* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    156    234     461
    1     0 S   NP   _N1_     1    28.89128    92.86387   -24.70775
    2     1 S   H    _HN1     2     1.02958    91.48415    12.07556
    3     1 S   H    _H1_     3     1.02835    15.58504  -170.70914
    4     1 S   H    _H2_     4     1.02781   113.45561   -98.66512
    5     1 S   CT   _CA1     5     1.50136   118.63189   126.34865
    6     5 S   HC   _HA1     6     1.09574   105.20917    73.96979
    7     5 S   CO3  _C1_     7     1.53779   112.38388   -46.22013
    8     7 S   O2Z  _O11     8     1.26366   114.99410   -43.45380
    9     7 S   O2Z  _O12     9     1.26236   114.93106   135.62104
   10     5 S   CT   _CB1    10     1.53083   107.41367  -168.11875
   11    10 S   HC   HB11    11     1.09830   109.31380   -50.44503
   12    10 S   HC   HB12    12     1.09816   110.42713    66.10000
   13    10 S   CT   _CG1    13     1.53022   112.69706  -171.51321
   14    13 S   HC   HG11    14     1.09590   110.52067   -64.86389
   15    13 S   HC   HG12    15     1.09656   109.91102    54.36928
   16    13 S   C    _CD1    16     1.51813   112.25469   174.72389
   17    16 S   O    _OE1    17     1.22754   123.28659     1.52470
   18    16 S   N    _N2_    18     1.38598   111.77178  -178.53180
   19    18 S   H    _HN2    19     1.01577   119.09524     3.52515
   20    18 S   CT1  _CA2    20     1.45890   122.71079   177.71758
   21    20 S   HC   _HA2    21     1.09552   109.75848    21.28618
   22    20 S   C    _C2_    22     1.52640   104.65633   -96.29142
   23    22 S   O    _O2_    23     1.23018   122.43412   -79.52028
   24    20 S   CT   _CB2    32     1.53274   111.84144   144.52773
   25    24 S   HC   HB21    33     1.09399   109.84553    50.44082
   26    24 S   HC   HB22    34     1.09306   109.52732   169.38035
   27    22 S   N    _N3_    24     1.38380   112.99462    96.13032
   28    27 S   H    _HN3    25     1.01667   120.24568     0.58484
   29    24 S   S    _SG2    35     1.82662   110.50077   -70.11297
   30    27 S   CT   _CA3    26     1.45298   122.53278  -178.81337
   31    30 S   HC   HA31    27     1.09564   107.65230   -58.99639
   32    30 S   HC   HA32    28     1.09568   107.73085    57.30888
   33    29 S   CT   _C13    36     1.85172   101.96915  -177.14830
   34    33 S   HC   _H9_    37     1.09788   103.13663  -176.43652
   35    30 S   CO3  _C3_    29     1.52885   114.40022   179.19109
   36    35 S   O2Z  _O31    30     1.26326   116.12960     1.01837
   37    35 S   O2Z  _O32    31     1.26460   114.38649  -178.86771
   38    33 S   CT   _C14    38     1.53956   112.87054   -60.14244
   39    38 S   HC   _H10    39     1.09496   110.47450    57.29085
   40    38 S   CT   _C15    40     1.53731   111.20002   176.56498
   41    40 S   HC   _H11    41     1.09526   109.89311  -175.76960
   42    38 S   OH   _O46    84     1.42635   110.12979   -61.38414
   43    42 S   HO   _H22    85     0.97225   107.75834  -171.99097
   44    40 S   CT   _C16    42     1.52624   109.11782   -52.93217
   45    44 S   HC   _H12    43     1.09897   109.88734   -58.19093
   46    40 S   OH   _O45    82     1.43136   109.18338    67.45356
   47    46 S   HO   _H21    83     0.97312   107.89735   -79.57567
   48    44 S   OS   _O42    44     1.43484   108.25159    60.56605
   49    44 S   CO3  _C17    79     1.53955   116.27021  -177.71347
   50    49 S   O2Z  _O44    80     1.26270   116.11065    15.49949
   51    49 S   O2Z  _O43    81     1.26565   114.94115  -166.49681
   52    33 S   CO   _C12    45     1.54373   112.70104    67.21314
   53    52 S   HC   _H8_    46     1.09468   111.01860   -59.55789
   54    52 S   OS   _O41    47     1.43215   108.12768    60.83764
   55    54 S   CT   _C7_    48     1.42839   114.59837  -175.30472
   56    55 S   HC   _H4_    49     1.09854   108.94266   -40.93233
