* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    149    216     425
    1     0 S   NP   _N1_     1    28.92166    95.70586   -24.17172
    2     1 S   H    _HN1     2     1.02949    72.50067    17.37110
    3     1 S   H    _H1_     3     1.02828    35.67631  -177.41540
    4     1 S   H    _H2_     4     1.02787   111.22665   -86.03901
    5     1 S   CT   _CA1     5     1.50114   132.40991   119.32583
    6     5 S   HC   _HA1     6     1.09572   105.19092    93.07293
    7     5 S   CO3  _C1_     7     1.53784   112.48050   -27.15475
    8     7 S   O2Z  _O11     8     1.26371   115.00864   -42.25989
    9     7 S   O2Z  _O12     9     1.26240   114.94343   136.87412
   10     5 S   CT   _CB1    10     1.53075   107.41811  -148.94993
   11    10 S   HC   HB11    11     1.09835   109.35537   -49.75112
   12    10 S   HC   HB12    12     1.09813   110.44744    66.84663
   13    10 S   CT   _CG1    13     1.53000   112.62717  -170.73401
   14    13 S   HC   HG11    14     1.09579   110.63944   -65.93562
   15    13 S   HC   HG12    15     1.09668   109.78190    53.31071
   16    13 S   C    _CD1    16     1.51794   112.18862   173.75207
   17    16 S   O    _OE1    17     1.22714   123.22004     7.25750
   18    16 S   N    _N2_    18     1.38613   111.70408  -172.75462
   19    18 S   H    _HN2    19     1.01575   118.88375     1.63279
   20    18 S   CT1  _CA2    20     1.46150   123.54264   177.35137
   21    20 S   HC   _HA2    21     1.09697   109.30861     4.28158
   22    20 S   C    _C2_    22     1.53525   108.79922  -110.59110
   23    22 S   O    _O2_    23     1.23038   122.50163  -145.51078
   24    20 S   CT   _CB2    32     1.53372   111.48571   126.17988
   25    24 S   HC   HB21    33     1.09480   110.25699    50.07665
   26    24 S   HC   HB22    34     1.09048   109.42875   169.01128
   27    22 S   N    _N3_    24     1.38328   113.52232    42.49450
   28    27 S   H    _HN3    25     1.01582   119.65980    -4.00179
   29    24 S   S    _SG2    35     1.82969   110.60233   -70.82261
   30    27 S   CT   _CA3    26     1.45253   123.14730   175.93644
   31    30 S   HC   HA31    27     1.09561   107.69268   -58.96898
   32    30 S   HC   HA32    28     1.09548   107.78627    57.45355
   33    29 S   CT   _C14    36     1.86776   102.13642  -166.72730
   34    30 S   CO3  _C3_    29     1.52927   114.04377   179.27828
   35    34 S   O2Z  _O31    30     1.26374   116.04948    -1.57508
   36    34 S   O2Z  _O32    31     1.26417   114.41890   178.48522
   37    33 S   CT   _C15    37     1.54142   104.81718   176.57429
   38    37 S   HC   _H18    38     1.09623   112.26427   -55.81027
   39    37 S   HC   _H19    39     1.09678   111.65802    65.12421
   40    37 S   HC   _H20    40     1.09589   111.14530  -175.18590
   41    33 S   CT   _C16    41     1.54591   107.62486   -65.96988
   42    41 S   HC   _H21    42     1.09746   110.65239    65.15204
   43    41 S   HC   _H22    43     1.09905   110.51396   -52.14217
   44    33 S   CT   _C13    47     1.55447   112.86776    56.97474
   45    44 S   HC   _H16    48     1.09736   109.50833   -71.47081
   46    44 S   HC   _H17    49     1.09896   108.64281   174.57249
   47    41 S   CO3  _C17    44     1.53282   114.91044  -173.69818
   48    47 S   O2Z  _O35    45     1.26307   115.13318   -90.61122
   49    47 S   O2Z  _O34    46     1.26301   115.15689    90.59504
   50    44 S   CT   _C12    50     1.53656   116.51595    53.40311
   51    50 S   HC   _H14    51     1.09071   111.80117   -50.19976
   52    50 S   HC   _H15    52     1.09638   109.94024    66.94601
   53    50 S   CM   _C11    53     1.50511   110.77053  -173.95954
   54    53 S   HC   _H13    54     1.08940   114.08835   -78.59187
