* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    223     408
    1     0 S   NP   _N1_     1    28.18570    98.33756   -22.58681
    2     1 S   H    _HN1     2     1.02772   109.05731  -123.65102
    3     1 S   H    _H1_     3     1.02947    67.98097   -20.98838
    4     1 S   H    _H2_     4     1.02830    41.04757   140.71716
    5     1 S   CT   _CA1     5     1.50181   136.43687    75.92843
    6     5 S   HC   _HA1     6     1.09576   105.17603    98.96425
    7     5 S   CO3  _C1_     7     1.53805   111.95585   -21.12412
    8     7 S   O2Z  _O11     8     1.26382   115.00288   -50.42229
    9     7 S   O2Z  _O12     9     1.26204   114.92239   128.06767
   10     5 S   CT   _CB1    10     1.53060   107.32930  -143.25014
   11    10 S   HC   HB11    11     1.09839   109.43649   -49.19382
   12    10 S   HC   HB12    12     1.09806   110.47668    67.37886
   13    10 S   CT   _CG1    13     1.53025   112.62226  -170.08805
   14    13 S   HC   HG11    14     1.09591   110.65525   -64.24752
   15    13 S   HC   HG12    15     1.09657   109.82500    54.97034
   16    13 S   C    _CD1    16     1.51872   111.96046   175.47866
   17    16 S   O    _OE1    17     1.22801   123.24016     8.37785
   18    16 S   N    _N2_    18     1.38431   111.95031  -172.04374
   19    18 S   H    _HN2    19     1.01930   119.13778     1.93047
   20    18 S   CT1  _CA2    20     1.45838   122.85635   179.54630
   21    20 S   HC   _HA2    21     1.09744   108.61924    31.02787
   22    20 S   C    _C2_    22     1.52992   107.55655   -86.16411
   23    22 S   O    _O2_    23     1.22952   123.23433   -25.60135
   24    20 S   CT   _CB2    32     1.53267   111.96429   154.00829
   25    24 S   HC   HB21    33     1.09298   109.34928    56.82445
   26    24 S   HC   HB22    34     1.09504   110.39801   174.97336
   27    22 S   N    _N3_    24     1.38551   112.43228   157.00698
   28    27 S   H    _HN3    25     1.01645   120.33104    -2.15241
   29    24 S   S    _SG2    35     1.82839   110.77715   -65.60048
   30    27 S   CT   _CA3    26     1.45347   122.51316   178.55490
   31    30 S   HC   HA31    27     1.09565   107.81849   -55.72456
   32    30 S   HC   HA32    28     1.09561   107.61073    60.62278
   33    29 S   CT   _C8_    36     1.87425   102.10904   153.44266
   34    30 S   CO3  _C3_    29     1.52896   114.29360  -177.61526
   35    34 S   O2Z  _O31    30     1.26342   116.05369     0.31528
   36    34 S   O2Z  _O32    31     1.26438   114.42008  -179.70926
   37    33 S   CT   _C9_    37     1.55985   104.78742   177.61772
   38    37 S   HC   _H11    38     1.09569   111.29012   -57.23562
   39    37 S   HC   _H12    39     1.09531   111.40615    60.61792
   40    33 S   CT   _C7_    66     1.56513   109.70641    56.63653
   41    40 S   HC   _H9_    67     1.09572   110.13410   -60.90697
   42    40 S   HC   _H10    68     1.09556   109.76740  -176.69417
   43    37 S   S    _S3_    40     1.83030   114.58985  -177.67199
   44    40 S   S    _S2_    69     1.82985   116.51826    62.44429
   45    43 S   C4T  _C10    41     1.82683    96.80037   -57.52988
   46    45 S   HC   _H3_    42     1.09433   114.44973   -81.27397
   47    44 S   CRA  _C6_    70     1.75032   100.86670   175.39836
   48    45 S   C4T  _C11    43     1.55819   115.50824   143.06796
   49    48 S   HC   _H4_    44     1.09634   113.46890   138.00015
   50    45 S   N4   _N6_    47     1.45449   109.70455    47.03263
   51    47 S   N5B  _N5_    71     1.31528   123.16631    19.26967
   52    48 S   C4   _C12    45     1.55254    85.20721  -109.07516
   53    52 S   O    _O33    46     1.20901   136.71923   176.34612
   54    33 S   CT1  _C13    48     1.56703   111.03707   -63.35524
   55    54 S   HC   _H5_    49     1.09838   108.47644    79.80923
   56    48 S   N    _N7_    53     1.47950   116.89990     6.14574
   57    56 S   H    _H13    54     1.01738   118.47994     6.49987
   58    51 S   N5B  _N4_    72     1.38117   112.13333  -179.79442
   59    54 S   CO3  _C14    50     1.55000   116.71404   -39.98359
   60    59 S   O2Z  _O35    51     1.26228   116.13496   -68.38119
   61    59 S   O2Z  _O34    52     1.26577   114.60745   111.82250
   62    56 S   C    _C15    55     1.38482   122.86784  -171.98418
   63    62 S   O    _O36    56     1.22859   124.72419    -1.30146
   64    58 S   CRA  _C5_    73     1.31613   112.06670     0.23490
   65    62 S   CT   _C16    57     1.50952   113.19852   177.21941
   66    65 S   HC   _H14    58     1.09506   109.21416   137.91367
   67    65 S   HC   _H15    59     1.09479   111.90054    18.50808
   68    47 S   SA   _S1_    74     1.71475   122.57359  -160.78390
   69    64 S   CT   _C4_    75     1.48365   125.02220   179.21366
   70    69 S   HC   _H6_    76     1.09453   110.89490   120.08274
   71    69 S   HC   _H7_    77     1.09461   110.82410  -119.02631
   72    69 S   HC   _H8_    78     1.09472   110.47175     0.47929
   73    65 S   NA   _N8_    60     1.44247   110.95502  -102.02312
   74    73 S   CRA  _C17    61     1.35858   128.42619    80.83070
   75    74 S   HA   _H16    62     1.08002   124.55809    -1.88896
   76    74 S   N5B  _N9_    63     1.31363   108.32341   178.04485
   77    76 S   N5B  _N10    64     1.37680   105.78201     0.04423
