* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    234     421
    1     0 S   NP   _N1_     1    28.14370    96.11555   -23.68877
    2     1 S   H    _HN1     2     1.02957    79.75245    -8.85315
    3     1 S   H    _H1_     3     1.02835    29.55452   148.44827
    4     1 S   H    _H2_     4     1.02776   106.98216  -115.06970
    5     1 S   CT   _CA1     5     1.50146   132.84523    99.50522
    6     5 S   HC   _HA1     6     1.09574   105.19669    82.60801
    7     5 S   CO3  _C1_     7     1.53779   112.36982   -37.56401
    8     7 S   O2Z  _O11     8     1.26371   114.98536   -43.02843
    9     7 S   O2Z  _O12     9     1.26231   114.93357   136.00006
   10     5 S   CT   _CB1    10     1.53088   107.41605  -159.46706
   11    10 S   HC   HB11    11     1.09829   109.31944   -50.11573
   12    10 S   HC   HB12    12     1.09815   110.42684    66.43663
   13    10 S   CT   _CG1    13     1.53031   112.70041  -171.16540
   14    13 S   HC   HG11    14     1.09590   110.53036   -65.08344
   15    13 S   HC   HG12    15     1.09659   109.88687    54.13597
   16    13 S   C    _CD1    16     1.51848   112.26372   174.50881
   17    16 S   O    _OE1    17     1.22756   123.27111     2.46418
   18    16 S   N    _N2_    18     1.38565   111.76895  -177.61197
   19    18 S   H    _HN2    19     1.01570   119.02788     4.27462
   20    18 S   CT1  _CA2    20     1.45861   122.80102   177.58857
   21    20 S   HC   _HA2    21     1.09711   108.96614    24.69910
   22    20 S   C    _C2_    22     1.52876   106.67421   -92.62375
   23    22 S   O    _O2_    23     1.23003   122.87118   -31.10346
   24    20 S   CT   _CB2    32     1.53252   112.26964   147.98626
   25    24 S   HC   HB21    33     1.09468   109.62240    54.83615
   26    24 S   HC   HB22    34     1.09412   109.73982   173.84750
   27    22 S   N    _N3_    24     1.38447   112.72714   151.63806
   28    27 S   H    _HN3    25     1.01661   120.43453    -1.13574
   29    24 S   S    _SG2    35     1.82639   110.91707   -65.83717
   30    27 S   CT   _CA3    26     1.45373   122.38610   178.76869
   31    30 S   HC   HA31    27     1.09563   107.51942   -62.99934
   32    30 S   HC   HA32    28     1.09572   107.88128    53.31107
   33    29 S   CT   _C19    36     1.89223   101.58442   177.41358
   34    30 S   CO3  _C3_    29     1.52881   114.41796   175.37602
   35    34 S   O2Z  _O31    30     1.26321   116.07524     1.71166
   36    34 S   O2Z  _O32    31     1.26452   114.39430  -178.26528
   37    33 S   CO4  _C18    37     1.51363   106.60184   -61.97235
   38    37 S   O    _O37    38     1.22542   125.04228   -55.04742
   39    33 S   CO4  _C20    71     1.53573   105.68254    63.81307
   40    39 S   O    _O33    72     1.23964   118.77285    58.65008
   41    33 S   C    _C23    73     1.54983   105.25433  -176.66569
   42    41 S   O    _O36    74     1.23187   123.50772    36.87015
   43    37 S   CO4  _C17    39     1.49916   117.97734   127.45558
   44    43 S   O    _O38    40     1.22228   117.83288   148.02682
   45    41 S   N    _N4_    75     1.37478   115.66199  -147.49196
   46    45 S   H    _H12    76     1.01546   123.91487     4.10885
   47    45 S   H    _H13    77     1.01417   119.89800  -178.41107
   48    43 S   CT   _C16    41     1.51274   116.13863   -34.37727
   49    48 S   HC   _H3_    42     1.09976   104.90568   -62.85347
   50    48 S   CT   _C15    43     1.53679   110.98440  -177.46287
   51    50 S   HC   _H10    44     1.09796   109.18116   160.48936
   52    50 S   HC   _H11    45     1.09715   107.88131    44.39254
   53    50 S   CA   _C14    46     1.51529   115.05775   -78.25932
   54    53 S   CA   _C13    47     1.40398   120.82584   -17.65113
   55    54 S   CA   _C12    48     1.41092   119.51548   178.63341
   56    54 S   CO4  _C22    67     1.50535   119.94844    -1.11452
   57    56 S   O    _O34    68     1.23157   119.22516   171.39495
   58    55 S   CA   _C11    49     1.42391   122.48408    -0.72362
   59    55 S   OH   _O39    65     1.37718   120.63356   179.23767
   60    59 S   HO   _H14    66     0.97209   109.84689    -1.23765
   61    48 S   CT   _C21    69     1.52509   109.75704    56.94206
   62    61 S   OM   _O35    70     1.32152   109.65636  -171.43347
   63    58 S   CA   _C6_    50     1.41923   117.79158     1.85013
   64    63 S   CA   _C7_    51     1.41873   118.04950  -179.05788
   65    64 S   HA   _H7_    52     1.08783   121.01599   178.46941
