* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    145    218     409
    1     0 S   NP   _N1_     1    28.58897    99.19534   -19.69358
    2     1 S   H    _HN1     2     1.02958    61.51847     8.74954
    3     1 S   H    _H1_     3     1.02835    59.02186   144.37364
    4     1 S   H    _H2_     4     1.02776    88.06844  -103.36691
    5     1 S   CT   _CA1     5     1.50132   159.64977    79.90030
    6     5 S   HC   _HA1     6     1.09576   105.21052   114.99277
    7     5 S   CO3  _C1_     7     1.53781   112.36313    -5.18338
    8     7 S   O2Z  _O11     8     1.26364   114.99560   -43.83950
    9     7 S   O2Z  _O12     9     1.26235   114.92800   135.23740
   10     5 S   CT   _CB1    10     1.53094   107.41801  -127.11043
   11    10 S   HC   HB11    11     1.09827   109.31307   -50.55896
   12    10 S   HC   HB12    12     1.09816   110.43269    65.99026
   13    10 S   CT   _CG1    13     1.53019   112.68203  -171.63423
   14    13 S   HC   HG11    14     1.09595   110.49041   -64.65886
   15    13 S   HC   HG12    15     1.09658   109.91794    54.54284
   16    13 S   C    _CD1    16     1.51848   112.31427   174.89278
   17    16 S   O    _OE1    17     1.22747   123.28213     0.44146
   18    16 S   N    _N2_    18     1.38559   111.70571  -179.55501
   19    18 S   H    _HN2    19     1.01556   118.98837     4.62139
   20    18 S   CT1  _CA2    20     1.45884   122.90135   177.70203
   21    20 S   HC   _HA2    21     1.09711   109.02629    23.09021
   22    20 S   C    _C2_    22     1.52867   106.63654   -94.17785
   23    22 S   O    _O2_    23     1.23007   122.86920   -30.94835
   24    20 S   CT   _CB2    32     1.53304   112.13998   146.38762
   25    24 S   HC   HB21    33     1.09365   109.60276    54.95071
   26    24 S   HC   HB22    34     1.09456   109.67342   173.60864
   27    22 S   N    _N3_    24     1.38456   112.73201   151.78758
   28    27 S   H    _HN3    25     1.01664   120.42552    -1.43395
   29    24 S   S    _SG2    35     1.82791   110.63403   -66.73472
   30    27 S   CT   _CA3    26     1.45368   122.36806   178.72835
   31    30 S   HC   HA31    27     1.09568   107.52385   -62.15138
   32    30 S   HC   HA32    28     1.09573   107.86643    54.14304
   33    29 S   CT   _C6_    36     1.87791   102.78528   167.15772
   34    30 S   CO3  _C3_    29     1.52876   114.44880   176.11788
   35    34 S   O2Z  _O31    30     1.26314   116.10148    -0.93188
   36    34 S   O2Z  _O32    31     1.26456   114.38567   179.13385
   37    33 S   CT   _C7_    37     1.55814   106.79444   -71.82365
   38    37 S   HC   _H11    38     1.09599   111.21685   -53.29415
   39    37 S   HC   _H12    39     1.09473   111.32820    65.53220
   40    33 S   CT   _C5_    73     1.55863   105.34249   169.83616
   41    40 S   HC   _H9_    74     1.09548   111.70499   -52.54297
   42    40 S   HC   _H10    75     1.09504   110.87634  -171.78489
   43    37 S   S    _S1_    40     1.82831   114.36995  -174.03974
   44    40 S   OS   _O33    76     1.43333   110.84301    68.32993
   45    43 S   C4T  _C8_    41     1.83210    97.55903   -56.01894
   46    45 S   HC   _H3_    42     1.09442   114.41514   -83.89726
   47    44 S   CT   _C4_    77     1.42087   111.77388   176.41537
   48    47 S   HC   _H6_    78     1.09319   108.34968   178.00414
   49    47 S   HC   _H7_    79     1.09415   110.66173    58.95149
   50    47 S   HC   _H8_    80     1.09376   110.30121   -63.32759
   51    45 S   C4T  _C9_    43     1.55764   114.67284   140.47774
   52    51 S   HC   _H4_    44     1.09659   113.53529   142.74280
   53    45 S   N4   _N4_    47     1.45994   110.61145    44.41573
   54    51 S   C4   _C10    45     1.55013    85.06147  -104.48005
   55    54 S   O    _O34    46     1.20917   136.21808   170.88387
   56    33 S   CT1  _C11    48     1.55713   111.99202    47.62715
   57    56 S   HC   _H5_    49     1.09966   106.75192   -63.07944
   58    51 S   N    _N5_    53     1.47618   117.27187    10.08278
   59    58 S   H    _H13    54     1.01757   119.17740    -1.01027