   78    73 S   N5A  _N11    65     1.34156   121.57671  -101.50609
  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  11   4   3   8   6  12   6   5  10
   6   8   4   7   2   4   3   7   3   6   2   1   1   7   4   5
   8   4   3   4   3   2   1   1   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    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    54    55    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    52    50    54    55    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    50    54    55    59    40    41    42    44  
   39    43    45    54    40  
   43    45    54    40  
   41    42    44    47    51    68    43    50    54    55    59  
   42    44    47    54  
   44    47    54  
   45    46    48    49    52    50    54    56  
   47    51    58    64    68    54  
   46    48    49    52    53    50    54    55    59    56    57    62  
   48    49    52    50    54    56  
   51    58    64    68    69  
   49    52    53    50    54    56    57    62    63    65  
   52    53    50    56    57    62  
   54    55    59    60    61    56    52    53  
   58    64    68    69  
   53    54    55    59    56    57    62  
   54    56  
   55    59    60    61  
   59    60    61  
   57    62    63    65    66    67    73  
   62    63    65  
   64    68    69    70    71    72  
   60    61  
   61  
    0  
   63    65    66    67    73    74    78  
   65    66    67    73  
   68    69    70    71    72  
   66    67    73    74    75    76    77    78  
   67    73    74    78  
   73    74    78  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.047500   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   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5500   0.0700   0.496200   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   52   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5500   0.0700   0.228700   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5600   0.3950  -0.062200   2.0080   1.7800   0.025682759  -1.666211680
   69   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   74   3.5500   0.0700   0.330000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.069600   1.3810   1.2100   0.030040813   0.268726247
   76   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   77   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   78   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
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    54   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    48   268.000  1.529
   45    50   305.000  1.456
   48    49   340.000  1.090
   48    52   250.000  1.540
   48    56   337.000  1.449
   52    53   930.000  1.212
   52    50   440.000  1.369
   50    54   337.000  1.449
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   56    57   434.000  1.010
   56    62   490.000  1.335
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   320.000  1.443
   73    74   477.000  1.343
   73    78   400.000  1.349
   74    75   367.000  1.080
   74    76   488.000  1.335
   76    77   290.000  1.379
   77    78   420.000  1.291
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    51   488.000  1.335
   47    68   250.000  1.765
   51    58   290.000  1.379
   58    64   488.000  1.335
   64    68   250.000  1.765
   64    69   295.000  1.488
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    54    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    54    50    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   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    48    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    48    49    37.50000  110.70000
   45    48    52   100.00000   86.36000
   45    48    56    80.00000  110.05700
   45    50    52   100.00000   93.00000
   45    50    54    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    52    53    60.00000  136.58000
   48    52    50    95.00000   92.72400
   48    56    57    38.00000  118.40000
   48    56    62    50.00000  121.90000
   52    48    49    40.00000  113.37500
   52    50    54    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    48   105.00000   87.49700
   50    52    53    75.00000  131.60000
   50    54    55    35.00000  109.50000
   50    54    59    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    59    60    70.00000  117.00000
   54    59    61    70.00000  117.00000
   59    54    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   56    48    49    50.00000  112.01000
   56    48    52    75.00000  110.24000
   56    62    63    80.00000  122.90000
   56    62    65    70.00000  116.60000
   62    56    57    35.00000  119.80000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    73    75.00000  110.00000
   65    62    63    80.00000  120.40000
   65    73    74    60.00000  127.66100
   65    73    78    75.00000  118.68000
   67    65    66    33.00000  107.80000
   73    65    66    50.00000  108.61900
   73    65    67    50.00000  108.61900
   73    74    75    35.00000  120.00000
   73    74    76    70.00000  120.00000
   73    78    77   110.00000  106.81600
   74    76    77   100.00000  108.10500
   76    74    75    35.00000  120.00000
   76    77    78   100.00000  111.97400
