
   59    62    63    64    65    66    67    68    69  
   62    63    64    65    66    67    68    69  
   61    70    71    72    73    74  
   70    71    72  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    56   549.000  1.340
   56    57   340.000  1.080
   56    60   380.000  1.444
   60    61   340.000  1.080
   60    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   340.000  1.080
   74    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    70.00000  116.60000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    53    50.00000  121.90000
   49    44    45    80.00000  122.90000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    58    70.00000  110.72300
   53    49    50    38.00000  118.40000
   53    58    59    37.50000  110.70000
   53    58    62    58.35000  112.70000
   53    58    66    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    69    37.50000  110.70000
   62    58    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    70.00000  112.02700
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    56    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    60    70.00000  123.01800
   56    51    52    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    70    70.00000  123.01800
   60    56    57    35.00000  120.00000
   60    70    71    35.00000  120.00000
   60    70    72    70.00000  123.01800
   70    60    61    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    35.00000  120.00000
   72    74    76    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    35.00000  117.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   1.39750  1.0 1.0
   33    38    44    49  -0.07950 -1.0 2.0
   33    38    44    49  -0.18750  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.34400  1.0 1.0
   33    41    46    51   0.09450 -1.0 2.0
   33    41    46    51   0.11100  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    44  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    44    49    50   2.45000 -1.0 2.0
   38    44    49    53   1.49850  1.0 1.0
   38    44    49    53   1.53950 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    49   0.00000  1.0 1.0
   44    49    53    54   0.00000  1.0 1.0
   44    49    53    55   0.00000  1.0 1.0
   44    49    53    58  -0.43950  1.0 1.0
   44    49    53    58  -0.08100 -1.0 2.0
   44    49    53    58   0.03350  1.0 3.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    53   3.04450 -1.0 2.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    62   0.43900  1.0 1.0
   49    53    58    62   0.49100 -1.0 2.0
   49    53    58    62   0.28400  1.0 3.0
   49    53    58    66   0.43900  1.0 1.0
   49    53    58    66   0.49100 -1.0 2.0
   49    53    58    66   0.28400  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   50    49    53    58   0.00000  1.0 1.0
   53    58    62    63   0.15000  1.0 3.0
   53    58    62    64   0.15000  1.0 3.0
   53    58    62    65   0.15000  1.0 3.0
   53    58    66    67   0.15000  1.0 3.0
   53    58    66    68   0.15000  1.0 3.0
   53    58    66    69   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    62   0.15000  1.0 3.0
   54    53    58    66   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    62   0.15000  1.0 3.0
   55    53    58    66   0.15000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    69   0.15000  1.0 3.0
   62    58    66    67   0.15000  1.0 3.0
   62    58    66    68   0.15000  1.0 3.0
   62    58    66    69   0.15000  1.0 3.0
   66    58    62    63   0.15000  1.0 3.0
   66    58    62    64   0.15000  1.0 3.0
   66    58    62    65   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    56   0.09850  1.0 1.0
   41    46    51    56   0.15250 -1.0 2.0
   41    46    51    56  -0.50650  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   7.00000 -1.0 2.0
   46    51    56    60   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    56   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    56   0.00000  1.0 1.0
   51    56    60    61  -0.18600  1.0 3.0
   51    56    60    70   0.28850  1.0 1.0
   51    56    60    70   2.61350 -1.0 2.0
   51    56    60    70   0.78400  1.0 3.0
   52    51    56    57   7.00000 -1.0 2.0
   52    51    56    60   7.00000 -1.0 2.0
   56    60    70    71   7.00000 -1.0 2.0
   56    60    70    72   7.00000 -1.0 2.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    70  -0.18600  1.0 3.0
   60    70    72    73  -0.18600  1.0 3.0
   60    70    72    74   0.28850  1.0 1.0
   60    70    72    74   2.61350 -1.0 2.0
   60    70    72    74   0.78400  1.0 3.0
   61    60    70    71   7.00000 -1.0 2.0
   61    60    70    72   7.00000 -1.0 2.0
   70    72    74    75   7.00000 -1.0 2.0
   70    72    74    76   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    76    77   0.00000  1.0 1.0
   72    74    76    78   0.00000  1.0 1.0
   72    74    76    79   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   75    74    76    77   0.33100  1.0 3.0
   75    74    76    78   0.33100  1.0 3.0
   75    74    76    79   0.33100  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
   38    49    44    45  10.50000 -1.0 2.0
   50    44    49    53   1.00000 -1.0 2.0
   46    52    51    56  15.00000 -1.0 2.0
   60    57    56    51  15.00000 -1.0 2.0
   56    61    60    70  15.00000 -1.0 2.0
   72    71    70    60  15.00000 -1.0 2.0
   70    73    72    74  15.00000 -1.0 2.0
   76    75    74    72  15.00000 -1.0 2.0
END