   55    53 S   CM   _C10    55     1.34833   127.60437   101.30351
   56    55 S   CT   _C18    56     1.50744   119.84183  -179.14225
   57    56 S   HC   _H23    57     1.09496   110.30647   124.05661
   58    56 S   HC   _H24    58     1.09428   110.62522  -115.70654
   59    56 S   HC   _H25    59     1.09532   112.31147     4.33413
   60    55 S   CT   _C9_    60     1.51439   124.66902    -2.01810
   61    60 S   HC   _H11    61     1.09814   108.59365  -122.52823
   62    60 S   HC   _H12    62     1.09317   111.50077    -7.41603
   63    60 S   CT   _C8_    63     1.53255   113.25954   115.65163
   64    63 S   HC   _H9_    64     1.09665   109.54482    66.29869
   65    63 S   HC   _H10    65     1.09439   109.77072   -50.50087
   66    63 S   C3T  _C7_    66     1.49941   111.06016  -174.45649
   67    66 S   HC   _H3_    67     1.08354   112.70733   -45.95199
   68    66 S   C3T  _C6_    68     1.52596   124.84042   112.83694
   69    66 S   O3T  _O33    69     1.43606   113.49659   179.09453
   70    68 S   CT   _C19    70     1.50042   118.34117  -161.53379
   71    70 S   HC   _H26    71     1.09482   110.57370  -142.65757
   72    70 S   HC   _H27    72     1.09358   110.58279    97.43149
   73    70 S   HC   _H28    73     1.09523   111.84286   -22.67999
   74    68 S   CT   _C5_    74     1.50679   122.65856    -0.03956
   75    74 S   HC   _H7_    75     1.09579   111.12379    38.95460
   76    74 S   HC   _H8_    76     1.09678   109.30112   155.29188
   77    74 S   CT   _C4_    77     1.51912   112.20257   -83.56422
   78    77 S   HC   _H4_    78     1.09371   111.18413   -62.36882
   79    77 S   HC   _H5_    79     1.09435   110.34148   177.90931
   80    77 S   HC   _H6_    80     1.09295   111.15872    57.82021
  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  13   5   4   3
  17   2   1   1  11   4   3   2   9   5   4   9   5   4   2   1
   1   7   4   3  10   3  11   7   3   2   1   9   5   4   8   5
   4  11   4  12   8   7   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    47    44    45    46    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    47    48    49    44    45    46    50    51    52    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    50  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    47    48    49    44    45    46    50  
   43    47    48    49    44  
   47    48    49    44  
   45    46    50    51    52    53    54    55    47  
   46    50    51    52    53  
   50    51    52    53  
   48    49  
   49  
    0  
   51    52    53    54    55    56    60  
   52    53    54    55  
   53    54    55  
   54    55    56    57    58    59    60    61    62    63  
   55    56    60  
   56    57    58    59    60    61    62    63    64    65    66  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    74  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    73    74    75    76    77  
   68    69    70    74  
   69    70    71    72    73    74    75    76    77    78    79    80  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77    78    79    80  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   69   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   656.000  1.250
   47    49   656.000  1.250
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   317.000  1.510
   53    54   340.000  1.080
   53    55   549.000  1.340
   55    56   317.000  1.510
   55    60   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   275.000  1.510
   66    67   340.000  1.088
   66    68   260.000  1.509
   66    69   335.000  1.432
   68    69   335.000  1.432
   68    70   275.000  1.510
   68    74   275.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    70.00000  109.69300