   66    53 S   CA   _C5_    60     1.42194   119.84168   163.96277
   67    64 S   CA   _C8_    53     1.39342   122.73372    -0.86366
   68    67 S   HA   _H8_    54     1.08597   120.09603  -179.96044
   69    66 S   CT   _C4_    61     1.51829   119.89736     2.40330
   70    69 S   HC   _H4_    62     1.09433   109.97242  -100.67378
   71    69 S   HC   _H5_    63     1.09274   113.09877    20.88847
   72    69 S   HC   _H6_    64     1.09497   110.93356   137.69350
   73    67 S   CA   _C9_    55     1.38076   119.56825     0.16551
   74    73 S   HA   _H9_    56     1.08596   119.45981  -179.98022
   75    58 S   CA   _C10    57     1.42829   124.46197  -178.20485
   76    75 S   OH   _O40    58     1.37462   120.14502    -0.13417
   77    76 S   HO   _H15    59     0.97158   109.39781  -179.88131
  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
  15   2   1   1  12   5  13   5   6   3  10   4   2   1   1  11
   7  11   5   4  14  12  12   6   2  13   3   1   1   1  12   8
   4   6   5   3   3   2   1   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    61    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    56    61    62    39    40    41    42    45    46    47  
   35    36  
   36  
    0  
   38    43    44    48    49    50    61    39    40    41    42    45  
   43    44    48    39    41  
   40    41    42    45    43    48    49    50    54    56    57    61    62  
   41    48    56    61    62  
   42    45    46    47    43    61  
   45    46    47  
   44    48    49    50    51    52    53    56    61    62  
   48    49    50    61  
   46    47  
   47  
    0  
   49    50    51    52    53    54    66    56    57    61    62  
   50    51    52    53    56    61    62  
   51    52    53    54    55    63    66    69    56    61    62  
   52    53    54    66    61  
   53    54    66    61  
   54    55    58    63    64    66    69    70    71    72    59    56    57    61  
   55    58    63    75    66    69    59    60    56    57    61    62  
   58    63    64    73    75    76    66    59    60    56    57    61  
   57    61    62    58    59    66  
   61    62  
   63    64    65    67    73    74    75    76    77    66    69    59    60  
   60    63    75  
    0  
   62  
    0  
   64    65    67    68    73    75    76    66    69    70    71    72  
   65    67    68    73    74    75    66    69  
   67    68    73    66  
   69    70    71    72    67    75  
   68    73    74    75    76  
   73    74    75  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77  
   75    76  
   76    77  
   77  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.005000   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   317.000  1.522
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   250.000  1.523
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    61   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   317.000  1.510
   53    54   469.000  1.400
   53    66   469.000  1.400
   54    55   469.000  1.400
   54    56   310.000  1.470
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    63   469.000  1.400
   58    75   469.000  1.400
   63    64   469.000  1.400
   63    66   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   66    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    60   553.000  0.945
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   570.000  1.307
   61    39   317.000  1.522
   39    40   570.000  1.229
   41    42   570.000  1.229
   41    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   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    37    75.00000  110.18000
   29    33    39    75.00000  110.18000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.45000
   33    39    61    70.00000  116.00000
   33    39    40    80.00000  120.40000
   33    41    42    80.00000  120.40000
   33    41    45    70.00000  116.60000
   37    43    44    80.00000  119.30300
   37    43    48    65.00000  115.45000
   43    37    38    80.00000  119.30300
   43    48    49    35.00000  109.50000
   43    48    50    63.00000  111.10000
   43    48    61    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    61    56    63.00000  111.10000
   48    61    62    50.00000  109.50000
   48    61    39    63.00000  111.10000
   50    48    49    37.50000  110.70000
   50    53    54    70.00000  120.00000
   50    53    66    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    56    60.00000  119.52600
