* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    220     418
    1     0 S   NP   _N1_     1    29.51065    96.68191   -19.62475
    2     1 S   H    _HN1     2     1.02828    48.49101   157.40202
    3     1 S   H    _H1_     3     1.02779    80.21188   -77.90656
    4     1 S   H    _H2_     4     1.02953    79.40247    33.03007
    5     1 S   CT   _CA1     5     1.50129   159.19155   153.35860
    6     5 S   HC   _HA1     6     1.09591   105.13857    62.28184
    7     5 S   CO3  _C1_     7     1.53673   112.41477   -57.64051
    8     7 S   O2Z  _O11     8     1.26349   115.00965   -44.13083
    9     7 S   O2Z  _O12     9     1.26230   114.80175   134.73882
   10     5 S   CT   _CB1    10     1.53057   107.40315   179.91153
   11    10 S   HC   HB11    11     1.09820   108.91683   -52.64824
   12    10 S   HC   HB12    12     1.09811   110.58596    63.77350
   13    10 S   CT   _CG1    13     1.53017   112.77974  -173.89334
   14    13 S   HC   HG11    14     1.09621   110.38483   -69.63786
   15    13 S   HC   HG12    15     1.09677   109.96982    49.54518
   16    13 S   C    _CD1    16     1.51863   112.35499   169.51587
   17    16 S   O    _OE1    17     1.22741   123.29781    -0.86230
   18    16 S   N    _N2_    18     1.38566   111.63370   179.88986
   19    18 S   H    _HN2    19     1.01627   119.01696    -1.35494
   20    18 S   CT1  _CA2    20     1.46268   123.52487   176.74954
   21    20 S   HC   _HA2    21     1.09740   109.38103    -6.12593
   22    20 S   C    _C2_    22     1.53481   108.49554  -121.43239
   23    22 S   O    _O2_    23     1.23046   122.39973  -149.58459
   24    20 S   CT   _CB2    32     1.53206   111.27127   116.10574
   25    24 S   HC   HB21    33     1.09321   109.51540    53.90182
   26    24 S   HC   HB22    34     1.09496   110.91356   172.27717
   27    22 S   N    _N3_    24     1.38396   113.56055    38.20411
   28    27 S   H    _HN3    25     1.01623   119.46183    -3.96674
   29    24 S   S    _SG2    35     1.82773   111.14297   -68.83661
   30    27 S   CT   _CA3    26     1.45265   123.11834   176.90434
   31    30 S   HC   HA31    27     1.09552   107.60464   -62.33497
   32    30 S   HC   HA32    28     1.09560   107.85589    54.05235
   33    29 S   CT   _C5_    36     1.83607   100.22145   144.42567
   34    33 S   HC   _H3_    37     1.09518   106.26557    46.01191
   35    30 S   CO3  _C3_    29     1.52924   114.16793   176.04136
   36    35 S   O2Z  _O31    30     1.26362   116.09282     1.41472
   37    35 S   O2Z  _O32    31     1.26436   114.39834  -178.58128
   38    33 S   CM   _C6_    38     1.53481   111.64592   -76.11523
   39    33 S   CT   _C4_    76     1.53096   108.73897   160.07107
   40    39 S   HC   _H5_    77     1.09587   112.61739    58.90861
   41    39 S   HC   _H6_    78     1.09626   110.95652   -61.97993
   42    39 S   HC   _H7_    79     1.09619   110.50701   179.29501
   43    38 S   CMA  _C7_    39     1.36847   122.25901   118.45784
   44    43 S   OM   _O33    40     1.26806   125.60933    -4.17992
   45    38 S   CT   _C22    72     1.52032   115.60490   -64.21820
   46    45 S   HC   _H20    73     1.09461   110.05934   -76.14171
   47    45 S   HC   _H21    74     1.09331   113.31885   162.93814
   48    45 S   HC   _H22    75     1.09361   111.66448    44.12260
   49    43 S   OS   _O34    41     1.41051   112.03818   178.00237
   50    49 S   CT   _C8_    42     1.44810   119.58645  -120.82209
   51    50 S   CT   _C11    43     1.55823   105.68611   158.76119
   52    51 S   HC   _H4_    44     1.10063   109.06122   178.69809
   53    50 S   CT   _C9_    64     1.53756   110.24041   -83.95599
   54    53 S   HC   _H8_    65     1.09433   111.74748    72.93534
   55    53 S   HC   _H9_    66     1.09536   111.32123   -46.01582
   56    53 S   HC   _H10    67     1.09543   111.30446  -167.39948
   57    50 S   CT   _C10    68     1.54220   113.07085    40.30225
   58    57 S   HC   _H11    69     1.09501   111.83098   -70.27416
   59    57 S   HC   _H12    70     1.09542   111.50947    49.07986
   60    57 S   HC   _H13    71     1.09558   111.10872   170.16999
   61    51 S   CT   _C12    45     1.54347   114.79148    56.29998
   62    61 S   HC   _H14    46     1.09371   111.38504    96.14837
   63    61 S   HC   _H15    47     1.09420   113.09978   -27.90143
   64    51 S   OS   _O37    56     1.45869   109.84060   -65.78779
   65    61 S   CA   _C13    48     1.47998    99.57046  -144.27159
   66    65 S   CA   _C14    49     1.38564   129.29973  -169.42331