   33    44    45    37.50000  110.70000
   33    44    46    37.50000  110.70000
   33    44    50    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    47    48    70.00000  117.00000
   41    47    49    70.00000  117.00000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   49    47    48    80.00000  126.00000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    70.00000  112.02700
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    53    54    35.00000  117.00000
   50    53    55    70.00000  124.00000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    55    56    70.00000  124.00000
   53    55    60    70.00000  124.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   55    56    59    35.00000  109.50000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    55    56    65.00000  117.92700
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    70.00000  112.37300
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    40.00000  115.04500
   63    66    68    60.00000  120.94000
   63    66    69    80.00000  116.47100
   65    63    64    33.00000  107.80000
   66    63    64    45.00000  109.38400
   66    63    65    45.00000  109.38400
   66    68    69    15.00000   60.43100
   66    68    70    60.00000  120.94000
   66    68    74    60.00000  120.94000
   66    69    68    15.00000   59.14900
   68    66    67    37.50000  117.20000
   68    70    71    45.00000  109.38400
   68    70    72    45.00000  109.38400
   68    70    73    45.00000  109.38400
   68    74    75    45.00000  109.38400
   68    74    76    45.00000  109.38400
   68    74    77    70.00000  112.37300
   69    66    67    50.00000  114.27700
   69    66    68    15.00000   60.43100
   70    68    69    80.00000  116.47100
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    68    69    80.00000  116.47100
   74    68    70    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    46   0.15000  1.0 3.0
   29    33    44    50   0.44750  1.0 1.0
   29    33    44    50  -0.17800 -1.0 2.0
   29    33    44    50   0.20200  1.0 3.0
   33    41    47    48   0.41150 -1.0 2.0
   33    41    47    49   0.41150 -1.0 2.0
   33    44    50    51   0.15000  1.0 3.0
   33    44    50    52   0.15000  1.0 3.0
   33    44    50    53   0.34400  1.0 1.0
   33    44    50    53   0.09450 -1.0 2.0
   33    44    50    53   0.11100  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    47  -1.63150  1.0 1.0
   37    33    41    47  -0.43550 -1.0 2.0
   37    33    41    47   0.24500  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    46   0.15000  1.0 3.0
   37    33    44    50   0.56750  1.0 1.0
   37    33    44    50  -0.07550 -1.0 2.0
   37    33    44    50   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    46   0.15000  1.0 3.0
   41    33    44    50   0.56750  1.0 1.0
   41    33    44    50  -0.07550 -1.0 2.0
   41    33    44    50   0.20000  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   43    41    47    48   0.00000  1.0 1.0
   43    41    47    49   0.00000  1.0 1.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    47  -1.63150  1.0 1.0
   44    33    41    47  -0.43550 -1.0 2.0
   44    33    41    47   0.24500  1.0 3.0
   44    50    53    54   0.00000  1.0 1.0
   44    50    53    55   0.09850  1.0 1.0
   44    50    53    55   0.15250 -1.0 2.0
   44    50    53    55  -0.50650  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    53   0.15000  1.0 3.0
   50    53    55    56   7.00000 -1.0 2.0
   50    53    55    60   7.00000 -1.0 2.0
   51    50    53    54   0.33100  1.0 3.0
   51    50    53    55   0.00000  1.0 1.0
   52    50    53    54   0.33100  1.0 3.0
   52    50    53    55   0.00000  1.0 1.0
   53    55    56    57   0.00000  1.0 1.0
