* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    138    216     394
    1     0 S   NP   _N1_     1    28.38874    95.60910   -23.64249
    2     1 S   H    _HN1     2     1.02782   105.23567  -110.90368
    3     1 S   H    _H1_     3     1.02958    82.91528    -3.77745
    4     1 S   H    _H2_     4     1.02833    27.06226   149.46952
    5     1 S   CT   _CA1     5     1.50126   132.63595   107.48792
    6     5 S   HC   _HA1     6     1.09574   105.22209    78.14882
    7     5 S   CO3  _C1_     7     1.53783   112.39788   -42.06559
    8     7 S   O2Z  _O11     8     1.26365   115.00192   -43.54568
    9     7 S   O2Z  _O12     9     1.26238   114.93266   135.59560
   10     5 S   CT   _CB1    10     1.53088   107.41792  -163.92905
   11    10 S   HC   HB11    11     1.09829   109.32870   -50.54963
   12    10 S   HC   HB12    12     1.09817   110.41808    65.99874
   13    10 S   CT   _CG1    13     1.53019   112.68687  -171.62661
   14    13 S   HC   HG11    14     1.09592   110.50266   -64.42864
   15    13 S   HC   HG12    15     1.09655   109.92126    54.79472
   16    13 S   C    _CD1    16     1.51819   112.28621   175.16406
   17    16 S   O    _OE1    17     1.22736   123.24071     0.54680
   18    16 S   N    _N2_    18     1.38576   111.70219  -179.44257
   19    18 S   H    _HN2    19     1.01555   119.07335     3.61563
   20    18 S   CT1  _CA2    20     1.46002   122.89545   178.12330
   21    20 S   HC   _HA2    21     1.09650   110.02596    21.67301
   22    20 S   C    _C2_    22     1.52717   104.41309   -95.95832
   23    22 S   O    _O2_    23     1.23056   122.43521   -81.03437
   24    20 S   CT   _CB2    32     1.53273   111.71196   145.11209
   25    24 S   HC   HB21    33     1.09529   110.20637    51.28485
   26    24 S   HC   HB22    34     1.09347   109.44010   169.76619
   27    22 S   N    _N3_    24     1.38457   113.14104    94.27676
   28    27 S   H    _HN3    25     1.01700   120.16129     1.38931
   29    24 S   S    _SG2    35     1.83011   110.71429   -68.35343
   30    27 S   CT   _CA3    26     1.45339   122.35080  -178.01929
   31    30 S   HC   HA31    27     1.09571   107.42467   -63.01004
   32    30 S   HC   HA32    28     1.09575   107.91942    53.20511
   33    29 S   CT   _C6_    36     1.88513   101.78218  -159.79583
   34    30 S   CO3  _C3_    29     1.52855   114.64919   175.09543
   35    34 S   O2Z  _O31    30     1.26292   116.21279    -4.66023
   36    34 S   O2Z  _O32    31     1.26481   114.34634   175.56244
   37    33 S   CM   _C11    37     1.54410   109.40526    63.80607
   38    33 S   CM   _C5_    74     1.53799   104.92423  -174.46884
   39    38 S   HC   _H7_    75     1.09029   116.30755    41.02788
   40    37 S   N4   _N4_    38     1.36420   118.31853  -144.70461
   41    37 S   CMA  _C12    71     1.53543   121.78551    43.51421
   42    41 S   OM   _O34    72     1.26434   119.78946  -115.48735
   43    41 S   OM   _O35    73     1.26256   121.84920    65.12974
   44    38 S   CM   _C4_    76     1.34073   127.75951  -142.20119
   45    44 S   HC   _H5_    77     1.08458   120.26159  -178.64752
   46    44 S   HC   _H6_    78     1.08378   122.32931     1.12152
   47    40 S   C4   _C10    39     1.35195   137.19618  -159.07589
   48    47 S   O    _O33    40     1.20893   134.68617    -1.18366
   49    40 S   C4T  _C8_    43     1.45010   125.71589    27.95482
   50    49 S   HC   _H3_    44     1.09786   111.99385    73.64078
   51    47 S   C4T  _C9_    41     1.55992    89.69910   174.61970
   52    51 S   HC   _H4_    42     1.09630   112.26725   123.91772
   53    49 S   S    _S1_    45     1.80678   110.58781   -54.01893
   54    33 S   CT   _C7_    46     1.55765   107.26168   -62.01763
   55    54 S   HC   _H8_    47     1.09698   111.69533   -68.61814
   56    54 S   HC   _H9_    48     1.09398   112.21185    51.24906
   57    51 S   N    _N5_    49     1.47861   113.50566  -107.39706
   58    57 S   H    _H10    50     1.01743   119.21855    29.86344
   59    57 S   C    _C13    51     1.37862   122.66442  -152.09816
   60    59 S   O    _O36    52     1.22080   128.46445     1.04380
   61    59 S   CD   _C14    53     1.50583   112.88571  -179.44468