   57    55 S   CT   _C6_    50     1.54236   112.28091    78.88438
   58    57 S   HC   _H3_    51     1.09554   110.42193   -64.60784
   59    57 S   CO   _C10    52     1.54029   108.62829   176.18146
   60    59 S   HC   _H7_    53     1.09763   109.52602    63.57843
   61    57 S   N    _N4_    71     1.46660   111.28872    53.62055
   62    61 S   H    _H16    72     1.01674   117.19187    41.84626
   63    59 S   OS   _O34    54     1.42801   110.79188   -56.59960
   64    59 S   OH   _O35    69     1.42313   109.96008  -178.97130
   65    64 S   HO   _H17    70     0.97165   106.83089  -158.36969
   66    61 S   C    _C5_    73     1.38171   123.78457  -142.63406
   67    66 S   O    _O33    74     1.22750   125.69084     3.37278
   68    63 S   CT   _C9_    55     1.43494   112.73201    62.61880
   69    68 S   HC   _H6_    56     1.09861   108.63496    57.02327
   70    66 S   CT   _C4_    75     1.50456   112.14838  -176.81531
   71    70 S   HC   _H13    76     1.09364   109.77584    60.36643
   72    70 S   HC   _H14    77     1.09316   109.79594  -179.94405
   73    70 S   HC   _H15    78     1.09361   109.85186   -60.04026
   74    55 S   CT   _C8_    57     1.54391   109.21788  -156.93739
   75    74 S   HC   _H5_    58     1.09664   109.56257    61.49713
   76    68 S   CT   _C11    64     1.52680   107.41057   173.67712
   77    76 S   HC   _H18    65     1.09520   111.49238    64.22724
   78    76 S   HC   _H19    66     1.09561   110.22783   -54.32578
   79    74 S   OS   _O37    59     1.43271   109.43193   -58.81569
   80    76 S   OH   _O36    67     1.41889   109.92431  -173.85439
   81    80 S   HO   _H20    68     0.97244   107.07457  -167.83547
   82    79 S   SY   _S1_    60     1.63971   121.19254   114.46085
   83    82 S   OY   _O40    61     1.46189   103.13639  -171.21814
   84    82 S   OY   _O38    62     1.46136   104.28976    69.32466
   85    82 S   OY   _O39    63     1.46090   105.08253   -51.38231
  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  14   7  12   7   4   1  10   6   3   1   7
   3   1   1   6   2  10  17   8  15   8  11   5  10   3  11   2
   1   5   4  10   7   3   2   1   1  10   3   5   3   2   4   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    52    53    54    55    46    42    43  
   38    39    40    48    52    53    54    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    54    49    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    52    49    50    51    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    52  
    0  
   45    48    52    53    54    49    50    51    46    47  
   48    52    49    50    51    46  
   47    48    49  
    0  
   52    53    54    55    49    50    51  
   50    51    52  
   51  
    0  
   53    54    55    56    57    74  
   54    55  
   55    56    57    58    59    68    74    75    79    61  
   56    57    58    59    60    63    68    69    74    75    79    82    76    64    61    62    66  
   57    58    59    68    74    75    79    61  
   58    59    60    63    68    74    75    79    64    65    61    62    66    67    70  
   59    60    63    74    64    61    62    66  
   60    63    68    69    74    76    64    65    61    62    66  
   63    68    64    65    61  
   62    66    67    70    71    72    73    63    64    74  
   66    67    70  
   68    69    74    75    79    76    77    78    80    64    65  
   65    68  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    79    82    76    77    78    80    81  
   74    75    79    76    77    78    80  
   71    72    73  
   72    73  
   73  
    0  
   75    79    82    83    84    85    76    77    78    80  
   79    82    76  
   77    78    80    81    79  
   78    80    81  
   80    81  
