* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    153    245     449
    1     0 S   NP   _N1_     1    28.67074    96.21963   -23.33876
    2     1 S   H    _HN1     2     1.02950    73.84752    17.20896
    3     1 S   H    _H1_     3     1.02828    37.28580   169.46483
    4     1 S   H    _H2_     4     1.02784   103.29786   -88.37117
    5     1 S   CT   _CA1     5     1.50112   139.79220   119.88042
    6     5 S   HC   _HA1     6     1.09573   105.19900    88.78017
    7     5 S   CO3  _C1_     7     1.53791   112.46323   -31.45292
    8     7 S   O2Z  _O11     8     1.26371   115.00615   -42.48333
    9     7 S   O2Z  _O12     9     1.26242   114.94721   136.66170
   10     5 S   CT   _CB1    10     1.53081   107.42034  -153.23977
   11    10 S   HC   HB11    11     1.09831   109.37365   -49.80531
   12    10 S   HC   HB12    12     1.09813   110.44444    66.80362
   13    10 S   CT   _CG1    13     1.52984   112.60211  -170.79538
   14    13 S   HC   HG11    14     1.09584   110.60602   -65.42182
   15    13 S   HC   HG12    15     1.09670   109.80839    53.80640
   16    13 S   C    _CD1    16     1.51799   112.26315   174.24974
   17    16 S   O    _OE1    17     1.22726   123.30573     5.79995
   18    16 S   N    _N2_    18     1.38659   111.64154  -174.27543
   19    18 S   H    _HN2    19     1.01580   118.91604     1.85435
   20    18 S   CT1  _CA2    20     1.46188   123.38830   177.68125
   21    20 S   HC   _HA2    21     1.09737   109.38421     1.61653
   22    20 S   C    _C2_    22     1.53536   108.54737  -113.85770
   23    22 S   O    _O2_    23     1.23055   122.27925  -147.60070
   24    20 S   CT   _CB2    32     1.53372   111.60551   123.65145
   25    24 S   HC   HB21    33     1.09580   110.02711    56.01450
   26    24 S   HC   HB22    34     1.09399   109.95503   175.01438
   27    22 S   N    _N3_    24     1.38327   113.67874    39.81960
   28    27 S   H    _HN3    25     1.01593   119.58654    -3.33231
   29    24 S   S    _SG2    35     1.82815   111.45255   -64.84334
   30    27 S   CT   _CA3    26     1.45291   123.21061   177.12145
   31    30 S   HC   HA31    27     1.09549   107.50744   -64.60084
   32    30 S   HC   HA32    28     1.09556   107.98701    51.83702
   33    29 S   CT   _C19    36     1.84583    99.98199   174.05842
   34    33 S   HC   _H5_    37     1.09774   104.80123   -42.17813
   35    30 S   CO3  _C3_    29     1.52960   114.07927   173.83261
   36    35 S   O2Z  _O31    30     1.26376   116.06156    -0.78634
   37    35 S   O2Z  _O32    31     1.26427   114.41535   179.27692
   38    33 S   CT   _C18    38     1.53407   111.29436    75.62434
   39    38 S   HC   _H4_    39     1.09469   111.76286   -46.62239
   40    38 S   CT   _C17    40     1.52710   111.87987    75.99078
   41    40 S   HC   _H19    41     1.09563   109.75165   -65.49563
   42    40 S   HC   _H20    42     1.09791   109.36188   178.06467
   43    38 S   OH   _O37    77     1.42993   109.20971  -163.77477
   44    43 S   HO   _H22    78     0.97268   107.61946    63.99367
   45    40 S   CT   _C16    43     1.53366   110.98049    58.68081
   46    45 S   HC   _H3_    44     1.10037   106.51357    68.95792
   47    45 S   CT   _C12    45     1.54342   115.05741   -55.00167
   48    45 S   NT   _N4_    56     1.48165   111.35161  -170.56899
   49    47 S   CA   _C7_    46     1.55613   106.59331   169.08622
   50    48 S   CT   _C14    57     1.47923   105.45837    82.13435
   51    50 S   HC   _H15    58     1.09656   108.96236   -93.24097
   52    50 S   HC   _H16    59     1.09626   113.12966   148.96152
   53    33 S   CT   _C20    73     1.55719   113.55674  -156.88315
   54    53 S   HC   _H6_    74     1.09930   105.32911   156.87011