   62    61 S   C5B  _C17    54     1.45249   119.75987   -90.14382
   63    61 S   NI   _N6_    63     1.29798   121.72178    89.75231
   64    62 S   C5A  _C18    55     1.38200   125.49562  -179.02462
   65    64 S   HA   _H13    56     1.08114   128.81474     0.18023
   66    63 S   OS   _O37    64     1.40223   111.32748     0.14537
   67    64 S   SA   _S2_    57     1.71111   110.17659  -179.82983
   68    66 S   CT   _C15    65     1.42422   108.22219  -179.56479
   69    68 S   HC   _H11    66     1.09590   110.00003   -60.72667
   70    68 S   HC   _H12    67     1.09596   109.70826    59.52828
   71    67 S   CRA  _C19    58     1.72289    89.90866     0.05595
   72    68 S   CO3  _C16    68     1.52439   107.74366  -179.76344
   73    72 S   O2Z  _O39    69     1.26372   115.35739    61.96273
   74    72 S   O2Z  _O38    70     1.26373   115.07331  -119.04866
   75    62 S   N5B  _N7_    59     1.38772   120.13491     1.21063
   76    71 S   NE   _N8_    60     1.34634   120.37983   179.91607
   77    76 S   H    _H14    61     1.01418   121.43776  -179.83214
   78    76 S   H    _H15    62     1.01395   122.02196     0.06853
  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  11   5   4   3
  16   2   1   1  16  10   4  12   5   1   1   3   1   1   9   4
  10   5   8   4   4   2   1   1   6   3   7   3   9   8   7   5
   3   6   5   5   4   3   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    53    54    55    56    41    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    47    49    53    54    55    56    41    42    43    38    39    44    45    46  
   35    36  
   36  
    0  
   40    47    48    51    49    50    53    54    55    56    41    42    43    38    39    44  
   39    44    45    46    40    41    53    54    55    56  
   44    45    46    54  
   47    48    51    52    49    50    53    54    57    41    42    43  
   42    43    47    49    54  
   43  
    0  
   45    46    54  
   46  
    0  
   48    51    52    49    50    53    57    58    59  
   51    52    49    57  
   50    53    54    55    56    57    58    59    51    52  
   53    54    57    51    52  
   52    53    54    57    58    59    60    61  
   53    57    58    59  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    64    75    63    66  
   61    62    63  
   62    64    65    67    71    75    63    66    68  
   64    65    67    71    75    76    63    66  
   66    68    69    70    72    64    75  
   65    67    71    75    76  
   67    71    75  
   68    69    70    72    73    74  
   71    75    76    77    78  
   69    70    72    73    74  
   70    72    73    74  
   72    73    74  
   75    76    77    78  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   63   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   64   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   68   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   76   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.360000   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  1.510
   33    54   268.000  1.529
   33    38   317.000  1.510
   37    40   400.000  1.384
   37    41   465.000  1.376
   40    47   440.000  1.369
   40    49   305.000  1.456
   47    48   930.000  1.212
   47    51   250.000  1.540
   51    52   340.000  1.090
   51    49   268.000  1.529
   51    57   337.000  1.449
   49    50   340.000  1.090
   49    53   200.000  1.824
   53    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    59   490.000  1.335
   59    60   570.000  1.229
   59    61   270.000  1.486
   61    62   305.000  1.466
   61    63   500.000  1.261
   62    64   520.000  1.370
   62    75   410.000  1.394
   64    65   367.000  1.080
   64    67   265.000  1.745
   67    71   250.000  1.765
   71    75   488.000  1.335
   71    76   420.000  1.385
   76    77   434.000  1.010
   76    78   434.000  1.010
   63    66   320.000  1.394
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
   41    42   745.000  1.250
   41    43   745.000  1.250
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    46   340.000  1.080
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  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  113.82800
