* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    142    212     409
    1     0 S   NP   _N1_     1    28.60752    98.05562   -20.06821
    2     1 S   H    _HN1     2     1.02955    68.97808    -8.08709
    3     1 S   H    _H1_     3     1.02835    48.12116   132.05148
    4     1 S   H    _H2_     4     1.02779    93.04896  -116.53902
    5     1 S   CT   _CA1     5     1.50111   152.56133    86.00503
    6     5 S   HC   _HA1     6     1.09583   105.21162    94.19501
    7     5 S   CO3  _C1_     7     1.53804   112.27477   -25.87629
    8     7 S   O2Z  _O11     8     1.26350   115.05220   -47.02118
    9     7 S   O2Z  _O12     9     1.26241   114.92035   132.00729
   10     5 S   CT   _CB1    10     1.53106   107.39273  -148.07375
   11    10 S   HC   HB11    11     1.09819   109.33164   -51.63264
   12    10 S   HC   HB12    12     1.09814   110.45933    64.94649
   13    10 S   CT   _CG1    13     1.52943   112.56685  -172.76066
   14    13 S   HC   HG11    14     1.09463   110.21752   -63.88016
   15    13 S   HC   HG12    15     1.09644   110.06918    55.26330
   16    13 S   C    _CD1    16     1.51761   112.49188   175.76691
   17    16 S   O    _OE1    17     1.22744   123.32769    -3.74178
   18    16 S   N    _N2_    18     1.38499   111.65569   176.51238
   19    18 S   H    _HN2    19     1.01717   119.11597     3.12763
   20    18 S   CT1  _CA2    20     1.45722   123.01026   178.48431
   21    20 S   HC   _HA2    21     1.09729   108.85177    24.89883
   22    20 S   C    _C2_    22     1.52921   107.21366   -92.19263
   23    22 S   O    _O2_    23     1.22964   123.13367   -25.64677
   24    20 S   CT   _CB2    32     1.53107   112.09563   147.91934
   25    24 S   HC   HB21    33     1.09527   110.37994    57.57716
   26    24 S   HC   HB22    34     1.09547   110.40088   175.25608
   27    22 S   N    _N3_    24     1.38509   112.49350   157.07050
   28    27 S   H    _HN3    25     1.01650   120.34875    -2.32566
   29    24 S   S    _SG2    35     1.82793   111.35113   -65.95918
   30    27 S   CT   _CA3    26     1.45355   122.52009   178.54062
   31    30 S   HC   HA31    27     1.09566   107.87412   -54.55801
   32    30 S   HC   HA32    28     1.09560   107.56536    61.79917
   33    29 S   CT   _C21    36     1.83328    99.98493   127.23343
   34    33 S   HC   _H3_    37     1.09543   110.12815    34.45161
   35    30 S   CO3  _C3_    29     1.52896   114.27931  -176.47986
   36    35 S   O2Z  _O31    30     1.26343   116.04224     0.55320
   37    35 S   O2Z  _O32    31     1.26432   114.42202  -179.50742
   38    33 S   CO4  _C20    38     1.50977   107.92221   -81.52821
   39    38 S   O    _O33    39     1.22915   122.14964    79.76752
   40    33 S   CM   _C12    52     1.51297   109.97766   153.76373
   41    38 S   CA   _C19    40     1.47077   117.53229   -96.39809
   42    40 S   CT   _C11    53     1.53503   113.19416   -78.43015
   43    42 S   HC   _H13    54     1.09325   109.81563    45.84300
   44    42 S   HC   _H14    55     1.09715   111.42261   159.97357
   45    41 S   CA   _C18    41     1.40449   118.43108   163.16556
   46    45 S   HA   _H18    42     1.08686   121.16576     2.03086
   47    42 S   CM   _C10    56     1.50548   112.04253   -79.72122
   48    47 S   HC   _H12    57     1.09018   113.66332   -69.94663
   49    45 S   CA   _C17    43     1.39032   120.22152  -177.18888
   50    49 S   HA   _H17    44     1.08613   120.15129   179.30875
   51    47 S   CM   _C9_    58     1.34814   128.38531   110.63270
   52    49 S   CA   _C16    45     1.38775   119.50051    -0.23656
   53    52 S   HA   _H16    46     1.08614   120.09817   179.74899
   54    51 S   CT   _C22    59     1.50423   124.95322    -0.53413
   55    54 S   HC   _H19    60     1.09503   110.05922   121.80279
   56    54 S   HC   _H20    61     1.09144   113.69158     1.54446
