* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    154    218     447
    1     0 S   NP   _N1_     1    28.49558    97.03063   -20.34726
    2     1 S   H    _HN1     2     1.02952    72.64812   -15.75850
    3     1 S   H    _H1_     3     1.02829    46.81425   119.61945
    4     1 S   H    _H2_     4     1.02763    89.83797  -125.18360
    5     1 S   CT   _CA1     5     1.50152   154.06285    85.14999
    6     5 S   HC   _HA1     6     1.09549   105.26696    85.45006
    7     5 S   CO3  _C1_     7     1.54118   112.53715   -34.94930
    8     7 S   O2Z  _O11     8     1.26416   114.90013   -33.91554
    9     7 S   O2Z  _O12     9     1.26279   115.20960   145.44625
   10     5 S   CT   _CB1    10     1.53201   107.46745  -156.04618
   11    10 S   HC   HB11    11     1.09800   110.19328   -44.35859
   12    10 S   HC   HB12    12     1.09814   110.05520    72.56214
   13    10 S   CT   _CG1    13     1.52828   112.15039  -165.18159
   14    13 S   HC   HG11    14     1.09484   110.17342   -54.06459
   15    13 S   HC   HG12    15     1.09622   110.10493    64.96812
   16    13 S   C    _CD1    16     1.51646   112.92165  -173.68515
   17    16 S   O    _OE1    17     1.22705   123.60792    -6.21792
   18    16 S   N    _N2_    18     1.38442   111.13768   172.74926
   19    18 S   H    _HN2    19     1.02077   118.69030     4.99277
   20    18 S   CT1  _CA2    20     1.45826   123.52592  -171.88611
   21    20 S   HC   _HA2    21     1.09732   109.62085    21.39408
   22    20 S   C    _C2_    22     1.52711   106.28285   -96.24513
   23    22 S   O    _O2_    23     1.22916   122.66454   -92.60298
   24    20 S   CT   _CB2    32     1.53300   110.50157   143.14320
   25    24 S   HC   HB21    33     1.09328   110.05891    57.33052
   26    24 S   HC   HB22    34     1.09337   110.20647   176.16386
   27    22 S   N    _N3_    24     1.38589   112.60979    84.45399
   28    27 S   H    _HN3    25     1.01597   119.33764     2.05900
   29    24 S   S    _SG2    35     1.82704   110.19203   -64.13692
   30    27 S   CT   _CA3    26     1.45467   123.33237   179.40719
   31    30 S   HC   HA31    27     1.09514   109.32995    22.69553
   32    30 S   HC   HA32    28     1.09497   107.09883   139.70496
   33    29 S   CT   _C13    36     1.84288   100.68130   161.29921
   34    33 S   HC   _H8_    37     1.09632   106.35272    46.70920
   35    30 S   CO3  _C3_    29     1.52909   113.15637  -100.80177
   36    35 S   O2Z  _O31    30     1.26401   115.48202   -44.05618
   37    35 S   O2Z  _O32    31     1.26363   115.00262   136.67694
   38    33 S   CT   _C14    38     1.54844   108.71047   162.43150
   39    38 S   HC   _H9_    39     1.09537   109.14363   -57.64642
   40    38 S   CT   _C9_    40     1.53842   111.17663  -179.20525
   41    40 S   HC   _H4_    41     1.09664   110.59690  -173.89812
   42    38 S   OH   _O39    85     1.42957   111.04038    59.97651
   43    42 S   HO   _H17    86     0.97252   107.42184  -174.73337
   44    40 S   CT   _C10    42     1.54049   109.81149   -55.27289
   45    44 S   HC   _H5_    43     1.09703   108.61451   -64.52549
   46    40 S   OS   _O38    58     1.42731   111.77793    66.12726
   47    44 S   CT   _C11    44     1.53874   113.10643    56.11791
   48    47 S   HC   _H6_    45     1.09533   108.14967  -177.09768
   49    44 S   OH   _O45    56     1.42809   109.40270   179.86730
   50    49 S   HO   _H20    57     0.97203   107.55682  -174.67476
   51    46 S   P2   _P1_    59     1.63222   121.40689    68.14581
   52    51 S   O2Z  _O37    60     1.51268   108.18952   158.44548
   53    51 S   O2Z  _O36    61     1.51273   109.92208    24.37909
   54    33 S   CT   _C12    46     1.54854   112.60486   -71.80460
   55    54 S   HC   _H7_    47     1.09567   108.84743    64.70641
   56    47 S   OH   _O44    54     1.42760   110.23026    66.79640
   57    56 S   HO   _H19    55     0.97242   107.53451   174.91119
   58    51 S   OS   _O35    62     1.63116    98.40036   -89.28363
   59    54 S   OS   _O40    48     1.42811   111.11113   -55.33130