   82    83    84    85  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   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   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   83   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   84   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   85   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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    52   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   320.000  1.410
   44    49   317.000  1.522
   48    52   320.000  1.380
   52    53   340.000  1.090
   52    54   320.000  1.380
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    74   268.000  1.529
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    61   337.000  1.449
   59    60   340.000  1.090
   59    63   320.000  1.380
   59    64   380.000  1.407
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   268.000  1.529
   74    75   340.000  1.090
   74    79   320.000  1.410
   79    82   335.000  1.682
   82    83   735.000  1.471
   82    84   735.000  1.471
   82    85   735.000  1.471
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    80   320.000  1.410
   80    81   553.000  0.945
   64    65   553.000  0.945
   61    62   434.000  1.010
   61    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   49    50   656.000  1.250
   49    51   656.000  1.250
   46    47   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    48    90.00000  108.56700
   33    52    53    45.00000  112.01100
   33    52    54    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    50.00000  109.50000
   40    44    49    70.00000  109.69300
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    52    60.00000  109.50000
   44    49    50    70.00000  117.00000
   44    49    51    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    52    53    35.00000  109.50000
   48    52    54    92.60000  111.55000
   52    33    34    45.00000  108.72000
   52    33    38    75.00000  109.43000
   52    54    55    60.00000  109.50000
   54    52    53    35.00000  109.50000
   54    55    56    35.00000  109.50000
   54    55    57    50.00000  109.50000
   54    55    74    50.00000  109.50000
   55    57    58    37.50000  110.70000
   55    57    59    75.00000  109.43000
   55    57    61    70.00000  110.72300
   55    74    68    58.35000  112.70000
   55    74    75    37.50000  110.70000
   55    74    79    50.00000  109.50000
   57    55    56    37.50000  110.70000
   57    59    60    45.00000  112.01100
   57    59    63    90.00000  108.56700
   57    59    64    90.00000  110.19100
   57    61    62    38.00000  118.40000
   57    61    66    50.00000  121.90000
   59    57    58    45.00000  108.72000
   59    63    68    60.00000  109.50000
   59    64    65    70.00000  107.92000
   63    59    60    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    74    50.00000  109.50000
   63    68    76    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    79    50.00000  109.50000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    80    50.00000  109.50000
   74    55    56    37.50000  110.70000
   74    55    57    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    82   100.00000  113.05000
   79    74    75    35.00000  109.50000
   79    82    83   135.00000  106.70400
   79    82    84   135.00000  106.70400
   79    82    85   135.00000  106.70400
   84    82    83   115.00000  120.17200
   85    82    83   115.00000  120.17200
   85    82    84   115.00000  120.17200
   76    68    69    37.50000  110.70000
   76    68    74    58.35000  112.70000
   76    80    81    55.00000  108.50000
   78    76    77    33.00000  107.80000
   80    76    77    35.00000  109.50000
   80    76    78    35.00000  109.50000
   64    59    60    60.00000  108.02500
   64    59    63   110.00000  112.08000
   61    57    58    35.00000  109.50000
   61    57    59    70.00000  110.72300
   61    66    67    80.00000  122.90000
