* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    141    225     416
    1     0 S   NP   _N1_     1    31.11858   100.56219   -24.29599
    2     1 S   H    _HN1     2     1.03476   164.51245  -104.52969
    3     1 S   H    _H1_     3     1.02838    59.15872   -67.28230
    4     1 S   H    _H2_     4     1.02763    71.00599   168.01633
    5     1 S   CT   _CA1     5     1.50102    82.24146    52.74483
    6     5 S   HC   _HA1     6     1.09391   104.71628   125.41954
    7     5 S   CO3  _C1_     7     1.53797   113.51622     5.30434
    8     7 S   O2Z  _O11     8     1.26408   115.08045   -22.04251
    9     7 S   O2Z  _O12     9     1.26245   115.19555   157.49623
   10     5 S   CT   _CB1    10     1.53085   107.50282  -116.32724
   11    10 S   HC   HB11    11     1.09520   109.56060   -38.21205
   12    10 S   HC   HB12    12     1.09832   110.21376    77.38254
   13    10 S   CT   _CG1    13     1.53229   112.96537  -160.96967
   14    13 S   HC   HG11    14     1.09561   110.73048   -95.98316
   15    13 S   HC   HG12    15     1.09588   111.63882    23.10495
   16    13 S   C    _CD1    16     1.51549   110.24516   143.58416
   17    16 S   O    _OE1    17     1.22766   121.99847    95.06272
   18    16 S   N    _N2_    18     1.38569   112.40633   -82.94931
   19    18 S   H    _HN2    19     1.01550   118.86392    -1.00405
   20    18 S   CT1  _CA2    20     1.46147   123.78653   176.54696
   21    20 S   HC   _HA2    21     1.09688   109.10234   -12.68184
   22    20 S   C    _C2_    22     1.53816   108.93967  -128.81885
   23    22 S   O    _O2_    23     1.23069   121.97647  -158.83643
   24    20 S   CT   _CB2    32     1.53548   112.03966   109.71573
   25    24 S   HC   HB21    33     1.09521   109.89102    60.78306
   26    24 S   HC   HB22    34     1.09575   109.95437   178.66382
   27    22 S   N    _N3_    24     1.38241   114.05057    27.16981
   28    27 S   H    _HN3    25     1.01428   119.04032    -0.08847
   29    24 S   S    _SG2    35     1.82769   112.58402   -60.76305
   30    27 S   CT   _CA3    26     1.45308   123.70887   179.83807
   31    30 S   HC   HA31    27     1.09535   107.11861   -75.72391
   32    30 S   HC   HA32    28     1.09546   108.48666    40.84509
   33    29 S   CA   _C11    36     1.80462    99.06272  -179.12643
   34    30 S   CO3  _C3_    29     1.53095   114.10722   163.03149
   35    34 S   O2Z  _O31    30     1.26452   116.29226    -5.01751
   36    34 S   O2Z  _O32    31     1.26393   114.46695   175.02425
   37    33 S   CA   _C10    37     1.40898   120.54971   -87.03160
   38    37 S   CA   _C9_    38     1.40316   121.08888  -178.81139
   39    37 S   C    _C13    57     1.48072   120.82613     0.11869
   40    39 S   O    _O33    58     1.22499   119.72811   -72.48610
   41    38 S   CA   _C8_    39     1.40228   120.20892    -1.34668
   42    38 S   OH   _O36    55     1.37153   117.42462   178.33094
   43    42 S   HO   _H18    56     0.97328   109.81566  -175.79071
   44    39 S   N    _N4_    59     1.38162   113.57296   106.66513
   45    44 S   H    _H10    60     1.01634   119.71081     0.76259
   46    41 S   CA   _C7_    40     1.40863   119.81427    -0.16786
   47    44 S   CT1  _C14    61     1.46528   123.18740  -176.08008
   48    47 S   HC   _H4_    62     1.09718   107.30984   -39.65324
   49    33 S   CA   _C12    41     1.41303   121.11551    93.43141
   50    49 S   Cl   Cl1_    42     1.74343   120.10369     1.42697
   51    46 S   CT   _C6_    43     1.50905   117.81235  -179.97202
   52    51 S   HC   _H8_    44     1.09385   112.16570   153.45139
   53    51 S   HC   _H9_    45     1.09683   108.12121   -86.68090
   54    47 S   CO3  _C22    63     1.54171   110.74103  -159.42204
   55    54 S   O2Z  _O35    64     1.26480   115.42903   -52.85253
   56    54 S   O2Z  _O34    65     1.26368   114.98501   126.42959
   57    47 S   CT   _C15    66     1.53533   109.47378    79.88557
   58    57 S   HC   _H11    67     1.09845   110.43571    63.30315
   59    57 S   HC   _H12    68     1.09776   109.51498   -51.81610
   60    51 S   CT   _C5_    46     1.52047   108.39694    34.05485