   55    49 S   CA   _C8_    47     1.40028   123.04403  -147.92586
   56    55 S   HA   _H10    48     1.08256   122.67157     1.30686
   57    47 S   CT   _C13    60     1.54174   102.48672   -79.86611
   58    57 S   HC   _H13    61     1.09655   112.73700  -146.60885
   59    57 S   HC   _H14    62     1.09118   112.69076    92.20041
   60    53 S   OH   _O36    75     1.43061   109.86181    43.00816
   61    60 S   HO   _H21    76     0.97226   107.86162    46.39868
   62    55 S   CA   _C9_    49     1.38112   118.48979  -178.41637
   63    62 S   CA   _C10    50     1.37859   122.79424     0.27268
   64    63 S   CA   _C5_    51     1.38363   121.20974     0.09891
   65    63 S   OS   _O34    68     1.36283   111.04818  -179.94065
   66    49 S   CA   _C6_    52     1.43151   118.10985    34.57287
   67    64 S   OS   _O33    63     1.36672   127.13337  -179.67076
   68    65 S   CO   _C11    69     1.43796   102.02023    -0.09487
   69    68 S   HC   _H11    70     1.09601   108.72428  -120.89266
   70    68 S   HC   _H12    71     1.09601   108.72351   120.96749
   71    66 S   CT   _C15    53     1.52352   119.03614    -3.02783
   72    71 S   HC   _H17    54     1.09726   110.05363   131.09923
   73    71 S   HC   _H18    55     1.09799   107.82370  -113.03959
   74    67 S   CT   _C4_    64     1.41997   118.45511     0.18131
   75    74 S   HC   _H7_    65     1.09449   107.62452   179.78239
   76    74 S   HC   _H8_    66     1.09455   111.22382    62.42296
   77    74 S   HC   _H9_    67     1.09453   111.20426   -62.87411
   78    62 S   OS   _O35    72     1.36341   124.33134  -179.80719
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  13   7  13   6   5   3   1  18   7  18  13
  18  10   5   4   8   3  10   4   5   1   1   1   1   9  10  12
   6   5   5   3   2   1   2   1   1   3   2   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    53    54    60    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    47    49    57    53    54    60    61    43    44  
   38    39    40    47    53    54    60    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    53    54    60    43    44  
   40    41    42    45    53    43    44  
   41    42    45    46    47    49    71    48    50    57    53    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    53  
    0  
   46    47    49    55    66    71    72    73    48    50    51    52    57    58    59    53    54    60  
   47    49    71    48    50    57    53  
   49    55    56    62    64    66    71    48    50    51    52    57    58    59    53    54    60    61  
   50    51    52    57    58    59    53    49    64    66    71    72    73  
   55    56    62    63    64    66    71    72    73    50    57    58    59    67    78    53    54    60  
   51    52    57    58    59    53    66    71    72    73  
   52    57    58    59    71  
   57    58    59    71  
   54    60    61    55    57    58    59    66  
   60    61    57  
   56    62    63    64    66    71    57    65    68    78  
   62    63    66    78  
   58    59    60    66    71  
   59  
    0  
   61  
    0  
   63    64    66    67    65    68    69    70    78  
   64    66    71    67    74    65    68    69    70    78  
   66    71    72    73    67    74    75    76    77    65    68    78  
   68    69    70    78    66    67  
   71    72    73    67    74  
   74    75    76    77    71  
   69    70    78  
   70    78  
   78  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   382.000  1.448
   47    49   317.000  1.510
   47    57   268.000  1.529
   47    53   268.000  1.529
   49    55   469.000  1.400
   49    66   469.000  1.400
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    63   469.000  1.400
