* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    134    203     388
    1     0 S   NP   _N1_     1    28.91839    92.91730   -22.54538
    2     1 S   H    _HN1     2     1.03421    99.19381   -78.30535
    3     1 S   H    _H1_     3     1.02887    92.26242    29.88437
    4     1 S   H    _H2_     4     1.02747    21.03666   166.66689
    5     1 S   CT   _CA1     5     1.49841   131.64356   150.57121
    6     5 S   HC   _HA1     6     1.09579   105.24347    64.27262
    7     5 S   CO3  _C1_     7     1.53809   112.32228   -55.85586
    8     7 S   O2Z  _O11     8     1.26372   115.10675   -45.85252
    9     7 S   O2Z  _O12     9     1.26272   114.94423   133.36462
   10     5 S   CT   _CB1    10     1.53124   107.53189  -177.92227
   11    10 S   HC   HB11    11     1.09780   109.35401   -51.69117
   12    10 S   HC   HB12    12     1.09818   110.49993    64.96105
   13    10 S   CT   _CG1    13     1.52958   112.55210  -172.57212
   14    13 S   HC   HG11    14     1.09602   110.38961   -63.15712
   15    13 S   HC   HG12    15     1.09658   109.97763    55.98812
   16    13 S   C    _CD1    16     1.51804   112.47307   176.39060
   17    16 S   O    _OE1    17     1.22710   123.33030    -2.92690
   18    16 S   N    _N2_    18     1.38680   111.45024   177.16538
   19    18 S   H    _HN2    19     1.01574   118.99734     0.96002
   20    18 S   CT1  _CA2    20     1.46207   123.45559  -179.39834
   21    20 S   HC   _HA2    21     1.09540   109.13504   -12.94988
   22    20 S   C    _C2_    22     1.53395   107.98112  -128.03947
   23    22 S   O    _O2_    23     1.23005   122.61760  -145.00366
   24    20 S   CT   _CB2    32     1.53446   111.67557   109.82803
   25    24 S   HC   HB21    33     1.09665   109.44079    60.47786
   26    24 S   HC   HB22    34     1.09511   111.14310   177.68210
   27    22 S   N    _N3_    24     1.38465   113.33065    42.12344
   28    27 S   H    _HN3    25     1.01649   119.45139    -3.25113
   29    24 S   S    _SG2    35     1.83057   114.04608   -58.57293
   30    27 S   CT   _CA3    26     1.45270   122.98838   176.95008
   31    30 S   HC   HA31    27     1.09556   107.47479   -64.51160
   32    30 S   HC   HA32    28     1.09561   107.98066    51.86033
   33    29 S   CT   _C18    36     1.84298   100.24359   -74.45439
   34    33 S   HC   _H3_    37     1.09220   106.06717    41.24488
   35    30 S   CO3  _C3_    29     1.52896   114.24251   173.86215
   36    35 S   O2Z  _O31    30     1.26345   116.09861    -1.79286
   37    35 S   O2Z  _O32    31     1.26440   114.39728   178.30442
   38    33 S   CA   _C13    38     1.52149   110.67656   157.76291
   39    33 S   CM   _C19    75     1.50447   109.29494   -77.64005
   40    39 S   HC   _H16    76     1.09069   117.60414   -51.27931
   41    38 S   CA   _C12    39     1.40596   119.24943  -115.81916
   42    41 S   HA   _H10    40     1.08981   119.13175    -0.64285
   43    39 S   CMA  _C20    77     1.51525   123.08876   129.01134
   44    43 S   OM   _O37    78     1.26219   119.31514  -177.00840
   45    43 S   OM   _O38    79     1.26177   122.31251     3.06363
   46    41 S   CA   _C11    41     1.40446   121.70226   179.73756
   47    46 S   CA   _C9_    42     1.47210   119.81493   179.59555
   48    46 S   CA   _C16    64     1.40354   117.83046    -0.45456
   49    47 S   CA   _C8_    43     1.40592   119.92410    71.53526
   50    49 S   HA   _H8_    44     1.08932   118.71154     1.17819
   51    48 S   CA   _C15    65     1.40256   121.79844     0.77177
   52    48 S   OH   _O35    73     1.37476   118.82441  -178.73267
   53    52 S   HO   _H12    74     0.97355   107.24338  -179.26458
   54    49 S   CA   _C7_    45     1.40387   121.41191  -179.52563
   55    38 S   CA   _C14    66     1.40627   121.97657    64.12751
   56    55 S   HA   _H11    67     1.08604   118.33745     0.33161
   57    51 S   OS   _O36    68     1.37178   115.49601   179.78150
   58    54 S   CA   _C6_    46     1.40432   119.06187    -1.21499
   59    58 S   HA   _H7_    47     1.08690   118.46952  -179.09604
   60    54 S   CM   _C21    57     1.47328   122.52716  -178.56714
   61    60 S   HC   _H17    58     1.08765   115.26025   147.70218
   62    57 S   CT   _C17    69     1.42270   116.91860  -179.18555
   63    62 S   HC   _H13    70     1.09429   107.72483   179.45679
   64    62 S   HC   _H14    71     1.09501   111.16580    61.73279
   65    62 S   HC   _H15    72     1.09498   111.12483   -62.84740
   66    58 S   CA   _C5_    48     1.39708   120.78087     1.50103
   67    60 S   CM   _C22    59     1.34096   124.54970   -33.53463