   60    58 S   CT   _C8_    63     1.42187   118.62844  -178.28331
   61    60 S   HC   _H15    64     1.09424   108.38063   -57.46875
   62    60 S   HC   _H16    65     1.09464   108.94076    60.94976
   63    59 S   P2   _P2_    49     1.63366   118.03244   141.11301
   64    63 S   O2Z  _O43    50     1.51144   109.64938    66.03174
   65    63 S   O2Z  _O41    51     1.51246   108.94860   -68.02568
   66    60 S   CT   _C7_    66     1.52969   109.20023  -178.39904
   67    66 S   HC   _H3_    67     1.09698   110.60157  -176.47680
   68    63 S   OS   _O42    52     1.62858    99.02824   179.28976
   69    68 S   HO   _H18    53     0.98234   117.72092    89.47650
   70    66 S   CT   _C6_    68     1.53046   111.67917   -54.69541
   71    70 S   HC   _H13    69     1.09560   110.81647    65.92018
   72    70 S   HC   _H14    70     1.09572   110.39909   -56.05919
   73    66 S   OS   _O46    78     1.44845   109.06610    63.53969
   74    70 S   OS   _O34    71     1.43991   108.39252  -175.05977
   75    73 S   CO4  _C15    79     1.36184   117.33568    83.65703
   76    75 S   O    _O47    80     1.22337   126.37703     0.33338
   77    74 S   CO4  _C5_    72     1.36315   115.39209  -174.51077
   78    77 S   O    _O33    73     1.22337   126.18115    -2.43446
   79    75 S   CT   _C16    81     1.49821   109.61879  -178.85739
   80    79 S   HC   _H21    82     1.09321   109.98282   -52.93951
   81    79 S   HC   _H22    83     1.09377   109.32807  -171.54938
   82    79 S   HC   _H23    84     1.09254   109.72361    69.05966
   83    77 S   CT   _C4_    74     1.49760   109.61598   177.43906
   84    83 S   HC   _H10    75     1.09282   109.69107   -58.39426
   85    83 S   HC   _H11    76     1.09360   109.32112  -177.27523
   86    83 S   HC   _H12    77     1.09265   109.86882    63.46413
  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
  16   8   2   1   1  14   7  16   7   4   1  12   7   7   9   6
   3   1   7   3   2   8   3   2   1   7   5  10   5   4   4   3
   2  10   6   1   1   8   4   3   7   6   5   4   5   4   3   2
   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    54    55    59    63    56    46    42    43  
   38    39    40    47    54    55    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    54    55    59    49    46    51    42    43  
   40    41    44    54    46    42    43  
   41    44    45    47    48    54    56    49    50    46    51    52    53    58    42    43  
   44    45    47    49    46    51    42  
   43    44    46    54  
    0  
   45    47    48    54    55    59    56    57    49    50    46    51  
   47    48    54    56    49    50    46  
   51    52    53    58    60    47    49  
   48    54    55    59    63    56    57    49    50  
   54    55    59    56    57    49  
   50    54    56  
    0  
   52    53    58    60    61    62    66  
   53    58    60  
   58    60  
   55    59    63    64    65    68    56    57  
   59    63    56  
   57    59  
    0  
   60    61    62    66    67    70    73  
   63    64    65    68    69  
   61    62    66    67    70    71    72    74    73    75  
   62    66    67    70    73  
   66    67    70    73  
   64    65    68    69  
   65    68    69  
   68    69  
   67    70    71    72    74    77    73    75    76    79  
   70    71    72    74    73    75  
   69  
    0  
   71    72    74    77    78    83    73    75  
   72    74    77    73  
   74    77    73  
   75    76    79    80    81    82    74  
   77    78    83    84    85    86  
   76    79    80    81    82  
   79    80    81    82  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.140000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   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    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    56   320.000  1.410
   54    55   340.000  1.090
   54    59   320.000  1.410
   59    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    68   230.000  1.697
   68    69   553.000  0.945