   33    37    41    70.00000  124.00000
   33    54    53    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    47    50.00000  132.10000
   37    40    49    50.00000  132.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  137.10300
   40    47    48    75.00000  131.60000
   40    47    51    95.00000   92.72400
   40    49    51   105.00000   87.49700
   40    49    50    50.00000  112.01000
   40    49    53    80.00000  108.62000
   47    51    52    40.00000  113.37500
   47    51    49   100.00000   86.36000
   47    51    57    75.00000  110.24000
   51    47    48    60.00000  136.58000
   51    49    50    37.50000  110.70000
   51    49    53    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    59    50.00000  121.90000
   49    40    47   100.00000   93.00000
   49    51    52    37.50000  110.70000
   49    53    54    85.00000   99.86700
   53    49    50    45.00000  109.41400
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    52    50.00000  112.01000
   57    51    49    80.00000  110.05700
   57    59    60    80.00000  122.90000
   57    59    61    75.00000  109.57000
   59    57    58    35.00000  119.80000
   59    61    62    75.00000  114.44000
   59    61    63    65.00000  123.79500
   61    59    60    80.00000  120.45000
   61    62    64    60.00000  121.09900
   61    62    75    60.00000  126.00000
   61    63    66   100.00000  109.52600
   62    64    65    35.00000  130.70000
   62    64    67    80.00000  111.29200
   62    75    71    70.00000  110.00000
   64    67    71   120.00000   89.04400
   67    64    65    40.00000  122.38200
   67    71    75    80.00000  114.57700
   67    71    76    70.00000  122.29500
   71    76    77    35.00000  113.50000
   71    76    78    35.00000  113.50000
   75    62    64    70.00000  111.00000
   76    71    75    75.00000  125.31200
   78    76    77    35.00000  109.00000
   63    61    62    65.00000  124.33800
   63    66    68   110.00000  106.71400
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    72    85.00000  109.63000
   68    72    73    70.00000  117.00000
   68    72    74    70.00000  117.00000
   70    68    69    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    35.00000  109.50000
   74    72    73    80.00000  126.00000
   41    37    40    75.00000  120.83300
   43    41    42    65.00000  121.00000
   38    33    37    70.00000  110.12100
   38    33    54    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    46    35.00000  120.00000
   44    38    39    35.00000  120.00000
   46    44    45    35.00000  117.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    54    53   0.56750  1.0 1.0
   29    33    54    53  -0.07550 -1.0 2.0
   29    33    54    53   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    47   0.00000  1.0 1.0
   33    37    40    49   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   37    33    54    53   0.56750  1.0 1.0
   37    33    54    53  -0.07550 -1.0 2.0
   37    33    54    53   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40    47    48   3.00000 -1.0 2.0
   37    40    47    51   3.00000 -1.0 2.0
   37    40   -49    51   0.00000  1.0 1.0
   37    40    49    50   0.00000  1.0 1.0
   37    40   -49    53   0.00000  1.0 1.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    43   7.00000 -1.0 2.0
   40    47    51    52   0.00000  1.0 1.0
   40    47   -51    49   3.00000 -1.0 2.0
   40    47    51    57   0.00000  1.0 1.0
   40    49    53    54   0.01700  1.0 1.0
   40    49    53    54  -0.23550 -1.0 2.0
   40    49    53    54   0.21350  1.0 3.0
   47    40   -49    51   0.00000  1.0 1.0
   47    40    49    50   0.00000  1.0 1.0
   47    40    49    53   0.00000  1.0 1.0
   47    51   -49    40   3.00000 -1.0 2.0
   47    51   -49    50   0.15000  1.0 3.0
   47    51   -49    53   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59  -0.42300  1.0 1.0
   47    51    57    59  -0.07000 -1.0 2.0
   47    51    57    59   0.04150  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49  -0.11250  1.0 1.0
   48    47    51    49   0.11400 -1.0 2.0
   48    47    51    49  -0.28950  1.0 3.0
   48    47    51    57   0.30150 -1.0 2.0
