* LIGAND DATABASE FILE (OPLS2005)
*
001      79    78    142    202     411
    1     0 S   NP   _N1_     1    28.75490    94.58788   -20.42290
    2     1 S   H    _HN1     2     1.02781    84.93600   -68.87302
    3     1 S   H    _H1_     3     1.02955    94.78435    39.13991
    4     1 S   H    _H2_     4     1.02833    31.73784   154.32784
    5     1 S   CT   _CA1     5     1.50109   141.62361   171.19362
    6     5 S   HC   _HA1     6     1.09576   105.25525    49.83978
    7     5 S   CO3  _C1_     7     1.53831   112.26632   -70.39554
    8     7 S   O2Z  _O11     8     1.26358   115.00842   -46.67242
    9     7 S   O2Z  _O12     9     1.26231   114.91074   132.41433
   10     5 S   CT   _CB1    10     1.53089   107.41522   167.71898
   11    10 S   HC   HB11    11     1.09813   109.40558   -50.48815
   12    10 S   HC   HB12    12     1.09822   110.46942    66.12841
   13    10 S   CT   _CG1    13     1.52933   112.52193  -171.61920
   14    13 S   HC   HG11    14     1.09501   110.35610   -60.10011
   15    13 S   HC   HG12    15     1.09647   110.13689    58.72598
   16    13 S   C    _CD1    16     1.51857   112.15794   178.56605
   17    16 S   O    _OE1    17     1.22729   123.13115   -17.09432
   18    16 S   N    _N2_    18     1.38463   111.65180   164.54248
   19    18 S   H    _HN2    19     1.01551   118.85793    -0.20748
   20    18 S   CT1  _CA2    20     1.46185   123.84057   177.41889
   21    20 S   HC   _HA2    21     1.09745   109.24577   -14.26501
   22    20 S   C    _C2_    22     1.53600   107.83153  -129.29585
   23    22 S   O    _O2_    23     1.23013   122.64573  -148.86018
   24    20 S   CT   _CB2    32     1.53528   111.80053   108.30356
   25    24 S   HC   HB21    33     1.09538   109.98788    50.00845
   26    24 S   HC   HB22    34     1.09277   109.55484   169.02510
   27    22 S   N    _N3_    24     1.38468   113.42541    38.80019
   28    27 S   H    _HN3    25     1.01641   119.45253    -3.53385
   29    24 S   S    _SG2    35     1.82947   111.59576   -71.66080
   30    27 S   CT   _CA3    26     1.45269   123.06564   177.11283
   31    30 S   HC   HA31    27     1.09553   107.54034   -63.55336
   32    30 S   HC   HA32    28     1.09561   107.92395    52.84316
   33    29 S   CT   _C18    36     1.87238   100.75753   164.92148
   34    33 S   HC   _H3_    37     1.09849   106.47234   -34.50763
   35    30 S   CO3  _C3_    29     1.52910   114.17578   174.81696
   36    35 S   O2Z  _O31    30     1.26356   116.07405    -0.56128
   37    35 S   O2Z  _O32    31     1.26433   114.40420   179.47923
   38    33 S   CT   _C17    38     1.55783   107.06863  -148.66353
   39    38 S   HC   _H43    39     1.09418   109.51183   179.06017
   40    38 S   HC   _H44    40     1.09739   109.72039   -65.35648
   41    33 S   CT   _C19    67     1.59427   114.72997    85.66913
   42    41 S   OM   _O18    68     1.32387   108.79384   -63.97617
   43    38 S   CT   _C15    41     1.54137   117.33881    57.88782
   44    43 S   HC   _H39    42     1.09670   109.66802   -70.15476
   45    43 S   HC   _H40    43     1.09860   108.00883   176.48208
   46    41 S   CT   _C12    69     1.54428   112.43934    55.73765
   47    46 S   HC   _H32    70     1.09644   112.84205   -56.05076
   48    46 S   HC   _H33    71     1.09765   112.43999  -175.68916
   49    46 S   HC   _H34    72     1.09559   111.04965    64.65134
   50    41 S   CT   _C16    73     1.56743   110.39531   178.79764
   51    50 S   HC   _H41    74     1.09969   109.86139    50.99489
   52    50 S   HC   _H42    75     1.09622   109.37297   -65.34135
   53    43 S   CM   _C7_    44     1.51633   115.32698    55.86758
   54    50 S   CT   _C11    76     1.53283   117.18578   174.61344
   55    54 S   HC   _H29    77     1.09355   111.65347    60.94578
   56    54 S   HC   _H30    78     1.09547   109.51715   179.65736
   57    54 S   HC   _H31    79     1.09400   112.05617   -61.34808
   58    53 S   CM   _C5_    45     1.34671   119.73600  -117.24780
   59    58 S   HC   _H22    46     1.08841   117.91549     1.40388
   60    53 S   CT   _C10    63     1.50368   115.78992    63.84272
   61    60 S   HC   _H26    64     1.09452   110.46469   -63.82807
   62    60 S   HC   _H27    65     1.09190   113.42612   176.17362
   63    60 S   HC   _H28    66     1.09495   110.10907    55.91645