   56    57   553.000  0.945
   49    50   553.000  0.945
   46    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    58   230.000  1.697
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   320.000  1.410
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   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    54    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    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    59    50.00000  109.50000
   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    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    54    58.35000  112.70000
   44    47    56    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    59    50.00000  109.50000
   47    56    57    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    59    63   100.00000  120.50000
   59    54    55    35.00000  109.50000
   59    63    64   100.00000  108.23000
   59    63    65   100.00000  108.23000
   59    63    68    45.00000  102.60000
   63    68    69    45.00000  108.50000
   65    63    64   140.00000  119.90000
   68    63    64   100.00000  108.23000
   68    63    65   100.00000  108.23000
   56    47    48    35.00000  109.50000
   56    47    54    50.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  108.23000
   46    51    53   100.00000  108.23000
   46    51    58    45.00000  102.60000
   51    58    60   100.00000  120.50000
   53    51    52   140.00000  119.90000
   58    51    52   100.00000  108.23000
   58    51    53   100.00000  108.23000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    66    50.00000  109.50000
   60    66    67    37.50000  110.70000
   60    66    70    58.35000  112.70000
   60    66    73    50.00000  109.50000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    74    50.00000  109.50000
   66    73    75    83.00000  116.90000
   70    66    67    37.50000  110.70000
   70    74    77    83.00000  116.90000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   74    77    78    83.00000  123.40000
   74    77    83    81.00000  111.40000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   79    75    76    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59   0.56750  1.0 1.0
   29    33    54    59  -0.07550 -1.0 2.0
   29    33    54    59   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   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  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    54    59    63  -2.65550  1.0 1.0
   33    54    59    63  -0.22350 -1.0 2.0
   33    54    59    63   0.24150  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    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    59   0.23400  1.0 3.0
   38    33    54    47   0.56750  1.0 1.0
   38    33    54    47  -0.07550 -1.0 2.0
   38    33    54    47   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    59   0.62750  1.0 1.0
   38    33    54    59  -0.30950 -1.0 2.0
   38    33    54    59   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  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    47    48   0.15000  1.0 3.0
   40    44    47    54   0.56750  1.0 1.0
   40    44    47    54  -0.07550 -1.0 2.0
   40    44    47    54   0.20000  1.0 3.0
   40    44    47    56   0.86500  1.0 1.0
   40    44    47    56  -0.17500 -1.0 2.0
   40    44    47    56   0.20800  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    58   0.05050  1.0 1.0
   40    46    51    58  -1.30700 -1.0 2.0
   40    46    51    58   0.91550  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -54    33   0.56750  1.0 1.0
   44    47   -54    33  -0.07550 -1.0 2.0
   44    47   -54    33   0.20000  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    59   0.62750  1.0 1.0
   44    47    54    59  -0.30950 -1.0 2.0
   44    47    54    59   0.27300  1.0 3.0
   44    47    56    57  -0.11600  1.0 1.0
   44    47    56    57  -0.09450 -1.0 2.0
   44    47    56    57   0.21250  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   45    44    47    56   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    54    59    63  -2.65550  1.0 1.0