   61    66    70    70.00000  116.60000
   66    61    62    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    48    85.00000  109.63000
   51    49    50    80.00000  126.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    54    55   0.06250  1.0 1.0
   33    52    54    55  -0.01100 -1.0 2.0
   33    52    54    55   0.28050  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    42   0.23400  1.0 3.0
   34    33    52    48   0.23400  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    54   0.23400  1.0 3.0
   38    33    52    48   0.62750  1.0 1.0
   38    33    52    48  -0.30950 -1.0 2.0
   38    33    52    48   0.27300  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    54   0.62750  1.0 1.0
   38    33    52    54  -0.30950 -1.0 2.0
   38    33    52    54   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49  -1.63150  1.0 1.0
   38    40    44    49  -0.43550 -1.0 2.0
   38    40    44    49   0.24500  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    52   0.06250  1.0 1.0
   40    44    48    52  -0.01100 -1.0 2.0
   40    44    48    52   0.28050  1.0 3.0
   40    44    49    50   0.41150 -1.0 2.0
   40    44    49    51   0.41150 -1.0 2.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49  -0.11250  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.06250  1.0 1.0
   44    48   -52    33  -0.01100 -1.0 2.0
   44    48   -52    33   0.28050  1.0 3.0
   44    48    52    53   0.37050  1.0 3.0
   44    48    52    54  -0.81800  1.0 1.0
   45    44    48    52   0.37050  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   48    44    49    50   0.30150 -1.0 2.0
   48    44    49    51   0.30150 -1.0 2.0
   48    52    54    55  -0.53350  1.0 1.0
   48    52    54    55  -0.78350 -1.0 2.0
   48    52    54    55   0.33750  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   3.97050  1.0 1.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    54    55    56   0.37050  1.0 3.0
   52    54    55    57   0.06250  1.0 1.0
   52    54    55    57  -0.01100 -1.0 2.0
   52    54    55    57   0.28050  1.0 3.0
   52    54    55    74   0.06250  1.0 1.0
   52    54    55    74  -0.01100 -1.0 2.0
   52    54    55    74   0.28050  1.0 3.0
   53    52    54    55   0.37050  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.62750  1.0 1.0
   54    55    57    59  -0.30950 -1.0 2.0
   54    55    57    59   0.27300  1.0 3.0
   54    55    57    61   1.12100  1.0 1.0
   54    55    57    61  -0.16500 -1.0 2.0
   54    55    74    68   0.62750  1.0 1.0
   54    55    74    68  -0.30950 -1.0 2.0
   54    55    74    68   0.27300  1.0 3.0
   54    55    74    75   0.23400  1.0 3.0
   54    55    74    79   1.11900  1.0 1.0
   54    55    74    79  -1.16350 -1.0 2.0
   54    55    74    79  -0.34150  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    63   0.62750  1.0 1.0
   55    57    59    63  -0.30950 -1.0 2.0
   55    57    59    63   0.27300  1.0 3.0
   55    57    59    64   0.86500  1.0 1.0
   55    57    59    64  -0.17500 -1.0 2.0
   55    57    59    64   0.20800  1.0 3.0
   55    57    61    62   0.00000  1.0 1.0
   55    57    61    66  -0.43950  1.0 1.0
   55    57    61    66  -0.08100 -1.0 2.0
   55    57    61    66   0.03350  1.0 3.0
   55    74    79    82   0.37500  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    74    68   0.15000  1.0 3.0
   56    55    74    75   0.15000  1.0 3.0
   56    55    74    79   0.23400  1.0 3.0
   57    55    74    68   0.56750  1.0 1.0
   57    55    74    68  -0.07550 -1.0 2.0
   57    55    74    68   0.20000  1.0 3.0
   57    55    74    75   0.15000  1.0 3.0
   57    55    74    79   0.62750  1.0 1.0
   57    55    74    79  -0.30950 -1.0 2.0
   57    55    74    79   0.27300  1.0 3.0
   57    59   -63    68   0.06250  1.0 1.0
   57    59   -63    68  -0.01100 -1.0 2.0
   57    59   -63    68   0.28050  1.0 3.0