   64    58 S   CT   _C13    47     1.50237   128.07695  -177.87551
   65    64 S   HC   _H35    48     1.09695   107.33362   142.35819
   66    64 S   HC   _H36    49     1.09465   111.68069    27.40551
   67    64 S   CT   _C14    50     1.53108   111.27326   -96.63542
   68    67 S   HC   _H37    51     1.09697   110.15080   -50.25590
   69    67 S   HC   _H38    52     1.09663   109.66776    64.49638
   70    67 S   CM   _C6_    53     1.51338   112.54490  -171.24642
   71    70 S   CM   _C4_    54     1.34527   124.88699  -102.91761
   72    71 S   HC   _H21    55     1.09036   118.99479  -176.33852
   73    70 S   CT   _C9_    59     1.50788   115.02703    79.67961
   74    73 S   HC   _H23    60     1.09421   110.64453   -63.23254
   75    73 S   HC   _H24    61     1.09525   112.30379   176.69642
   76    73 S   HC   _H25    62     1.09513   110.30127    56.83573
   77    71 S   CO3  _C8_    56     1.53097   125.00228     2.34402
   78    77 S   O2Z  _O17    57     1.26516   114.16652  -132.37514
   79    77 S   O2Z  _O19    58     1.26245   116.24686    49.79286
  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
  18   8   2   1   1  12   6   5  13   8  10   4   3   7   3   2
   1   6   5   4  10   3   2   1   1  12   5   4   2   1   1   8
   5   4  10   4   3   9   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    53    41    42    46    47    48    49    50    51    52    54  
   38    39    40    43    41    42    46    50  
   36    37  
   37  
    0  
   39    40    43    44    45    53    58    60    41    42    46    50  
   40    43    44    45    53    41  
   43    44    45    53    41  
   42    46    47    48    49    50    51    52    54    55    56    57    43  
   46    47    48    49    50    51    52    54  
   44    45    53    58    59    64    60    61    62    63  
   45    53    58    60  
   53    58    60  
   47    48    49    50    51    52    54  
   48    49    50  
   49    50  
   50  
   51    52    54    55    56    57  
   52    54    55    56    57  
   54    55    56    57  
   58    59    64    65    66    67    60    61    62    63  
   55    56    57  
   56    57  
   57  
    0  
   59    64    65    66    67    68    69    70    60    61    62    63  
   64    65    66    67    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    77    73    74    75    76  
   69    70    71    73  
   70    71    73  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    73    74    75    76  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    53   317.000  1.510
   53    58   549.000  1.340
   53    60   317.000  1.510
   58    59   340.000  1.080
   58    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   549.000  1.340
   70    73   317.000  1.510
   71    72   340.000  1.080
   71    77   230.000  1.545
   77    78   656.000  1.250
   77    79   656.000  1.250
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   41    42   570.000  1.307
   41    46   268.000  1.529
   41    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   33    41    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    53    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    53    58    70.00000  124.00000
   43    53    60    65.00000  117.92700
   45    43    44    33.00000  107.80000
   53    43    44    35.00000  109.50000
   53    43    45    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    64    70.00000  124.00000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    70.00000  112.02700
   64    58    59    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    70.00000  124.00000
   67    70    73    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    77    55.00000  124.75400
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   71    77    78    85.00000  113.83300
   71    77    79    85.00000  113.83300
   77    71    72    40.00000  118.53000
   79    77    78    80.00000  126.00000
   73    70    71    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    53    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    54    58.35000  112.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    41    42    50.00000  109.50000
   50    41    46    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    41    50   0.44750  1.0 1.0
   29    33    41    50  -0.17800 -1.0 2.0