   60    56 S   CO3  _C12    50     1.54880   121.50132    55.00490
   61    60 S   O2Z  _O36    51     1.26016   116.74305    18.28416
   62    60 S   O2Z  _O35    52     1.26660   114.25789  -161.39650
   63    58 S   C    _C13    55     1.37800   122.54952  -176.87288
   64    63 S   O    _O37    56     1.22035   128.48031    -4.61312
   65    63 S   CD   _C14    57     1.50592   112.64747   174.06350
   66    65 S   C5B  _C16    58     1.45268   119.42769   -84.09486
   67    65 S   NI   _N6_    67     1.29781   121.80168    95.46348
   68    66 S   C5A  _C17    59     1.38161   125.71250  -179.14111
   69    68 S   HA   _H17    60     1.08109   128.85853     0.32924
   70    67 S   OS   _O38    68     1.40198   111.32189    -0.05234
   71    68 S   SA   _S2_    61     1.71184   110.13095  -179.60883
   72    70 S   CT   _C15    69     1.41974   108.16838   179.61235
   73    72 S   HC   _H14    70     1.09316   108.47183   180.00000
   74    72 S   HC   _H15    71     1.09444   110.33296    60.97582
   75    72 S   HC   _H16    72     1.09443   110.33623   -60.98326
   76    71 S   CRA  _C18    62     1.72273    89.94018    -0.01978
   77    66 S   N5B  _N7_    63     1.38766   119.91402     1.35205
   78    76 S   NE   _N8_    64     1.34632   120.49063  -180.00000
   79    78 S   H    _H18    65     1.01457   121.35076   179.95577
   80    78 S   H    _H19    66     1.01383   122.09431     0.22206
  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  14   5   4  12   4   3   8   5  12   6   3   2
   1   1  10   6   8   7   2   4   3   6   3   2   1   1   7   3
   9   8   7   5   3   4   5   3   2   1   1   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    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    53    56    57    60    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    53    56    57    60    61    62    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    51    53    56    57    60    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    49    50    43    53    56    57    60  
   42    44    47    56  
   44    47    56  
   45    46    51    52    54    53    56    58  
   47    48    49    50    56  
   46    51    52    54    55    53    56    57    60    58    59    63  
   51    52    54    53    56    58  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    53    56    58    59    63    64    65  
   54    55    53    58    59    63  
   56    57    60    61    62    58    54    55  
   55    56    57    60    58    59    63  
   56    58  
   57    60    61    62  
   60    61    62  
   59    63    64    65    66    67  
   63    64    65  
   61    62  
   62  
    0  
   64    65    66    68    77    67    70  
   65    66    67  
   66    68    69    71    76    77    67    70    72  
   68    69    71    76    77    78    67    70  
   70    72    73    74    75    68    77  
   69    71    76    77    78  
   71    76    77  
   72    73    74    75  
   76    77    78    79    80  
   73    74    75  
   74    75  
   75  
    0  
   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   0.047500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   67   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   68   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   72   3.5000   0.0660   0.042500   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   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   77   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   78   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    53   305.000  1.456
   51    52   340.000  1.090
   51    54   250.000  1.540
   51    58   337.000  1.449
   54    55   930.000  1.212
   54    53   440.000  1.369
   53    56   337.000  1.449
   56    57   340.000  1.090
   56    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   58    59   434.000  1.010
   58    63   490.000  1.335
   63    64   570.000  1.229
   63    65   270.000  1.486
   65    66   305.000  1.466
   65    67   500.000  1.261
   66    68   520.000  1.370
   66    77   410.000  1.394