   47    54    59    63  -0.22350 -1.0 2.0
   47    54    59    63   0.24150  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    59   0.23400  1.0 3.0
   48    47    56    57   0.19450  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    47    56    57  -0.11600  1.0 1.0
   54    47    56    57  -0.09450 -1.0 2.0
   54    47    56    57   0.21250  1.0 3.0
   54    59    63    64   0.00000  1.0 1.0
   54    59    63    65   0.00000  1.0 1.0
   54    59    63    68   0.05050  1.0 1.0
   54    59    63    68  -1.30700 -1.0 2.0
   54    59    63    68   0.91550  1.0 3.0
   55    54    59    63   0.03000  1.0 3.0
   59    63    68    69   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   56    47    54    33   0.86500  1.0 1.0
   56    47    54    33  -0.17500 -1.0 2.0
   56    47    54    33   0.20800  1.0 3.0
   56    47    54    55   0.23400  1.0 3.0
   56    47    54    59   3.69350  1.0 1.0
   56    47    54    59  -1.82950 -1.0 2.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    54   0.86500  1.0 1.0
   49    44    47    54  -0.17500 -1.0 2.0
   49    44    47    54   0.20800  1.0 3.0
   49    44    47    56   3.75450  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   46    51    58    60   0.05050  1.0 1.0
   46    51    58    60  -1.30700 -1.0 2.0
   46    51    58    60   0.91550  1.0 3.0
   51    58    60    61   0.03000  1.0 3.0
   51    58    60    62   0.03000  1.0 3.0
   51    58    60    66  -2.65550  1.0 1.0
   51    58    60    66  -0.22350 -1.0 2.0
   51    58    60    66   0.24150  1.0 3.0
   52    51    58    60   0.00000  1.0 1.0
   53    51    58    60   0.00000  1.0 1.0
   58    60    66    67   0.23400  1.0 3.0
   58    60    66    70   0.62750  1.0 1.0
   58    60    66    70  -0.30950 -1.0 2.0
   58    60    66    70   0.27300  1.0 3.0
   58    60    66    73   1.11900  1.0 1.0
   58    60    66    73  -1.16350 -1.0 2.0
   58    60    66    73  -0.34150  1.0 3.0
   60    66    70    71   0.15000  1.0 3.0
   60    66    70    72   0.15000  1.0 3.0
   60    66    70    74   0.62750  1.0 1.0
   60    66    70    74  -0.30950 -1.0 2.0
   60    66    70    74   0.27300  1.0 3.0
   60    66    73    75  -0.25900  1.0 1.0
   60    66    73    75  -0.47000 -1.0 2.0
   60    66    73    75   0.11750  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    70   0.15000  1.0 3.0
   61    60    66    73   0.23400  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    70   0.15000  1.0 3.0
   62    60    66    73   0.23400  1.0 3.0
   66    70    74    77  -0.25900  1.0 1.0
   66    70    74    77  -0.47000 -1.0 2.0
   66    70    74    77   0.11750  1.0 3.0
   66    73    75    76   3.00000 -1.0 2.0
   66    73    75    79   1.63150  1.0 1.0
   66    73    75    79   2.92000 -1.0 2.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    73    75   0.08050  1.0 3.0
   70    66    73    75  -0.25900  1.0 1.0
   70    66    73    75  -0.47000 -1.0 2.0
   70    66    73    75   0.11750  1.0 3.0
   70    74    77    78   3.00000 -1.0 2.0
   70    74    77    83   1.63150  1.0 1.0
   70    74    77    83   2.92000 -1.0 2.0
   71    70    74    77   0.08050  1.0 3.0
   72    70    74    77   0.08050  1.0 3.0
   74    77    83    84   0.00000  1.0 1.0
   74    77    83    85   0.00000  1.0 1.0
   74    77    83    86   0.00000  1.0 1.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   78    77    83    86   0.00000  1.0 1.0
   73    66    70    71   0.23400  1.0 3.0
   73    66    70    72   0.23400  1.0 3.0
   73    66    70    74   1.11900  1.0 1.0
   73    66    70    74  -1.16350 -1.0 2.0
   73    66    70    74  -0.34150  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    82   0.00000  1.0 1.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   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   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -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
   74    83    77    78  10.50000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
END