   57    54 S   HC   _H21    62     1.09416   110.48177  -118.59636
   58    51 S   CT   _C8_    63     1.51842   119.79302   178.24587
   59    58 S   HC   _H10    64     1.09782   108.44332  -129.82876
   60    58 S   HC   _H11    65     1.09846   110.49980   -14.93638
   61    52 S   CA   _C15    47     1.39889   120.01191    -0.58383
   62    61 S   HA   _H15    48     1.08854   117.15477  -179.47140
   63    58 S   CT   _C7_    66     1.53498   114.31699   108.54711
   64    63 S   HC   _H8_    67     1.09270   110.17035    60.27361
   65    63 S   HC   _H9_    68     1.09758   108.15302   175.12963
   66    41 S   CA   _C14    49     1.40110   119.76529   -15.37080
   67    63 S   CM   _C6_    69     1.50439   112.59983   -66.43344
   68    67 S   HC   _H7_    70     1.08989   113.85947   -61.81210
   69    66 S   CMA  _C13    50     1.51658   122.95259    -5.27567
   70    69 S   OM   _O34    51     1.26915   119.09255  -165.89321
   71    67 S   CM   _C5_    71     1.34664   128.31398   118.86188
   72    71 S   CT   _C4_    72     1.50628   120.20577   179.32944
   73    72 S   HC   _H4_    73     1.09403   110.39042   119.62458
   74    72 S   HC   _H5_    74     1.09511   112.44014    -0.46604
   75    72 S   HC   _H6_    75     1.09495   110.21817  -120.51930
   76    71 S   CT   _C23    76     1.50237   125.50799    -0.60716
   77    76 S   HC   _H22    77     1.09506   110.00441   118.14577
   78    76 S   HC   _H23    78     1.09436   110.17127  -122.64502
   79    76 S   HC   _H24    79     1.09119   113.77923    -2.47552
  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   8   5   4   3
  13   6   2   1   1  10   4  11  10  10   5   4   8   4  11   3
   6   3  11   5   3   7   3   2   1   8   5   4   4   2   7   4
   3   2  10   3   1   1   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    69    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    45    66    69    70    40    42    43    44    47  
   38    39    41    69    40    42  
   36    37  
   37  
    0  
   39    41    45    46    49    61    66    69    40    42  
   41    45    66    40  
   42    43    44    47    48    51    41    61    66    69    70  
   45    46    49    50    52    61    62    66    69    70  
   43    44    47    48    51    54    58    66    69    70  
   44    47    48    51    69  
   47    48    51    69  
   46    49    50    52    53    61    66    69  
   49    50    52    66  
   48    51    54    55    56    57    58    59    60    63    69  
   51    54    58  
   50    52    53    61    62    66  
   52    53    61  
   54    55    56    57    58    59    60    63    64    65    67  
   53    61    62    66    69  
   61    62    66  
   55    56    57    58    59    60    63  
   56    57    58  
   57    58  
   58  
   59    60    63    64    65    67    68    71  
   60    63    64    65    67  
   63    64    65    67  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    76  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    73    74    75    76    77    78    79  
   71    72    76  
   70  
    0  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   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  1.522
   33    40   317.000  1.510
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    45   469.000  1.400
   41    66   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    69   320.000  1.460
   69    70   745.000  1.250
   69    40   465.000  1.376
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    54   317.000  1.510
   51    58   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   317.000  1.510
   67    68   340.000  1.080
   67    71   549.000  1.340
   71    72   317.000  1.510
   71    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    69    70.00000  124.00000
   33    40    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  119.52600