   68    69   367.000  1.080
   68    71   265.000  1.745
   71    76   250.000  1.765
   76    77   488.000  1.335
   76    78   420.000  1.385
   78    79   434.000  1.010
   78    80   434.000  1.010
   67    70   320.000  1.394
   70    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    53    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    60    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    51    65.00000  119.05700
   43    45    53    80.00000  108.62000
   45    51    52    37.50000  110.70000
   45    51    54   100.00000   86.36000
   45    51    58    80.00000  110.05700
   45    53    54   100.00000   93.00000
   45    53    56    50.00000  132.70000
   51    45    46    37.50000  110.70000
   51    54    55    60.00000  136.58000
   51    54    53    95.00000   92.72400
   51    58    59    38.00000  118.40000
   51    58    63    50.00000  121.90000
   54    51    52    40.00000  113.37500
   54    53    56    50.00000  132.10000
   53    45    46    50.00000  112.01000
   53    45    51   105.00000   87.49700
   53    54    55    75.00000  131.60000
   53    56    57    35.00000  109.50000
   53    56    60    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    60    61    70.00000  117.00000
   56    60    62    70.00000  117.00000
   60    56    57    35.00000  109.50000
   62    60    61    80.00000  126.00000
   58    51    52    50.00000  112.01000
   58    51    54    75.00000  110.24000
   58    63    64    80.00000  122.90000
   58    63    65    75.00000  109.57000
   63    58    59    35.00000  119.80000
   63    65    66    75.00000  114.44000
   63    65    67    65.00000  123.79500
   65    63    64    80.00000  120.45000
   65    66    68    60.00000  121.09900
   65    66    77    60.00000  126.00000
   65    67    70   100.00000  109.52600
   66    68    69    35.00000  130.70000
   66    68    71    80.00000  111.29200
   66    77    76    70.00000  110.00000
   68    71    76   120.00000   89.04400
   71    68    69    40.00000  122.38200
   71    76    77    80.00000  114.57700
   71    76    78    70.00000  122.29500
   76    78    79    35.00000  113.50000
   76    78    80    35.00000  113.50000
   77    66    68    70.00000  111.00000
   78    76    77    75.00000  125.31200
   80    78    79    35.00000  109.00000
   67    65    66    65.00000  124.33800
   67    70    72   110.00000  106.71400
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    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
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    60.00000  109.50000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    53   0.71400  1.0 1.0
   29    33    56    53   0.04300 -1.0 2.0
   29    33    56    53   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60  -2.17200  1.0 1.0
   29    33    56    60  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    60    61   0.00000  1.0 1.0
   33    56    60    62   0.00000  1.0 1.0
   33    40    44    47   0.06250  1.0 1.0
   33    40    44    47  -0.01100 -1.0 2.0
   33    40    44    47   0.28050  1.0 3.0
   37    33    56    53   0.42250  1.0 1.0
   37    33    56    53  -0.48100 -1.0 2.0
   37    33    56    53   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60  -0.84850  1.0 1.0
   37    33    56    60  -0.22800 -1.0 2.0
   37    33    56    60   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    51   0.25150  1.0 1.0
   37    43    45    51  -1.17200 -1.0 2.0
   37    43    45    51   0.53050  1.0 3.0
   37    43   -45    53   0.01700  1.0 1.0
   37    43   -45    53  -0.23550 -1.0 2.0
   37    43   -45    53   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    51    52   0.00000  1.0 1.0
   43    45    51    54   0.00000  1.0 1.0
   43    45    51    58   0.00000  1.0 1.0
   43    45   -53    54   0.00000  1.0 1.0
   43    45    53    56   0.00000  1.0 1.0
   45    51    54    55  -0.11250  1.0 1.0
   45    51    54    55   0.11400 -1.0 2.0
   45    51    54    55  -0.28950  1.0 3.0
   45    51   -54    53   3.00000 -1.0 2.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    63  -0.43950  1.0 1.0