   68    67 S   HC   _H18    60     1.08839   120.48364     0.11364
   69    47 S   CA   _C10    49     1.40409   122.13529  -108.08532
   70    66 S   OS   _O33    52     1.37147   125.47932   179.26618
   71    67 S   CO3  _C23    61     1.53344   121.35209  -179.70064
   72    71 S   O2Z  _O40    62     1.26173   117.15146     9.23672
   73    71 S   O2Z  _O39    63     1.26723   113.78046  -170.37708
   74    69 S   OH   _O34    50     1.37435   118.83263     0.75950
   75    74 S   HO   _H9_    51     0.97338   107.42955   179.46150
   76    70 S   CT   _C4_    53     1.42262   117.01785     0.04423
   77    76 S   HC   _H4_    54     1.09428   107.73279   179.98022
   78    76 S   HC   _H5_    55     1.09497   111.13658    62.27580
   79    76 S   HC   _H6_    56     1.09497   111.13789   -62.28133
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   6   3  10   4   2   1   1  13  13   9
  10   4   9   3   1  10   3   1   4   9   4   7   3   3   2   1
   1   8   4   3   4   5   2   1   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    51    55    56    39    40    43    44    45  
   38    41    55    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    51    55    56    57    39    40    43  
   40    43    44    45    41    55  
   43    44    45  
   42    46    47    49    69    48    51    55    56    52  
   46    47    48    55  
   44    45  
   45  
    0  
   47    49    50    54    66    69    74    48    51    55    57    52    53  
   49    50    54    58    66    69    74    75    70    60    48    51    52  
   51    55    56    57    62    52    53    49    69  
   50    54    58    59    66    69    74    60    61    67  
   54    58    69    60  
   55    56    57    62    63    64    65    52    53  
   53    55    57  
    0  
   58    59    66    69    70    60    61    67    68    71  
   56    57    62  
   57  
   62    63    64    65  
   59    66    69    74    70    76    60    61    67  
   66    69    70    60  
   61    67    68    71    72    73    66  
   67    68    71  
   63    64    65  
   64    65  
   65  
    0  
   69    74    75    70    76    77    78    79  
   68    71    72    73  
   71    72    73  
   74    75    70    76  
   76    77    78    79    74  
   72    73  
   73  
    0  
   75  
    0  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   375.000  1.464
   46    48   469.000  1.400
   47    49   469.000  1.400
   47    69   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    58   469.000  1.400
   54    60   320.000  1.460
   58    59   367.000  1.080
   58    66   469.000  1.400
   66    69   469.000  1.400
   66    70   450.000  1.364
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   60    61   340.000  1.080
   60    67   549.000  1.340
   67    68   340.000  1.080
   67    71   230.000  1.545
   71    72   656.000  1.250
   71    73   656.000  1.250
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    55   469.000  1.400
   51    57   450.000  1.364
   55    56   367.000  1.080
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    55    51    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    46    47    60.00000  122.76000
   41    46    48    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    47    49    60.00000  122.76000
   46    47    69    60.00000  122.76000
   46    48    51    63.00000  120.00000
   46    48    52    70.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    54    63.00000  120.00000
   47    69    66    63.00000  120.00000
   47    69    74    70.00000  120.00000
   49    54    58    63.00000  120.00000
   49    54    60    60.00000  120.93500
   54    49    50    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    66    63.00000  120.00000
   54    60    61    40.00000  117.26300
   54    60    67    60.00000  123.20500
   58    66    69    63.00000  120.00000
   58    66    70    70.00000  120.00000
   66    58    59    35.00000  120.00000
   66    69    74    70.00000  120.00000
   66    70    76    75.00000  111.00000
   69    47    49    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    66    69    70.00000  120.00000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   60    54    58    60.00000  120.93500
   60    67    68    35.00000  120.00000
   60    67    71    55.00000  124.75400
   67    60    61    35.00000  120.00000
   67    71    72    85.00000  113.83300
   67    71    73    85.00000  113.83300
   71    67    68    40.00000  118.53000
   73    71    72    80.00000  126.00000
   48    46    47    60.00000  122.76000