   61    60 S   HC   _H3_    47     1.09786   111.44893    60.83525
   62    57 S   CA   _C16    69     1.50793   114.32003  -172.51586
   63    60 S   OS   _O38    48     1.43823   109.41112   -58.50309
   64    60 S   CT   _C4_    51     1.52233   111.42156  -177.38731
   65    64 S   HC   _H5_    52     1.09565   111.02801    60.38077
   66    64 S   HC   _H6_    53     1.09416   111.33219   -60.95598
   67    64 S   HC   _H7_    54     1.09540   110.35326   178.37816
   68    62 S   CA   _C17    70     1.40135   120.53095  -104.55654
   69    68 S   HA   _H13    71     1.08739   120.37540     0.59807
   70    41 S   CO4  _C23    49     1.49168   120.51423   177.26870
   71    70 S   O    _O37    50     1.22453   121.36490   -14.64742
   72    68 S   CA   _C18    72     1.39569   120.42998  -179.47961
   73    72 S   HA   _H14    73     1.08615   119.90932  -180.00000
   74    72 S   CA   _C19    74     1.39359   120.06362    -0.01978
   75    74 S   HA   _H15    75     1.08601   120.06795   179.89347
   76    74 S   CA   _C20    76     1.39364   119.94289    -0.14537
   77    76 S   HA   _H16    77     1.08627   120.02677   179.74977
   78    62 S   CA   _C21    78     1.40115   120.41087    75.72077
   79    78 S   HA   _H17    79     1.08732   120.30933    -0.10279
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  13  12  10   3  12   3   1  10   4  11  10   7
   6   1  10   5   4   6   2   1   9   4   3   8   6   9   6   4
   2   1   1   8   4   1   1   6   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    49    50    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    49    50    51    42    39    40    44  
   35    36  
   36  
    0  
   38    41    46    49    50    70    42    43    39    40    44    45    47  
   41    46    49    51    63    70    71    42    43    39    40    44  
   40    44    45    47    48    54    57    41    42    49  
   44    45    47  
   46    49    50    51    52    53    60    63    70    71    42    43  
   43    46    70  
    0  
   45    47    48    54    55    56    57    58    59    62  
   47    48    54    57  
   49    50    51    52    53    60    61    63    70    71    64  
   48    54    55    56    57    58    59    62    68    78  
   54    55    56    57    58    59    62  
   50    51    52    53    60    70  
   51  
   52    53    60    61    63    70    64    65    66    67  
   53    60    61    63    64  
   60    61    63    64  
   55    56    57    58    59    62  
   56    57  
   57  
   58    59    62    68    69    72    76    78    79  
   59    62    68    78  
   62    68    78  
   61    63    70    71    64    65    66    67  
   63    70    64    65    66    67  
   68    69    72    73    74    76    77    78    79  
   70    71    64    65    66    67  
   65    66    67    70  
   66    67  
   67  
    0  
   69    72    73    74    75    76    78    79  
   72    73    74    78  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5000   0.0660  -0.005000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    49   469.000  1.400
   37    38   469.000  1.400
   37    39   400.000  1.490
   38    41   469.000  1.400
   38    42   450.000  1.364
   41    46   469.000  1.400
   41    70   310.000  1.470
   46    49   469.000  1.400
   46    51   317.000  1.510
   49    50   300.000  1.725
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    63   320.000  1.410
   60    64   268.000  1.529
   63    70   214.000  1.327
   70    71   570.000  1.229
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   42    43   553.000  0.945
   39    40   570.000  1.229
   39    44   490.000  1.335
   44    45   434.000  1.010
   44    47   337.000  1.449
   47    48   340.000  1.090
   47    54   317.000  1.522
   47    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    68   469.000  1.400
   62    78   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    49    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    39    85.00000  120.00000
   33    49    46    63.00000  120.00000
   33    49    50    75.00000  120.00000
   37    38    41    63.00000  120.00000
   37    38    42    70.00000  120.00000
   37    39    40    80.00000  120.40000