   62    78   450.000  1.364
   63    64   469.000  1.400
   63    65   450.000  1.364
   64    66   469.000  1.400
   64    67   450.000  1.364
   66    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    48   382.000  1.448
   48    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   67    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    68   320.000  1.380
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   320.000  1.380
   53    54   340.000  1.090
   53    60   320.000  1.410
   60    61   553.000  0.945
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    53    47    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    58.35000  112.70000
   40    45    48    56.20000  109.47000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    47    49    70.00000  112.17500
   45    47    57    58.35000  112.70000
   45    47    53    58.35000  112.70000
   45    48    71    51.80000  107.20000
   45    48    50    51.80000  107.20000
   47    45    46    37.50000  110.70000
   47    49    55    70.00000  120.00000
   47    49    66    70.00000  120.00000
   47    57    50    58.35000  112.70000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    60    50.00000  109.50000
   49    55    56    35.00000  120.00000
   49    55    62    63.00000  120.00000
   49    66    64    63.00000  120.00000
   49    66    71    70.00000  120.00000
   55    62    63    63.00000  120.00000
   55    62    78    70.00000  120.00000
   62    55    56    35.00000  120.00000
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    78    68   100.00000  112.36700
   63    64    66    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    65    68   100.00000  112.36700
   64    66    71    70.00000  120.00000
   64    67    74    75.00000  111.00000
   66    49    55    63.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    48    75.00000  112.33000
   71    48    50    51.80000  107.20000
   73    71    72    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    56.20000  109.47000
   48    71    72    35.00000  109.50000
   48    71    73    35.00000  109.50000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    57    56.20000  109.47000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    47    49    70.00000  112.17500
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   67    64    66    70.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    78    92.60000  111.55000
   70    68    69    33.00000  109.50000
   78    62    63    70.00000  120.00000
   78    68    69    35.00000  109.50000
   78    68    70    35.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    49    70.00000  112.17500
   53    47    57    58.35000  112.70000
   53    60    61    55.00000  108.50000
   60    53    54    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    60   0.56750  1.0 1.0
   29    33    53    60  -0.07550 -1.0 2.0
   29    33    53    60   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    53    60    61  -0.11600  1.0 1.0
   33    53    60    61  -0.09450 -1.0 2.0
   33    53    60    61   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    53    47   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    60   0.23400  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    60   0.86500  1.0 1.0
   38    33    53    60  -0.17500 -1.0 2.0
   38    33    53    60   0.20800  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    47   0.56750  1.0 1.0
   38    40   -45    47  -0.07550 -1.0 2.0
   38    40   -45    47   0.20000  1.0 3.0
   38    40    45    48   1.53400  1.0 1.0
   38    40    45    48  -0.09950 -1.0 2.0
   38    40    45    48   0.05700  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    47    49  -0.03700  1.0 1.0