   53    66    63    63.00000  120.00000
   53    66    69    70.00000  120.00000
   54    55    58    63.00000  120.00000
   54    55    59    70.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    61    65.00000  115.47100
   55    58    63    63.00000  120.00000
   55    58    75    63.00000  120.00000
   55    59    60    35.00000  113.00000
   58    63    64    63.00000  120.00000
   58    63    66    63.00000  120.00000
   58    75    73    63.00000  120.00000
   58    75    76    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    67    63.00000  120.00000
   63    66    69    70.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    73    63.00000  120.00000
   67    64    65    35.00000  120.00000
   67    73    74    35.00000  120.00000
   67    73    75    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    75    76    70.00000  120.00000
   75    58    63    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   66    53    54    63.00000  120.00000
   66    63    64    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   59    55    58    70.00000  120.00000
   56    54    55    60.00000  119.52600
   56    61    62    90.00000  108.74100
   56    61    39    75.00000  107.99600
   61    48    49    37.50000  110.70000
   61    48    50    58.35000  112.70000
   61    56    57    80.00000  120.40000
   61    39    40    80.00000  120.40000
   39    33    37    75.00000  107.99600
   39    61    62    90.00000  108.74100
   41    33    37    70.00000  107.85200
   41    33    39    70.00000  107.85200
   41    45    46    35.00000  119.80000
   41    45    47    35.00000  119.80000
   45    41    42    80.00000  122.90000
   47    45    46    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    61   0.65300  1.0 1.0
   29    33    39    61  -0.03850 -1.0 2.0
   29    33    39    61   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    45   0.00000  1.0 1.0
   33    37    43    44   0.49600 -1.0 2.0
   33    37    43    48   0.77650  1.0 1.0
   33    37    43    48   2.21050 -1.0 2.0
   33    41    45    46   2.45000 -1.0 2.0
   33    41    45    47   2.45000 -1.0 2.0
   37    33    39    61   0.65300  1.0 1.0
   37    33    39    61  -0.03850 -1.0 2.0
   37    33    39    61   0.33900  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    45   0.00000  1.0 1.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.65300  1.0 1.0
   37    43    48    50  -0.03850 -1.0 2.0
   37    43    48    50   0.33900  1.0 3.0
   37    43   -48    61   0.65300  1.0 1.0
   37    43   -48    61  -0.03850 -1.0 2.0
   37    43   -48    61   0.33900  1.0 3.0
   38    37    43    44   0.06100 -1.0 2.0
   38    37    43    48   0.49600 -1.0 2.0
   43    48    50    51  -0.11250  1.0 3.0
   43    48    50    52  -0.11250  1.0 3.0
   43    48    50    53   0.56750  1.0 1.0
   43    48    50    53  -0.07550 -1.0 2.0
   43    48    50    53   0.20000  1.0 3.0
   43    48    61    56   0.11950  1.0 1.0
   43    48    61    56   0.20300 -1.0 2.0
   43    48    61    56  -0.70800  1.0 3.0
   43    48    61    62  -0.09450  1.0 1.0
   43    48    61    62  -1.12950 -1.0 2.0
   43    48    61    62   0.54000  1.0 3.0
   43    48    61    39   0.11950  1.0 1.0
   43    48    61    39   0.20300 -1.0 2.0
   43    48    61    39  -0.70800  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.30150 -1.0 2.0
   44    43    48    61   0.30150 -1.0 2.0
   48    50    53    54   0.04150 -1.0 2.0
   48    50    53    66   0.04150 -1.0 2.0
   48    61   -39    33   0.60050  1.0 1.0
   48    61   -39    33   0.05600 -1.0 2.0
   48    61   -39    33   0.26150  1.0 3.0
   48    61    39    40   0.30150 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    61    56  -0.11250  1.0 3.0
   49    48    61    62   0.23400  1.0 3.0
   49    48    61    39  -0.11250  1.0 3.0
   50    48    61    56  -0.95700  1.0 1.0
   50    48    61    56  -0.18200 -1.0 2.0
   50    48    61    56   0.29450  1.0 3.0
   50    48    61    62   0.62750  1.0 1.0
   50    48    61    62  -0.30950 -1.0 2.0
   50    48    61    62   0.27300  1.0 3.0
   50    48    61    39  -0.95700  1.0 1.0
   50    48    61    39  -0.18200 -1.0 2.0
   50    48    61    39   0.29450  1.0 3.0
   50    53    54    55   3.62500 -1.0 2.0
   50    53   -54    56   3.62500 -1.0 2.0
   50    53    66    63   3.62500 -1.0 2.0