   37    39    44    75.00000  113.92100
   38    41    46    63.00000  120.00000
   38    41    70    60.00000  119.52600
   38    42    43    35.00000  113.00000
   41    46    49    63.00000  120.00000
   41    46    51    70.00000  120.00000
   41    70    63    81.00000  111.40000
   41    70    71    75.00000  123.78400
   46    49    50    75.00000  120.00000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    60    70.00000  112.17500
   49    33    37    63.00000  120.00000
   51    46    49    70.00000  120.00000
   51    60    61    37.50000  110.70000
   51    60    63    50.00000  109.50000
   51    60    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   60    63    70    83.00000  116.90000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   63    60    61    35.00000  109.50000
   63    70    71    83.00000  123.40000
   70    41    46    60.00000  119.52600
   64    60    61    37.50000  110.70000
   64    60    63    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   42    38    41    70.00000  120.00000
   39    37    38    85.00000  120.00000
   39    44    45    35.00000  119.80000
   39    44    47    50.00000  121.90000
   44    39    40    80.00000  122.90000
   44    47    48    35.00000  109.50000
   44    47    54    63.00000  110.10000
   44    47    57    80.00000  109.70000
   47    44    45    38.00000  118.40000
   47    54    55    70.00000  117.00000
   47    54    56    70.00000  117.00000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    57    62    63.00000  114.00000
   54    47    48    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    47    48    37.50000  110.70000
   57    47    54    63.00000  111.10000
   57    62    68    70.00000  120.00000
   57    62    78    70.00000  120.00000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    68    69    35.00000  120.00000
   62    68    72    63.00000  120.00000
   62    78    76    63.00000  120.00000
   62    78    79    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   78    62    68    63.00000  120.00000
   78    76    77    35.00000  120.00000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.63250 -1.0 2.0
   24    29    33    49   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    49    46   3.62500 -1.0 2.0
   29    33    49    50   3.62500 -1.0 2.0
   33    37    38    41   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    39    40   1.05000 -1.0 2.0
   33    37    39    44   0.75700  1.0 1.0
   33    37    39    44   0.34650 -1.0 2.0
   33    37    39    44   0.33000  1.0 3.0
   33    37    39    44  -0.28100 -1.0 4.0
   37    33    49    46   3.62500 -1.0 2.0
   37    33    49    50   3.62500 -1.0 2.0
   37    38   -41    46   3.62500 -1.0 2.0
   37    38    41    70   3.62500 -1.0 2.0
   37    38    42    43   0.84100 -1.0 2.0
   37    39    44    45   2.56700 -1.0 2.0
   37    39    44    47   1.49850  1.0 1.0
   37    39    44    47   1.53950 -1.0 2.0
   38    37    39    40   1.05000 -1.0 2.0
   38    37    39    44   0.75700  1.0 1.0
   38    37    39    44   0.34650 -1.0 2.0
   38    37    39    44   0.33000  1.0 3.0
   38    37    39    44  -0.28100 -1.0 4.0
   38    41    46    49   3.62500 -1.0 2.0
   38    41    46    51   3.62500 -1.0 2.0
   38    41    70    63   0.98750 -1.0 2.0
   38    41    70    71   1.05000 -1.0 2.0
   41    38    42    43   0.84100 -1.0 2.0
   41    46   -49    33   3.62500 -1.0 2.0
   41    46    49    50   3.62500 -1.0 2.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    53   0.00000  1.0 1.0
   41    46    51    60   0.04150 -1.0 2.0
   46    41    70    63   0.98750 -1.0 2.0
   46    41    70    71   1.05000 -1.0 2.0
   46    51    60    61   0.43200  1.0 3.0
   46    51   -60    63  -0.64350  1.0 1.0
   46    51   -60    63  -0.04200 -1.0 2.0
   46    51   -60    63   0.19800  1.0 3.0
   46    51    60    64  -0.03700  1.0 1.0
   46    51    60    64   0.37200 -1.0 2.0
   46    51    60    64  -0.47300  1.0 3.0
   49    33   -37    38   3.62500 -1.0 2.0
   49    33    37    39   3.62500 -1.0 2.0
   49    46    51    52   0.00000  1.0 1.0
   49    46    51    53   0.00000  1.0 1.0