   45    51    58    63  -0.08100 -1.0 2.0
   45    51    58    63   0.03350  1.0 3.0
   45    53   -56    33   0.00000  1.0 1.0
   45    53    56    57   0.00000  1.0 1.0
   45    53    56    60   0.00000  1.0 1.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   46    45    51    58   0.15000  1.0 3.0
   46    45   -53    54   0.00000  1.0 1.0
   46    45    53    56   0.00000  1.0 1.0
   51    45   -53    54   0.00000  1.0 1.0
   51    45    53    56   0.00000  1.0 1.0
   51    54   -53    45   3.00000 -1.0 2.0
   51    54   -53    56   3.00000 -1.0 2.0
   51    58    63    64   3.04450 -1.0 2.0
   51    58    63    65   1.49850  1.0 1.0
   51    58    63    65   1.53950 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   54    51    58    59   0.00000  1.0 1.0
   54    51    58    63  -0.42300  1.0 1.0
   54    51    58    63  -0.07000 -1.0 2.0
   54    51    58    63   0.04150  1.0 3.0
   54    53    56    33   0.00000  1.0 1.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    60   0.00000  1.0 1.0
   55    54   -53    45   3.00000 -1.0 2.0
   55    54    53    56   3.00000 -1.0 2.0
   53    45   -51    52   0.15000  1.0 3.0
   53    45   -51    54   3.00000 -1.0 2.0
   53    45    51    58   2.20050  1.0 1.0
   53    45    51    58   0.63450 -1.0 2.0
   53    45    51    58  -0.91300  1.0 3.0
   53    56    60    61   0.00000  1.0 1.0
   53    56    60    62   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.62750  1.0 1.0
   56    33    40    44  -0.30950 -1.0 2.0
   56    33    40    44   0.27300  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51   -54    53   0.00000  1.0 1.0
   58    63    65    66   1.50000 -1.0 2.0
   58    63    65    67   1.50000 -1.0 2.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    65   2.56700 -1.0 2.0
   63    65    66    68   0.30050 -1.0 2.0
   63    65    66    68   0.16600  1.0 3.0
   63    65    66    77   0.30050 -1.0 2.0
   63    65    66    77   0.16600  1.0 3.0
   63    65    67    70   6.00000 -1.0 2.0
   64    63    65    66   1.00000 -1.0 2.0
   64    63    65    67   1.00000 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    71   3.62500 -1.0 2.0
   65    66    77    76   3.62500 -1.0 2.0
   65    67    70    72   1.50000 -1.0 2.0
   66    65    67    70   6.00000 -1.0 2.0
   66    68   -71    76   3.62500 -1.0 2.0
   68    66   -77    76   2.40000 -1.0 2.0
   68    71   -76    77   3.62500 -1.0 2.0
   68    71    76    78   3.62500 -1.0 2.0
   69    68    71    76   3.62500 -1.0 2.0
   71    76   -77    66   3.62500 -1.0 2.0
   71    76    78    79   0.47600 -1.0 2.0
   71    76    78    80   0.47600 -1.0 2.0
   77    66    68    69   3.62500 -1.0 2.0
   77    66   -68    71   3.62500 -1.0 2.0
   77    76    78    79   1.75000 -1.0 2.0
   77    76    78    80   1.75000 -1.0 2.0
   78    76    77    66   3.62500 -1.0 2.0
   67    65    66    68   1.02250 -1.0 2.0
   67    65    66    77   1.02250 -1.0 2.0
   67    70    72    73   0.37500  1.0 3.0
   67    70    72    74   0.37500  1.0 3.0
   67    70    72    75   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    53   0.42250  1.0 1.0
   40    33    56    53  -0.48100 -1.0 2.0
   40    33    56    53   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    60  -0.84850  1.0 1.0
   40    33    56    60  -0.22800 -1.0 2.0
   40    33    56    60   0.29250  1.0 3.0
   40    44    47    48   0.37050  1.0 3.0
   40    44    47    49   0.37050  1.0 3.0
   40    44    47    50   0.37050  1.0 3.0
   41    40    44    47   0.37050  1.0 3.0
   42    40    44    47   0.37050  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
   51    53    54    55  10.50000 -1.0 2.0
   56    54    53    45   1.00000 -1.0 2.0
   61    56    60    62  10.50000 -1.0 2.0
   59    63    58    51   1.00000 -1.0 2.0
   58    65    63    64  10.50000 -1.0 2.0
   63    66    65    67  10.50000 -1.0 2.0
   68    77    66    65   4.00000 -1.0 2.0
   71    69    68    66   1.10000 -1.0 2.0
   77    78    76    71   4.00000 -1.0 2.0
   80    76    78    79   1.00000 -1.0 2.0
END