   48    51    55    63.00000  120.00000
   48    51    57    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    55    56    35.00000  120.00000
   51    57    62    75.00000  111.00000
   55    38    41    63.00000  120.00000
   57    51    55    70.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    55    51   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    55    51   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    46    47    49  -0.19450  1.0 1.0
   41    46    47    49   0.63300 -1.0 2.0
   41    46    47    49   0.07450  1.0 3.0
   41    46    47    69  -0.19450  1.0 1.0
   41    46    47    69   0.63300 -1.0 2.0
   41    46    47    69   0.07450  1.0 3.0
   41    46   -48    51   3.62500 -1.0 2.0
   41    46    48    52   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    54   3.62500 -1.0 2.0
   46    47    69    66   3.62500 -1.0 2.0
   46    47    69    74   3.62500 -1.0 2.0
   46    48    51    55   3.62500 -1.0 2.0
   46    48    51    57   3.62500 -1.0 2.0
   46    48    52    53   0.84100 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   47    46    48    52   3.62500 -1.0 2.0
   47    49    54    58   3.62500 -1.0 2.0
   47    49    54    60   3.62500 -1.0 2.0
   47    69    74    75   0.84100 -1.0 2.0
   49    47    69    66   3.62500 -1.0 2.0
   49    47    69    74   3.62500 -1.0 2.0
   49    54    58    59   3.62500 -1.0 2.0
   49    54   -58    66   3.62500 -1.0 2.0
   49    54    60    61   0.56550  1.0 3.0
   49    54    60    67   0.15800  1.0 1.0
   49    54    60    67   1.85350 -1.0 2.0
   49    54    60    67  -0.48700  1.0 3.0
   50    49    54    58   3.62500 -1.0 2.0
   50    49    54    60   3.62500 -1.0 2.0
   54    58    66    69   3.62500 -1.0 2.0
   54    58    66    70   3.62500 -1.0 2.0
   54    60    67    68   7.00000 -1.0 2.0
   54    60    67    71   7.00000 -1.0 2.0
   58    54    60    61   0.56550  1.0 3.0
   58    54    60    67   0.15800  1.0 1.0
   58    54    60    67   1.85350 -1.0 2.0
   58    54    60    67  -0.48700  1.0 3.0
   58    66   -69    47   3.62500 -1.0 2.0
   58    66    69    74   3.62500 -1.0 2.0
   58    66    70    76   1.63200 -1.0 2.0
   59    58    66    69   3.62500 -1.0 2.0
   59    58    66    70   3.62500 -1.0 2.0
   66    69    74    75   0.84100 -1.0 2.0
   66    70    76    77   0.08050  1.0 3.0
   66    70    76    78   0.08050  1.0 3.0
   66    70    76    79   0.08050  1.0 3.0
   69    47    49    50   3.62500 -1.0 2.0
   69    47   -49    54   3.62500 -1.0 2.0
   69    66    70    76   1.63200 -1.0 2.0
   70    66    69    47   3.62500 -1.0 2.0
   70    66    69    74   3.62500 -1.0 2.0
   60    54    58    59   3.62500 -1.0 2.0
   60    54    58    66   3.62500 -1.0 2.0
   60    67    71    72  -0.04000 -1.0 2.0
   60    67    71    72  -0.29050  1.0 3.0
   60    67    71    73  -0.04000 -1.0 2.0
   60    67    71    73  -0.29050  1.0 3.0
   61    60    67    68   7.00000 -1.0 2.0
   61    60    67    71   7.00000 -1.0 2.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   48    46    47    49  -0.19450  1.0 1.0
   48    46    47    49   0.63300 -1.0 2.0
   48    46    47    49   0.07450  1.0 3.0
   48    46    47    69  -0.19450  1.0 1.0
   48    46    47    69   0.63300 -1.0 2.0
   48    46    47    69   0.07450  1.0 3.0
   48    51   -55    38   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    57    62   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    57    62    63   0.08050  1.0 3.0
   51    57    62    64   0.08050  1.0 3.0
   51    57    62    65   0.08050  1.0 3.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    46   3.62500 -1.0 2.0
   55    51    57    62   1.63200 -1.0 2.0
   57    51    55    38   3.62500 -1.0 2.0
   57    51    55    56   3.62500 -1.0 2.0
   52    48    51    55   3.62500 -1.0 2.0
   52    48    51    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    55   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   41    55    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    48    46    41   4.00000 -1.0 2.0
   49    69    47    46   4.00000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   58    60    54    49   4.00000 -1.0 2.0
   66    59    58    54   1.10000 -1.0 2.0
   69    70    66    58   4.00000 -1.0 2.0
   66    74    69    47   4.00000 -1.0 2.0
   54    61    60    67  15.00000 -1.0 2.0
   71    68    67    60  15.00000 -1.0 2.0
   72    67    71    73  10.50000 -1.0 2.0
   51    52    48    46   4.00000 -1.0 2.0
   55    57    51    48   4.00000 -1.0 2.0
   51    56    55    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