   67    66 S   HA   _H16    50     1.08551   120.39993     2.73094
   68    66 S   CA   _C15    51     1.39930   118.22191  -175.92874
   69    68 S   CA   _C19    52     1.40213   119.50560     0.39416
   70    69 S   CA   _C20    53     1.39404   122.24960    -0.27411
   71    70 S   HA   _H19    54     1.08338   121.65748   179.49101
   72    69 S   OS   _O36    57     1.41118   120.45278   179.09734
   73    65 S   CA   _C21    55     1.38647   109.45487    14.33325
   74    72 S   CO4  _C18    58     1.38989   121.60226    -1.03854
   75    74 S   O    _O35    59     1.22633   122.05496  -179.25585
   76    74 S   CM   _C17    60     1.47392   116.92906     1.14329
   77    76 S   HC   _H18    61     1.08419   117.07670   179.63792
   78    68 S   CM   _C16    62     1.45371   121.80797   179.23844
   79    78 S   HC   _H17    63     1.08434   118.97115     0.94812
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  13  16  17   8   9   3   2   1   5   2   1   1   9   5   4   6
   8   9   4  10   9   5   2   6   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    53    57    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    61    64    53    54    55    56    57    58    59    60  
   51    52    61    62    63    65    73    64    53    54    55    56    57    58    59    60  
   52    61    62    63    65    66    70    73    64    53    54    55    56    57    58    59    60  
   61    62    63    65    73    64    53    57  
   54    55    56    57    58    59    60    61    64  
   55    56    57  
   56    57  
   57  
   58    59    60    61    64  
   59    60  
   60  
    0  
   62    63    65    66    67    68    70    73    64  
   63    65    66    73    64  
   65    66    73    64  
   65    66    69    70    71    73  
   66    67    68    69    70    71    73    78  
   67    68    69    70    73    72    76    78    79  
   68    69    73    78  
   69    70    71    73    72    74    76    77    78    79  
   70    71    73    72    74    75    76    78    79  
   71    73    72    74    78  
   73    72  
   74    75    76    77    78    73  
    0  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   51    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   317.000  1.510
   65    66   469.000  1.400
   65    73   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    78   320.000  1.460
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    64   450.000  1.364
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    50.00000  109.50000
   49    50    53    50.00000  109.50000
   49    50    57    50.00000  109.50000
   50    51    52    37.50000  110.70000
   50    51    61    58.35000  112.70000
   50    51    64    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    65    70.00000  112.17500
   51    64    73    75.00000  111.00000
   61    51    52    37.50000  110.70000
   61    65    66    70.00000  120.00000
   61    65    73    70.00000  120.00000
   63    61    62    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    73    70    63.00000  120.00000
   65    73    64    70.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    78    60.00000  120.93500
   68    66    67    35.00000  120.00000
   68    69    70    63.00000  120.00000
   68    69    72    70.00000  120.00000
   68    78    76    60.00000  123.20500
   68    78    79    40.00000  117.26300
   69    70    71    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    72    74    85.00000  115.98000
   70    73    64    70.00000  120.00000
   73    65    66    63.00000  120.00000
   73    70    71    35.00000  120.00000
   64    51    52    35.00000  109.50000
   64    51    61    50.00000  109.50000
   72    69    70    70.00000  120.00000
   72    74    75    83.00000  123.40000
   72    74    76    90.00000  111.29400
   74    76    77    40.00000  117.72500
   74    76    78    65.00000  118.96000
   76    74    75    80.00000  123.72100
   76    78    79    35.00000  120.00000
   78    68    69    60.00000  120.93500
   78    76    77    35.00000  120.00000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51  -0.46850  1.0 1.0
   43    49    50    51   0.09300 -1.0 2.0
   43    49    50    51  -0.12850  1.0 3.0
   43    49    50    53  -0.46850  1.0 1.0
   43    49    50    53   0.09300 -1.0 2.0
   43    49    50    53  -0.12850  1.0 3.0
   43    49    50    57  -0.46850  1.0 1.0
   43    49    50    57   0.09300 -1.0 2.0
   43    49    50    57  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.23400  1.0 3.0
   49    50    51    61   0.62750  1.0 1.0