   49    46    51    60   0.04150 -1.0 2.0
   51    46    49    33   3.62500 -1.0 2.0
   51    46    49    50   3.62500 -1.0 2.0
   51    60    63    70  -0.25900  1.0 1.0
   51    60    63    70  -0.47000 -1.0 2.0
   51    60    63    70   0.11750  1.0 3.0
   51    60    64    65   0.15000  1.0 3.0
   51    60    64    66   0.15000  1.0 3.0
   51    60    64    67   0.15000  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    63   0.23400  1.0 3.0
   52    51    60    64   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    63   0.23400  1.0 3.0
   53    51    60    64   0.15000  1.0 3.0
   60    63   -70    41   0.59950  1.0 1.0
   60    63   -70    41   3.24850 -1.0 2.0
   60    63    70    71   3.00000 -1.0 2.0
   61    60    63    70   0.08050  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   63    60    64    65   0.23400  1.0 3.0
   63    60    64    66   0.23400  1.0 3.0
   63    60    64    67   0.23400  1.0 3.0
   70    41    46    49   3.62500 -1.0 2.0
   70    41   -46    51   3.62500 -1.0 2.0
   64    60    63    70  -0.25900  1.0 1.0
   64    60    63    70  -0.47000 -1.0 2.0
   64    60    63    70   0.11750  1.0 3.0
   42    38    41    46   3.62500 -1.0 2.0
   42    38    41    70   3.62500 -1.0 2.0
   39    37    38    41   3.62500 -1.0 2.0
   39    37    38    42   3.62500 -1.0 2.0
   39    44    47    48   0.00000  1.0 1.0
   39    44    47    54  -0.29800  1.0 1.0
   39    44    47    54   0.13950 -1.0 2.0
   39    44    47    54  -2.45650  1.0 3.0
   39    44    47    57   0.25950  1.0 1.0
   39    44    47    57   0.43850 -1.0 2.0
   39    44    47    57   2.61650  1.0 3.0
   40    39    44    45   2.45000 -1.0 2.0
   40    39    44    47   3.04450 -1.0 2.0
   44    47    54    55   0.00000  1.0 1.0
   44    47    54    56   0.00000  1.0 1.0
   44    47    57    58   0.23200  1.0 3.0
   44    47    57    59   0.23200  1.0 3.0
   44    47    57    62   0.42250  1.0 1.0
   44    47    57    62  -0.48100 -1.0 2.0
   44    47    57    62   0.35650  1.0 3.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    54   0.00000  1.0 1.0
   45    44    47    57   0.00000  1.0 1.0
   47    57    62    68   0.00000  1.0 1.0
   47    57    62    78   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    56   0.00000  1.0 1.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    59   0.15000  1.0 3.0
   48    47    57    62   0.23100  1.0 3.0
   54    47    57    58  -0.03800  1.0 3.0
   54    47    57    59  -0.03800  1.0 3.0
   54    47    57    62  -0.84850  1.0 1.0
   54    47    57    62  -0.22800 -1.0 2.0
   54    47    57    62   0.29250  1.0 3.0
   57    47    54    55   0.00000  1.0 1.0
   57    47    54    56   0.00000  1.0 1.0
   57    62    68    69   3.62500 -1.0 2.0
   57    62    68    72   3.62500 -1.0 2.0
   57    62    78    76   3.62500 -1.0 2.0
   57    62    78    79   3.62500 -1.0 2.0
   58    57    62    68   0.00000  1.0 1.0
   58    57    62    78   0.00000  1.0 1.0
   59    57    62    68   0.00000  1.0 1.0
   59    57    62    78   0.00000  1.0 1.0
   62    68    72    73   3.62500 -1.0 2.0
   62    68    72    74   3.62500 -1.0 2.0
   68    62    78    76   3.62500 -1.0 2.0
   68    62    78    79   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72   -74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -78    62   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   77    76    78    62   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    62    68    69   3.62500 -1.0 2.0
   78    62   -68    72   3.62500 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    33    29   4.00000 -1.0 2.0
   38    39    37    33   4.00000 -1.0 2.0
   41    42    38    37   4.00000 -1.0 2.0
   46    70    41    38   4.00000 -1.0 2.0
   49    51    46    41   4.00000 -1.0 2.0
   46    50    49    33   4.00000 -1.0 2.0
   41    63    70    71  10.50000 -1.0 2.0
   37    44    39    40  10.50000 -1.0 2.0
   45    39    44    47   1.00000 -1.0 2.0
   55    47    54    56  10.50000 -1.0 2.0
   68    78    62    57   4.00000 -1.0 2.0
   72    69    68    62   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   76    79    78    62   1.10000 -1.0 2.0
END