   40    45    47    49   0.37200 -1.0 2.0
   40    45    47    49  -0.47300  1.0 3.0
   40    45    47    57   0.56750  1.0 1.0
   40    45    47    57  -0.07550 -1.0 2.0
   40    45    47    57   0.20000  1.0 3.0
   40    45    47    53   0.56750  1.0 1.0
   40    45    47    53  -0.07550 -1.0 2.0
   40    45    47    53   0.20000  1.0 3.0
   40    45    48    71   0.23450  1.0 1.0
   40    45    48    71   0.02050 -1.0 2.0
   40    45    48    71   0.25250  1.0 3.0
   40    45    48    50   0.23450  1.0 1.0
   40    45    48    50   0.02050 -1.0 2.0
   40    45    48    50   0.25250  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   45    47    49    55   0.04150 -1.0 2.0
   45    47    49    66   0.04150 -1.0 2.0
   45    47   -57    50   0.56750  1.0 1.0
   45    47   -57    50  -0.07550 -1.0 2.0
   45    47   -57    50   0.20000  1.0 3.0
   45    47    57    58   0.15000  1.0 3.0
   45    47    57    59   0.15000  1.0 3.0
   45    47   -53    33   0.56750  1.0 1.0
   45    47   -53    33  -0.07550 -1.0 2.0
   45    47   -53    33   0.20000  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    60   0.86500  1.0 1.0
   45    47    53    60  -0.17500 -1.0 2.0
   45    47    53    60   0.20800  1.0 3.0
   45    48    50    51   0.28000  1.0 3.0
   45    48    50    52   0.28000  1.0 3.0
   45    48   -50    57   0.23450  1.0 1.0
   45    48   -50    57   0.02050 -1.0 2.0
   45    48   -50    57   0.25250  1.0 3.0
   46    45    47    49   0.43200  1.0 3.0
   46    45    47    57   0.15000  1.0 3.0
   46    45    47    53   0.15000  1.0 3.0
   46    45    48    71   0.28000  1.0 3.0
   46    45    48    50   0.28000  1.0 3.0
   47    45    48    71   0.23450  1.0 1.0
   47    45    48    71   0.02050 -1.0 2.0
   47    45    48    71   0.25250  1.0 3.0
   47    45   -48    50   0.23450  1.0 1.0
   47    45   -48    50   0.02050 -1.0 2.0
   47    45   -48    50   0.25250  1.0 3.0
   47    49    55    56   3.62500 -1.0 2.0
   47    49    55    62   3.62500 -1.0 2.0
   47    49    66    64   3.62500 -1.0 2.0
   47    49   -66    71   3.62500 -1.0 2.0
   47    53    60    61  -0.11600  1.0 1.0
   47    53    60    61  -0.09450 -1.0 2.0
   47    53    60    61   0.21250  1.0 3.0
   49    47    57    50  -0.03700  1.0 1.0
   49    47    57    50   0.37200 -1.0 2.0
   49    47    57    50  -0.47300  1.0 3.0
   49    47    57    58   0.43200  1.0 3.0
   49    47    57    59   0.43200  1.0 3.0
   49    47    53    33  -0.03700  1.0 1.0
   49    47    53    33   0.37200 -1.0 2.0
   49    47    53    33  -0.47300  1.0 3.0
   49    47    53    54   0.43200  1.0 3.0
   49    47    53    60   1.13150  1.0 1.0
   49    47    53    60  -1.01400 -1.0 2.0
   49    55    62    63   3.62500 -1.0 2.0
   49    55    62    78   3.62500 -1.0 2.0
   49    66    71    72   0.00000  1.0 1.0
   49    66    71    73   0.00000  1.0 1.0
   49    66    71    48   0.18550 -1.0 2.0
   49    66    71    48   0.14000  1.0 3.0
   55    49    66    64   3.62500 -1.0 2.0
   55    49    66    71   3.62500 -1.0 2.0
   55    62   -63    64   3.62500 -1.0 2.0
   55    62    63    65   3.62500 -1.0 2.0
   55    62    78    68   1.63200 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    62    78   3.62500 -1.0 2.0
   62    63    64    66   3.62500 -1.0 2.0
   62    63    64    67   3.62500 -1.0 2.0
   62    63   -65    68   1.63200 -1.0 2.0
   63    62   -78    68   1.63200 -1.0 2.0
   63    64   -66    49   3.62500 -1.0 2.0
   63    64    66    71   3.62500 -1.0 2.0
   63    64    67    74   1.63200 -1.0 2.0
   63    65    68    69   0.08050  1.0 3.0
   63    65    68    70   0.08050  1.0 3.0
   63    65   -68    78  -0.25600  1.0 1.0
   63    65   -68    78  -0.40050 -1.0 2.0