   57    59    64    65  -0.11600  1.0 1.0
   57    59    64    65  -0.09450 -1.0 2.0
   57    59    64    65   0.21250  1.0 3.0
   57    61    66    67   3.04450 -1.0 2.0
   57    61    66    70   1.49850  1.0 1.0
   57    61    66    70   1.53950 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    59    64   0.23400  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    66   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    66  -0.43950  1.0 1.0
   59    57    61    66  -0.08100 -1.0 2.0
   59    57    61    66   0.03350  1.0 3.0
   59    63    68    69   0.37050  1.0 3.0
   59    63    68    74   0.06250  1.0 1.0
   59    63    68    74  -0.01100 -1.0 2.0
   59    63    68    74   0.28050  1.0 3.0
   59    63    68    76   0.06250  1.0 1.0
   59    63    68    76  -0.01100 -1.0 2.0
   59    63    68    76   0.28050  1.0 3.0
   60    59    63    68   0.37050  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   63    59    64    65  -0.50000  1.0 1.0
   63    59    64    65  -0.73950 -1.0 2.0
   63    59    64    65   0.17150  1.0 3.0
   63    68   -74    55   0.62750  1.0 1.0
   63    68   -74    55  -0.30950 -1.0 2.0
   63    68   -74    55   0.27300  1.0 3.0
   63    68    74    75   0.23400  1.0 3.0
   63    68    74    79   1.11900  1.0 1.0
   63    68    74    79  -1.16350 -1.0 2.0
   63    68    74    79  -0.34150  1.0 3.0
   63    68    76    77   0.23400  1.0 3.0
   63    68    76    78   0.23400  1.0 3.0
   63    68    76    80   3.69350  1.0 1.0
   63    68    76    80  -1.82950 -1.0 2.0
   68    74    79    82   0.37500  1.0 3.0
   68    76    80    81  -0.11600  1.0 1.0
   68    76    80    81  -0.09450 -1.0 2.0
   68    76    80    81   0.21250  1.0 3.0
   69    68    74    55   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    79   0.23400  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    80   0.23400  1.0 3.0
   74    55    57    58   0.15000  1.0 3.0
   74    55   -57    59   3.97050  1.0 1.0
   74    55    57    61  -0.27100  1.0 1.0
   74    55    57    61  -0.01700 -1.0 2.0
   74    55    57    61  -0.48600  1.0 3.0
   74    68    76    77   0.15000  1.0 3.0
   74    68    76    78   0.15000  1.0 3.0
   74    68    76    80   0.86500  1.0 1.0
   74    68    76    80  -0.17500 -1.0 2.0
   74    68    76    80   0.20800  1.0 3.0
   74    79    82    83   0.29800  1.0 3.0
   74    79    82    84   0.29800  1.0 3.0
   74    79    82    85   0.29800  1.0 3.0
   75    74    79    82   0.00000  1.0 1.0
   76    68    74    55   0.56750  1.0 1.0
   76    68    74    55  -0.07550 -1.0 2.0
   76    68    74    55   0.20000  1.0 3.0
   76    68    74    75   0.15000  1.0 3.0
   76    68    74    79   0.62750  1.0 1.0
   76    68    74    79  -0.30950 -1.0 2.0
   76    68    74    79   0.27300  1.0 3.0
   77    76    80    81   0.19450  1.0 3.0
   78    76    80    81   0.19450  1.0 3.0
   64    59    63    68  -0.81800  1.0 1.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    63   1.12100  1.0 1.0
   61    57    59    63  -0.16500 -1.0 2.0
   61    57    59    64   2.76900  1.0 1.0
   61    57    59    64  -0.24350 -1.0 2.0
   61    57    59    64  -0.78250  1.0 3.0
   61    66    70    71   0.00000  1.0 1.0
   61    66    70    72   0.00000  1.0 1.0
   61    66    70    73   0.00000  1.0 1.0
   62    61    66    67   2.45000 -1.0 2.0
   62    61    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   49    44    48    52  -1.11000  1.0 1.0
   49    44    48    52   0.50250 -1.0 2.0
   49    44    48    52   0.47450  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49  -5.33000  1.0 1.0
   46    40    44    49  -0.54250 -1.0 2.0
   46    40    44    49  -0.07300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
   62    66    61    57   1.00000 -1.0 2.0
   61    70    66    67  10.50000 -1.0 2.0
   50    44    49    51  10.50000 -1.0 2.0
END