   38    41    66    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   41    66    61    63.00000  120.00000
   41    66    69    60.00000  120.93500
   45    49    50    35.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    61    63.00000  120.00000
   52    49    50    35.00000  120.00000
   52    61    62    35.00000  120.00000
   52    61    66    63.00000  120.00000
   61    52    53    35.00000  120.00000
   61    66    69    60.00000  120.93500
   66    41    45    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    69    70    85.00000  114.86500
   66    69    40    60.00000  123.20500
   69    40    42    70.00000  124.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    69    70    65.00000  137.10300
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    47    70.00000  110.12100
   42    47    48    35.00000  117.00000
   42    47    51    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    51    54    70.00000  124.00000
   47    51    58    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    63    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    54    65.00000  117.92700
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    67    70.00000  112.02700
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    67    68    35.00000  117.00000
   63    67    71    70.00000  124.00000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    71    72    70.00000  124.00000
   67    71    76    70.00000  124.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    71    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    69   0.42700  1.0 1.0
   29    33    40    69  -0.70350 -1.0 2.0
   29    33    40    69  -0.43150  1.0 3.0
   29    33    40    42   0.30250  1.0 1.0
   29    33    40    42  -0.14950 -1.0 2.0
   29    33    40    42   0.36900  1.0 3.0
   33    38    41    45   2.26350  1.0 1.0
   33    38    41    45   0.76750 -1.0 2.0
   33    38    41    45   0.22500  1.0 3.0
   33    38    41    66   2.26350  1.0 1.0
   33    38    41    66   0.76750 -1.0 2.0
   33    38    41    66   0.22500  1.0 3.0
   33    40    42    43   0.34800  1.0 3.0
   33    40    42    44   0.34800  1.0 3.0
   33    40    42    47   0.09700  1.0 1.0
   33    40    42    47   0.15600 -1.0 2.0
   33    40    42    47  -0.50800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    69   0.00000  1.0 1.0
   34    33    40    42   0.34800  1.0 3.0
   38    33    40    69  -0.51250  1.0 1.0
   38    33    40    69  -0.88800 -1.0 2.0
   38    33    40    69   0.08850  1.0 3.0
   38    33    40    42   0.17250  1.0 1.0
   38    33    40    42  -0.04100 -1.0 2.0
   38    33    40    42  -0.33850  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   38    41    66    61   3.62500 -1.0 2.0
   38    41   -66    69   3.62500 -1.0 2.0
   39    38    41    45   1.05000 -1.0 2.0
   39    38    41    66   1.05000 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45    49    52   3.62500 -1.0 2.0
   41    66    69    70  -0.01750  1.0 1.0
   41    66    69    70  -0.32000 -1.0 2.0
   41    66    69    70   0.00600  1.0 3.0
   41    66    69    40   0.15800  1.0 1.0
   41    66    69    40   1.85350 -1.0 2.0
   41    66    69    40  -0.48700  1.0 3.0
   45    41    66    61   3.62500 -1.0 2.0
   45    41    66    69   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49   -52    61   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   49    52    61    62   3.62500 -1.0 2.0
   49    52    61    66   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    61   3.62500 -1.0 2.0
   52    61   -66    41   3.62500 -1.0 2.0
   52    61    66    69   3.62500 -1.0 2.0
   53    52    61    62   3.62500 -1.0 2.0
   53    52    61    66   3.62500 -1.0 2.0
   61    66    69    70  -0.01750  1.0 1.0
   61    66    69    70  -0.32000 -1.0 2.0
   61    66    69    70   0.00600  1.0 3.0
   61    66    69    40   0.15800  1.0 1.0