   53    55    56    58   0.00000  1.0 1.0
   53    55    56    59   0.00000  1.0 1.0
   53    55    60    61   0.00000  1.0 1.0
   53    55    60    62   0.00000  1.0 1.0
   53    55    60    63   0.09850  1.0 1.0
   53    55    60    63   0.15250 -1.0 2.0
   53    55    60    63  -0.50650  1.0 3.0
   54    53    55    56   7.00000 -1.0 2.0
   54    53    55    60   7.00000 -1.0 2.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.15000  1.0 3.0
   55    60    63    66   0.34400  1.0 1.0
   55    60    63    66   0.09450 -1.0 2.0
   55    60    63    66   0.11100  1.0 3.0
   56    55    60    61   0.34800  1.0 3.0
   56    55    60    62   0.34800  1.0 3.0
   56    55    60    63   0.46850  1.0 1.0
   56    55    60    63   0.08550 -1.0 2.0
   56    55    60    63   0.09800  1.0 3.0
   60    55    56    57   0.34800  1.0 3.0
   60    55    56    58   0.34800  1.0 3.0
   60    55    56    59   0.34800  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.07850  1.0 1.0
   60    63    66    68  -0.03950 -1.0 2.0
   60    63    66    68   0.67350  1.0 3.0
   60    63    66    69   0.02550  1.0 1.0
   60    63    66    69  -0.02600 -1.0 2.0
   60    63    66    69   1.20400  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66   -68    69   0.02550  1.0 1.0
   63    66   -68    69  -0.02600 -1.0 2.0
   63    66   -68    69   1.20400  1.0 3.0
   63    66    68    70   0.56750  1.0 1.0
   63    66    68    70  -0.07550 -1.0 2.0
   63    66    68    70   0.20000  1.0 3.0
   63    66    68    74   0.56750  1.0 1.0
   63    66    68    74  -0.07550 -1.0 2.0
   63    66    68    74   0.20000  1.0 3.0
   63    66   -69    68   0.06250  1.0 1.0
   63    66   -69    68  -0.01100 -1.0 2.0
   63    66   -69    68   0.28050  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.23400  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.23400  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    73   0.15000  1.0 3.0
   66    68    74    75   0.15000  1.0 3.0
   66    68    74    76   0.15000  1.0 3.0
   66    68    74    77   0.07850  1.0 1.0
   66    68    74    77  -0.03950 -1.0 2.0
   66    68    74    77   0.67350  1.0 3.0
   67    66   -68    69   0.23400  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    74   0.15000  1.0 3.0
   67    66   -69    68   0.36800  1.0 3.0
   68    74    77    78   0.15000  1.0 3.0
   68    74    77    79   0.15000  1.0 3.0
   68    74    77    80   0.15000  1.0 3.0
   69    66   -68    70   0.02550  1.0 1.0
   69    66   -68    70  -0.02600 -1.0 2.0
   69    66   -68    70   1.20400  1.0 3.0
   69    66   -68    74   0.02550  1.0 1.0
   69    66   -68    74  -0.02600 -1.0 2.0
   69    66   -68    74   1.20400  1.0 3.0
   69    68    70    71   0.23400  1.0 3.0
   69    68    70    72   0.23400  1.0 3.0
   69    68    70    73   0.23400  1.0 3.0
   69    68    74    75   0.23400  1.0 3.0
   69    68    74    76   0.23400  1.0 3.0
   69    68    74    77   0.02550  1.0 1.0
   69    68    74    77  -0.02600 -1.0 2.0
   69    68    74    77   1.20400  1.0 3.0
   70    68   -69    66   0.06250  1.0 1.0
   70    68   -69    66  -0.01100 -1.0 2.0
   70    68   -69    66   0.28050  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    77   0.56750  1.0 1.0
   70    68    74    77  -0.07550 -1.0 2.0
   70    68    74    77   0.20000  1.0 3.0
   74    68   -69    66   0.06250  1.0 1.0
   74    68   -69    66  -0.01100 -1.0 2.0
   74    68   -69    66   0.28050  1.0 3.0
   74    68    70    71   0.15000  1.0 3.0
   74    68    70    72   0.15000  1.0 3.0
   74    68    70    73   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   48    41    47    49  10.50000 -1.0 2.0
   50    54    53    55  15.00000 -1.0 2.0
   56    60    55    53  15.00000 -1.0 2.0
END