   50    53    66    69   3.62500 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    66   0.00000  1.0 1.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    66   0.00000  1.0 1.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    56    57   1.05000 -1.0 2.0
   53    54    56    61   2.26350  1.0 1.0
   53    54    56    61   0.76750 -1.0 2.0
   53    54    56    61   0.22500  1.0 3.0
   53    66    69    70   0.00000  1.0 1.0
   53    66    69    71   0.00000  1.0 1.0
   53    66    69    72   0.00000  1.0 1.0
   54    53    66    63   3.62500 -1.0 2.0
   54    53    66    69   3.62500 -1.0 2.0
   54    55   -58    63   3.62500 -1.0 2.0
   54    55    58    75   3.62500 -1.0 2.0
   54    55    59    60   0.84100 -1.0 2.0
   54    56   -61    48   0.05850 -1.0 2.0
   54    56   -61    48   0.17250  1.0 3.0
   54    56    61    62   0.65300  1.0 1.0
   54    56    61    62  -0.03850 -1.0 2.0
   54    56    61    62   0.33900  1.0 3.0
   54    56    61    39   0.65300  1.0 1.0
   54    56    61    39  -0.03850 -1.0 2.0
   54    56    61    39   0.33900  1.0 3.0
   55    54    56    57   1.05000 -1.0 2.0
   55    54    56    61   2.26350  1.0 1.0
   55    54    56    61   0.76750 -1.0 2.0
   55    54    56    61   0.22500  1.0 3.0
   55    58    63    64   3.62500 -1.0 2.0
   55    58    63    66   3.62500 -1.0 2.0
   55    58    75    73   3.62500 -1.0 2.0
   55    58    75    76   3.62500 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   58    63    64    65   3.62500 -1.0 2.0
   58    63    64    67   3.62500 -1.0 2.0
   58    63   -66    53   3.62500 -1.0 2.0
   58    63    66    69   3.62500 -1.0 2.0
   58    75    76    77   0.84100 -1.0 2.0
   63    58    75    73   3.62500 -1.0 2.0
   63    58    75    76   3.62500 -1.0 2.0
   63    64    67    68   3.62500 -1.0 2.0
   63    64   -67    73   3.62500 -1.0 2.0
   63    66    69    70   0.00000  1.0 1.0
   63    66    69    71   0.00000  1.0 1.0
   63    66    69    72   0.00000  1.0 1.0
   64    63    66    53   3.62500 -1.0 2.0
   64    63    66    69   3.62500 -1.0 2.0
   64    67    73    74   3.62500 -1.0 2.0
   64    67    73    75   3.62500 -1.0 2.0
   65    64    67    68   3.62500 -1.0 2.0
   65    64    67    73   3.62500 -1.0 2.0
   67    73   -75    58   3.62500 -1.0 2.0
   67    73    75    76   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   68    67    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.84100 -1.0 2.0
   74    73    75    58   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    58   -63    64   3.62500 -1.0 2.0
   75    58    63    66   3.62500 -1.0 2.0
   66    53   -54    55   3.62500 -1.0 2.0
   66    53    54    56   3.62500 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    67   3.62500 -1.0 2.0
   59    55    58    63   3.62500 -1.0 2.0
   59    55    58    75   3.62500 -1.0 2.0
   56    54    55    58   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    61    39    33   0.65300  1.0 1.0
   56    61    39    33  -0.03850 -1.0 2.0
   56    61    39    33   0.33900  1.0 3.0
   56    61    39    40   0.30150 -1.0 2.0
   57    56    61    48   0.30150 -1.0 2.0
   57    56    61    62   0.30150 -1.0 2.0
   57    56    61    39   0.30150 -1.0 2.0
   61    48    50    51   0.15000  1.0 3.0
   61    48    50    52   0.15000  1.0 3.0
   61    48   -50    53  -0.03700  1.0 1.0
   61    48   -50    53   0.37200 -1.0 2.0
   61    48   -50    53  -0.47300  1.0 3.0
   62    61    39    33   0.55300  1.0 1.0
   62    61    39    33   1.25850 -1.0 2.0
   62    61    39    33  -0.23600  1.0 3.0
   62    61    39    40   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    45   0.00000  1.0 1.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    61   0.65300  1.0 1.0
   41    33    39    61  -0.03850 -1.0 2.0
   41    33    39    61   0.33900  1.0 3.0
   41    33    39    40   0.30150 -1.0 2.0
   42    41    45    46   2.45000 -1.0 2.0
   42    41    45    47   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   54    66    53    50   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   58    59    55    54   4.00000 -1.0 2.0
   63    75    58    55   4.00000 -1.0 2.0
   64    66    63    58   4.00000 -1.0 2.0
   67    65    64    63   1.10000 -1.0 2.0
   73    68    67    64   1.10000 -1.0 2.0
   75    74    73    67   1.10000 -1.0 2.0
   73    76    75    58   4.00000 -1.0 2.0
   63    69    66    53   4.00000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   33    61    39    40  10.50000 -1.0 2.0
   33    45    41    42  10.50000 -1.0 2.0
   47    41    45    46   1.00000 -1.0 2.0
END