   61    66    69    40   1.85350 -1.0 2.0
   61    66    69    40  -0.48700  1.0 3.0
   62    61    66    41   3.62500 -1.0 2.0
   62    61    66    69   3.62500 -1.0 2.0
   66    41    45    46   3.62500 -1.0 2.0
   66    41   -45    49   3.62500 -1.0 2.0
   66    69   -40    33   7.00000 -1.0 2.0
   66    69    40    42   7.00000 -1.0 2.0
   69    40    42    43   0.00000  1.0 1.0
   69    40    42    44   0.00000  1.0 1.0
   69    40    42    47  -0.28300  1.0 1.0
   69    40    42    47   0.26700 -1.0 2.0
   69    40    42    47  -0.63300  1.0 3.0
   70    69    40    33   7.00000 -1.0 2.0
   70    69    40    42   7.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    41   0.65300  1.0 1.0
   40    33   -38    41  -0.03850 -1.0 2.0
   40    33   -38    41   0.33900  1.0 3.0
   40    42    47    48   0.00000  1.0 1.0
   40    42    47    51  -0.28300  1.0 1.0
   40    42    47    51   0.26700 -1.0 2.0
   40    42    47    51  -0.63300  1.0 3.0
   42    47    51    54   7.00000 -1.0 2.0
   42    47    51    58   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    51   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    51   0.00000  1.0 1.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    56   0.00000  1.0 1.0
   47    51    54    57   0.00000  1.0 1.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    60   0.00000  1.0 1.0
   47    51    58    63   0.09850  1.0 1.0
   47    51    58    63   0.15250 -1.0 2.0
   47    51    58    63  -0.50650  1.0 3.0
   48    47    51    54   7.00000 -1.0 2.0
   48    47    51    58   7.00000 -1.0 2.0
   51    58    63    64   0.15000  1.0 3.0
   51    58    63    65   0.15000  1.0 3.0
   51    58    63    67   0.31000  1.0 1.0
   51    58    63    67   0.14700 -1.0 2.0
   51    58    63    67   0.07550  1.0 3.0
   54    51    58    59   0.34800  1.0 3.0
   54    51    58    60   0.34800  1.0 3.0
   54    51    58    63   0.46850  1.0 1.0
   54    51    58    63   0.08550 -1.0 2.0
   54    51    58    63   0.09800  1.0 3.0
   58    51    54    55   0.34800  1.0 3.0
   58    51    54    56   0.34800  1.0 3.0
   58    51    54    57   0.34800  1.0 3.0
   58    63    67    68   0.00000  1.0 1.0
   58    63    67    71   0.09850  1.0 1.0
   58    63    67    71   0.15250 -1.0 2.0
   58    63    67    71  -0.50650  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    67   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    67   0.15000  1.0 3.0
   63    67    71    72   7.00000 -1.0 2.0
   63    67    71    76   7.00000 -1.0 2.0
   64    63    67    68   0.33100  1.0 3.0
   64    63    67    71   0.00000  1.0 1.0
   65    63    67    68   0.33100  1.0 3.0
   65    63    67    71   0.00000  1.0 1.0
   67    71    72    73   0.00000  1.0 1.0
   67    71    72    74   0.00000  1.0 1.0
   67    71    72    75   0.00000  1.0 1.0
   67    71    76    77   0.00000  1.0 1.0
   67    71    76    78   0.00000  1.0 1.0
   67    71    76    79   0.00000  1.0 1.0
   68    67    71    72   7.00000 -1.0 2.0
   68    67    71    76   7.00000 -1.0 2.0
   72    71    76    77   0.34800  1.0 3.0
   72    71    76    78   0.34800  1.0 3.0
   72    71    76    79   0.34800  1.0 3.0
   76    71    72    73   0.34800  1.0 3.0
   76    71    72    74   0.34800  1.0 3.0
   76    71    72    75   0.34800  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    41    38    39  10.50000 -1.0 2.0
   45    66    41    38   4.00000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   52    50    49    45   1.10000 -1.0 2.0
   61    53    52    49   1.10000 -1.0 2.0
   66    62    61    52   1.10000 -1.0 2.0
   61    69    66    41   4.00000 -1.0 2.0
   66    70    69    40   1.10000 -1.0 2.0
   33    42    40    69   1.10000 -1.0 2.0
   42    48    47    51  15.00000 -1.0 2.0
   54    58    51    47  15.00000 -1.0 2.0
   63    68    67    71  15.00000 -1.0 2.0
   72    76    71    67  15.00000 -1.0 2.0
END