   29    33    41    50   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    53   0.34400  1.0 1.0
   33    38    43    53   0.09450 -1.0 2.0
   33    38    43    53   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   33    41    50    51   0.15000  1.0 3.0
   33    41    50    52   0.15000  1.0 3.0
   33    41    50    54   0.56750  1.0 1.0
   33    41    50    54  -0.07550 -1.0 2.0
   33    41    50    54   0.20000  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    43   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   34    33    41    50   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    33    41    50   0.56750  1.0 1.0
   38    33    41    50  -0.07550 -1.0 2.0
   38    33    41    50   0.20000  1.0 3.0
   38    43    53    58   0.09850  1.0 1.0
   38    43    53    58   0.15250 -1.0 2.0
   38    43    53    58  -0.50650  1.0 3.0
   38    43    53    60   0.46850  1.0 1.0
   38    43    53    60   0.08550 -1.0 2.0
   38    43    53    60   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    53   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    53   0.15000  1.0 3.0
   43    53    58    59   7.00000 -1.0 2.0
   43    53    58    64   7.00000 -1.0 2.0
   43    53    60    61   0.34800  1.0 3.0
   43    53    60    62   0.34800  1.0 3.0
   43    53    60    63   0.34800  1.0 3.0
   44    43    53    58   0.00000  1.0 1.0
   44    43    53    60   0.34800  1.0 3.0
   45    43    53    58   0.00000  1.0 1.0
   45    43    53    60   0.34800  1.0 3.0
   53    58    64    65   0.00000  1.0 1.0
   53    58    64    66   0.00000  1.0 1.0
   53    58    64    67   0.09850  1.0 1.0
   53    58    64    67   0.15250 -1.0 2.0
   53    58    64    67  -0.50650  1.0 3.0
   58    53    60    61   0.00000  1.0 1.0
   58    53    60    62   0.00000  1.0 1.0
   58    53    60    63   0.00000  1.0 1.0
   58    64    67    68   0.15000  1.0 3.0
   58    64    67    69   0.15000  1.0 3.0
   58    64    67    70   0.31000  1.0 1.0
   58    64    67    70   0.14700 -1.0 2.0
   58    64    67    70   0.07550  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.33100  1.0 3.0
   59    58    64    67   0.00000  1.0 1.0
   64    67    70    71   0.09850  1.0 1.0
   64    67    70    71   0.15250 -1.0 2.0
   64    67    70    71  -0.50650  1.0 3.0
   64    67    70    73   0.46850  1.0 1.0
   64    67    70    73   0.08550 -1.0 2.0
   64    67    70    73   0.09800  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    71    72   7.00000 -1.0 2.0
   67    70    71    77   7.00000 -1.0 2.0
   67    70    73    74   0.34800  1.0 3.0
   67    70    73    75   0.34800  1.0 3.0
   67    70    73    76   0.34800  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    73   0.34800  1.0 3.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    73   0.34800  1.0 3.0
   70    71    77    78  -0.04000 -1.0 2.0
   70    71    77    78  -0.29050  1.0 3.0
   70    71    77    79  -0.04000 -1.0 2.0
   70    71    77    79  -0.29050  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   71    70    73    76   0.00000  1.0 1.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   73    70    71    72   7.00000 -1.0 2.0
   73    70    71    77   7.00000 -1.0 2.0
   60    53    58    59   7.00000 -1.0 2.0
   60    53    58    64   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    50    54    55   0.15000  1.0 3.0
   41    50    54    56   0.15000  1.0 3.0
   41    50    54    57   0.15000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   42    41    50    51   0.23400  1.0 3.0
   42    41    50    52   0.23400  1.0 3.0
   42    41    50    54   0.62750  1.0 1.0
   42    41    50    54  -0.30950 -1.0 2.0
   42    41    50    54   0.27300  1.0 3.0
   46    41    50    51   0.15000  1.0 3.0
   46    41    50    52   0.15000  1.0 3.0
   46    41    50    54   0.56750  1.0 1.0
   46    41    50    54  -0.07550 -1.0 2.0
   46    41    50    54   0.20000  1.0 3.0
   50    41    46    47   0.15000  1.0 3.0
   50    41    46    48   0.15000  1.0 3.0
   50    41    46    49   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   43    60    53    58  15.00000 -1.0 2.0
   64    59    58    53  15.00000 -1.0 2.0
   67    73    70    71  15.00000 -1.0 2.0
   77    72    71    70  15.00000 -1.0 2.0
   78    71    77    79  10.50000 -1.0 2.0
END