   49    50    51    61  -0.30950 -1.0 2.0
   49    50    51    61   0.27300  1.0 3.0
   49    50    51    64   1.11900  1.0 1.0
   49    50    51    64  -1.16350 -1.0 2.0
   49    50    51    64  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   49    50    57    58   0.23400  1.0 3.0
   49    50    57    59   0.23400  1.0 3.0
   49    50    57    60   0.23400  1.0 3.0
   50    51    61    62   0.15000  1.0 3.0
   50    51    61    63   0.15000  1.0 3.0
   50    51    61    65  -0.03700  1.0 1.0
   50    51    61    65   0.37200 -1.0 2.0
   50    51    61    65  -0.47300  1.0 3.0
   50    51    64    73  -0.32850  1.0 1.0
   50    51    64    73  -0.35800 -1.0 2.0
   50    51    64    73   0.33950  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61    65    66   0.04150 -1.0 2.0
   51    61   -65    73   0.04150 -1.0 2.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    65   0.43200  1.0 3.0
   52    51    64    73   0.08050  1.0 3.0
   61    51   -64    73  -0.32850  1.0 1.0
   61    51   -64    73  -0.35800 -1.0 2.0
   61    51   -64    73   0.33950  1.0 3.0
   61    65    66    67   3.62500 -1.0 2.0
   61    65    66    68   3.62500 -1.0 2.0
   61    65    73    70   3.62500 -1.0 2.0
   61    65   -73    64   3.62500 -1.0 2.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    73   0.00000  1.0 1.0
   63    61    65    66   0.00000  1.0 1.0
   63    61    65    73   0.00000  1.0 1.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    78   3.62500 -1.0 2.0
   65    73   -64    51   1.63200 -1.0 2.0
   66    65    73    70   3.62500 -1.0 2.0
   66    65    73    64   3.62500 -1.0 2.0
   66    68   -69    70   3.62500 -1.0 2.0
   66    68    69    72   3.62500 -1.0 2.0
   66    68    78    76   0.15800  1.0 1.0
   66    68    78    76   1.85350 -1.0 2.0
   66    68    78    76  -0.48700  1.0 3.0
   66    68    78    79   0.56550  1.0 3.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    78   3.62500 -1.0 2.0
   68    69    70    71   3.62500 -1.0 2.0
   68    69    70    73   3.62500 -1.0 2.0
   68    69    72    74   0.01300  1.0 1.0
   68    69    72    74   0.97950 -1.0 2.0
   68    69    72    74  -0.55700  1.0 3.0
   69    68    78    76   0.15800  1.0 1.0
   69    68    78    76   1.85350 -1.0 2.0
   69    68    78    76  -0.48700  1.0 3.0
   69    68    78    79   0.56550  1.0 3.0
   69    70   -73    65   3.62500 -1.0 2.0
   69    70    73    64   3.62500 -1.0 2.0
   69    72    74    75   3.00000 -1.0 2.0
   69    72   -74    76   2.00000 -1.0 2.0
   70    69    72    74   0.01300  1.0 1.0
   70    69    72    74   0.97950 -1.0 2.0
   70    69    72    74  -0.55700  1.0 3.0
   70    73    64    51   1.63200 -1.0 2.0
   71    70    73    65   3.62500 -1.0 2.0
   71    70    73    64   3.62500 -1.0 2.0
   73    65    66    67   3.62500 -1.0 2.0
   73    65   -66    68   3.62500 -1.0 2.0
   64    51    61    62   0.23400  1.0 3.0
   64    51    61    63   0.23400  1.0 3.0
   64    51   -61    65  -0.64350  1.0 1.0
   64    51   -61    65  -0.04200 -1.0 2.0
   64    51   -61    65   0.19800  1.0 3.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    73   3.62500 -1.0 2.0
   72    74    76    77   1.63100 -1.0 2.0
   72    74    76    78  -0.56150  1.0 1.0
   72    74    76    78   2.19150 -1.0 2.0
   74    76   -78    68   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   1.00000 -1.0 2.0
   77    76    78    68   7.00000 -1.0 2.0
   77    76    78    79   7.00000 -1.0 2.0
   78    68    69    70   3.62500 -1.0 2.0
   78    68   -69    72   3.62500 -1.0 2.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    61   0.56750  1.0 1.0
   53    50    51    61  -0.07550 -1.0 2.0
   53    50    51    61   0.20000  1.0 3.0
   53    50    51    64   0.62750  1.0 1.0
   53    50    51    64  -0.30950 -1.0 2.0
   53    50    51    64   0.27300  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    61   0.56750  1.0 1.0
   57    50    51    61  -0.07550 -1.0 2.0
   57    50    51    61   0.20000  1.0 3.0
   57    50    51    64   0.62750  1.0 1.0
   57    50    51    64  -0.30950 -1.0 2.0
   57    50    51    64   0.27300  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   66    73    65    61   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   69    78    68    66   4.00000 -1.0 2.0
   70    72    69    68   4.00000 -1.0 2.0
   73    71    70    69   1.10000 -1.0 2.0
   70    64    73    65   4.00000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    77    76    78   1.10000 -1.0 2.0
   68    79    78    76   1.10000 -1.0 2.0
END