   63    65   -68    78   0.34700  1.0 3.0
   64    63    65    68   1.63200 -1.0 2.0
   64    66    71    72   0.00000  1.0 1.0
   64    66    71    73   0.00000  1.0 1.0
   64    66    71    48   0.18550 -1.0 2.0
   64    66    71    48   0.14000  1.0 3.0
   64    67    74    75   0.08050  1.0 3.0
   64    67    74    76   0.08050  1.0 3.0
   64    67    74    77   0.08050  1.0 3.0
   66    49    55    56   3.62500 -1.0 2.0
   66    49   -55    62   3.62500 -1.0 2.0
   66    64    67    74   1.63200 -1.0 2.0
   66    71   -48    45   0.82600  1.0 1.0
   66    71   -48    45  -0.32100 -1.0 2.0
   66    71   -48    45   1.02000  1.0 3.0
   66    71    48    50   0.82600  1.0 1.0
   66    71    48    50  -0.32100 -1.0 2.0
   66    71    48    50   1.02000  1.0 3.0
   71    48    50    51   0.28000  1.0 3.0
   71    48    50    52   0.28000  1.0 3.0
   71    48    50    57   0.23450  1.0 1.0
   71    48    50    57   0.02050 -1.0 2.0
   71    48    50    57   0.25250  1.0 3.0
   72    71    48    45   0.28000  1.0 3.0
   72    71    48    50   0.28000  1.0 3.0
   73    71    48    45   0.28000  1.0 3.0
   73    71    48    50   0.28000  1.0 3.0
   48    45   -47    49   0.83750  1.0 1.0
   48    45   -47    49   0.32200 -1.0 2.0
   48    45   -47    49   0.70600  1.0 3.0
   48    45   -47    57   1.53400  1.0 1.0
   48    45   -47    57  -0.09950 -1.0 2.0
   48    45   -47    57   0.05700  1.0 3.0
   48    45    47    53   1.53400  1.0 1.0
   48    45    47    53  -0.09950 -1.0 2.0
   48    45    47    53   0.05700  1.0 3.0
   48    50   -57    47   1.53400  1.0 1.0
   48    50   -57    47  -0.09950 -1.0 2.0
   48    50   -57    47   0.05700  1.0 3.0
   48    50    57    58   0.15000  1.0 3.0
   48    50    57    59   0.15000  1.0 3.0
   51    50    57    47   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
   52    50    57    47   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   57    47    49    55   0.04150 -1.0 2.0
   57    47    49    66   0.04150 -1.0 2.0
   57    47    53    33   0.56750  1.0 1.0
   57    47    53    33  -0.07550 -1.0 2.0
   57    47    53    33   0.20000  1.0 3.0
   57    47    53    54   0.15000  1.0 3.0
   57    47    53    60   0.86500  1.0 1.0
   57    47    53    60  -0.17500 -1.0 2.0
   57    47    53    60   0.20800  1.0 3.0
   67    64    66    49   3.62500 -1.0 2.0
   67    64    66    71   3.62500 -1.0 2.0
   65    63    64    66   3.62500 -1.0 2.0
   65    63    64    67   3.62500 -1.0 2.0
   65    68   -78    62  -0.25600  1.0 1.0
   65    68   -78    62  -0.40050 -1.0 2.0
   65    68   -78    62   0.34700  1.0 3.0
   69    68    78    62   0.08050  1.0 3.0
   70    68    78    62   0.08050  1.0 3.0
   78    62    63    64   3.62500 -1.0 2.0
   78    62   -63    65   3.62500 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.56750  1.0 1.0
   53    33   -38    40  -0.07550 -1.0 2.0
   53    33   -38    40   0.20000  1.0 3.0
   53    33    38    43   0.86500  1.0 1.0
   53    33    38    43  -0.17500 -1.0 2.0
   53    33    38    43   0.20800  1.0 3.0
   53    47    49    55   0.04150 -1.0 2.0
   53    47    49    66   0.04150 -1.0 2.0
   53    47    57    50   0.56750  1.0 1.0
   53    47    57    50  -0.07550 -1.0 2.0
   53    47    57    50   0.20000  1.0 3.0
   53    47    57    58   0.15000  1.0 3.0
   53    47    57    59   0.15000  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   0.20800  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
   55    66    49    47   4.00000 -1.0 2.0
   62    56    55    49   1.10000 -1.0 2.0
   63    78    62    55   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   66    67    64    63   4.00000 -1.0 2.0
   64    71    66    49   4.00000 -1.0 2.0
END