   51    49    53    54   0.25150  1.0 1.0
   51    49    53    54  -1.17200 -1.0 2.0
   51    49    53    54   0.53050  1.0 3.0
   51    57    59    60   3.04450 -1.0 2.0
   51    57    59    61   1.49850  1.0 1.0
   51    57    59    61   1.53950 -1.0 2.0
   52    51   -49    40   0.15000  1.0 3.0
   52    51    49    50   0.15000  1.0 3.0
   52    51    49    53   0.00000  1.0 1.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   49    40   -47    48   3.00000 -1.0 2.0
   49    40   -47    51   3.00000 -1.0 2.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59  -0.43950  1.0 1.0
   49    51    57    59  -0.08100 -1.0 2.0
   49    51    57    59   0.03350  1.0 3.0
   49    53   -54    33  -0.25000 -1.0 2.0
   49    53   -54    33  -0.01800  1.0 3.0
   49    53    54    55   0.32350  1.0 3.0
   49    53    54    56   0.32350  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   54    33   -37    40  -0.93550  1.0 1.0
   54    33   -37    40   0.38900 -1.0 2.0
   54    33   -37    40   0.16950  1.0 3.0
   54    33    37    41   0.09850  1.0 1.0
   54    33    37    41   0.15250 -1.0 2.0
   54    33    37    41  -0.50650  1.0 3.0
   54    33    38    39   0.00000  1.0 1.0
   54    33    38    44   0.09850  1.0 1.0
   54    33    38    44   0.15250 -1.0 2.0
   54    33    38    44  -0.50650  1.0 3.0
   57    51   -49    40   2.20050  1.0 1.0
   57    51   -49    40   0.63450 -1.0 2.0
   57    51   -49    40  -0.91300  1.0 3.0
   57    51    49    50   0.15000  1.0 3.0
   57    51    49    53   0.00000  1.0 1.0
   57    59    61    62   1.50000 -1.0 2.0
   57    59    61    63   1.50000 -1.0 2.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   2.56700 -1.0 2.0
   59    61    62    64   0.30050 -1.0 2.0
   59    61    62    64   0.16600  1.0 3.0
   59    61    62    75   0.30050 -1.0 2.0
   59    61    62    75   0.16600  1.0 3.0
   59    61    63    66   6.00000 -1.0 2.0
   60    59    61    62   1.00000 -1.0 2.0
   60    59    61    63   1.00000 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    67   3.62500 -1.0 2.0
   61    62    75    71   3.62500 -1.0 2.0
   61    63    66    68   1.50000 -1.0 2.0
   62    61    63    66   6.00000 -1.0 2.0
   62    64   -67    71   3.62500 -1.0 2.0
   64    62   -75    71   2.40000 -1.0 2.0
   64    67   -71    75   3.62500 -1.0 2.0
   64    67    71    76   3.62500 -1.0 2.0
   65    64    67    71   3.62500 -1.0 2.0
   67    71   -75    62   3.62500 -1.0 2.0
   67    71    76    77   0.47600 -1.0 2.0
   67    71    76    78   0.47600 -1.0 2.0
   75    62    64    65   3.62500 -1.0 2.0
   75    62   -64    67   3.62500 -1.0 2.0
   75    71    76    77   1.75000 -1.0 2.0
   75    71    76    78   1.75000 -1.0 2.0
   76    71    75    62   3.62500 -1.0 2.0
   63    61    62    64   1.02250 -1.0 2.0
   63    61    62    75   1.02250 -1.0 2.0
   63    66    68    69   0.37500  1.0 3.0
   63    66    68    70   0.37500  1.0 3.0
   63    66    68    72   0.37500  1.0 3.0
   66    68    72    73   0.30150 -1.0 2.0
   66    68    72    74   0.30150 -1.0 2.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   70    68    72    73   0.00000  1.0 1.0
   70    68    72    74   0.00000  1.0 1.0
   41    37    40    47   0.00000  1.0 1.0
   41    37    40    49   0.00000  1.0 1.0
   38    33    37    40  -1.35150  1.0 1.0
   38    33    37    40   0.13900 -1.0 2.0
   38    33    37    40   0.25250  1.0 3.0
   38    33    37    41  -0.28300  1.0 1.0
   38    33    37    41   0.26700 -1.0 2.0
   38    33    37    41  -0.63300  1.0 3.0
   38    33    54    53   0.56750  1.0 1.0
   38    33    54    53  -0.07550 -1.0 2.0
   38    33    54    53   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   49    47    40    37   1.00000 -1.0 2.0
   40    51    47    48  10.50000 -1.0 2.0
   58    59    57    51   1.00000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   59    62    61    63  10.50000 -1.0 2.0
   64    75    62    61   4.00000 -1.0 2.0
   67    65    64    62   1.10000 -1.0 2.0
   75    76    71    67   4.00000 -1.0 2.0
   78    71    76    77   1.00000 -1.0 2.0
   73    68    72    74  10.50000 -1.0 2.0
   42    43    41    37   1.10000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
END