   78    73    74    95.00000  110.06400
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    51    70.00000  126.12900
   44    47    68    70.00000  123.41300
   47    51    58   100.00000  108.10500
   47    68    64   125.00000   85.95600
   51    58    64   100.00000  108.10500
   58    64    68    80.00000  114.57700
   58    64    69    65.00000  125.57700
   64    69    70    45.00000  109.19200
   64    69    71    45.00000  109.19200
   64    69    72    45.00000  109.19200
   68    47    51    80.00000  114.57700
   69    64    68    65.00000  125.49400
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    54    50   0.71400  1.0 1.0
   29    33    54    50   0.04300 -1.0 2.0
   29    33    54    50   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59  -2.17200  1.0 1.0
   29    33    54    59  -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    54    59    60   0.00000  1.0 1.0
   33    54    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    54    50   0.42250  1.0 1.0
   37    33    54    50  -0.48100 -1.0 2.0
   37    33    54    50   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    59  -0.84850  1.0 1.0
   37    33    54    59  -0.22800 -1.0 2.0
   37    33    54    59   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   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   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    48    49   0.00000  1.0 1.0
   43    45    48    52   0.00000  1.0 1.0
   43    45    48    56   0.00000  1.0 1.0
   43    45   -50    52   0.00000  1.0 1.0
   43    45    50    54   0.00000  1.0 1.0
   45    48    52    53  -0.11250  1.0 1.0
   45    48    52    53   0.11400 -1.0 2.0
   45    48    52    53  -0.28950  1.0 3.0
   45    48   -52    50   3.00000 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    62  -0.43950  1.0 1.0
   45    48    56    62  -0.08100 -1.0 2.0
   45    48    56    62   0.03350  1.0 3.0
   45    50   -54    33   0.00000  1.0 1.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    59   0.00000  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45   -50    52   0.00000  1.0 1.0
   46    45    50    54   0.00000  1.0 1.0
   48    45   -50    52   0.00000  1.0 1.0
   48    45    50    54   0.00000  1.0 1.0
   48    52   -50    45   3.00000 -1.0 2.0
   48    52   -50    54   3.00000 -1.0 2.0
   48    56    62    63   3.04450 -1.0 2.0
   48    56    62    65   1.49850  1.0 1.0
   48    56    62    65   1.53950 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    50   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    62   0.00000  1.0 1.0
   52    48    56    57   0.00000  1.0 1.0
   52    48    56    62  -0.42300  1.0 1.0
   52    48    56    62  -0.07000 -1.0 2.0
   52    48    56    62   0.04150  1.0 3.0
   52    50    54    33   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    59   0.00000  1.0 1.0
   53    52   -50    45   3.00000 -1.0 2.0
   53    52    50    54   3.00000 -1.0 2.0
   50    45   -48    49   0.15000  1.0 3.0
   50    45   -48    52   3.00000 -1.0 2.0
   50    45    48    56   2.20050  1.0 1.0
   50    45    48    56   0.63450 -1.0 2.0
   50    45    48    56  -0.91300  1.0 3.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    43   0.44750  1.0 1.0
   54    33   -37    43  -0.17800 -1.0 2.0
   54    33   -37    43   0.20200  1.0 3.0
   54    33    40    41   0.15000  1.0 3.0
   54    33    40    42   0.15000  1.0 3.0
   54    33    40    44   0.44750  1.0 1.0
   54    33    40    44  -0.17800 -1.0 2.0
   54    33    40    44   0.20200  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   56    48    52    53   0.30150 -1.0 2.0
   56    48   -52    50   0.00000  1.0 1.0
   56    62    65    66   0.00000  1.0 1.0
   56    62    65    67   0.00000  1.0 1.0
   56    62    65    73   0.00000  1.0 1.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    65   2.45000 -1.0 2.0
   62    65    73    74   0.68100  1.0 1.0
   62    65    73    74   0.03350 -1.0 2.0
   62    65    73    74   0.36200  1.0 3.0
   62    65    73    78   0.68100  1.0 1.0
   62    65    73    78   0.03350 -1.0 2.0
   62    65    73    78   0.36200  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    73   0.30150 -1.0 2.0
   65    73    74    75   3.62500 -1.0 2.0
   65    73    74    76   3.62500 -1.0 2.0
   65    73    78    77   3.62500 -1.0 2.0
   66    65    73    74   0.00000  1.0 1.0
   66    65    73    78   0.00000  1.0 1.0
   67    65    73    74   0.00000  1.0 1.0
   67    65    73    78   0.00000  1.0 1.0
   73    74   -76    77   3.62500 -1.0 2.0
   74    73   -78    77   3.62500 -1.0 2.0
   74    76   -77    78   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    77   -78    73   3.62500 -1.0 2.0
   78    73    74    75   3.62500 -1.0 2.0
   78    73   -74    76   3.62500 -1.0 2.0
   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    54    50   0.42250  1.0 1.0
   40    33    54    50  -0.48100 -1.0 2.0
   40    33    54    50   0.35650  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    59  -0.84850  1.0 1.0
   40    33    54    59  -0.22800 -1.0 2.0
   40    33    54    59   0.29250  1.0 3.0
   40    44    47    51   0.63150 -1.0 2.0
   40    44    47    68   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    51    58   3.62500 -1.0 2.0
   44    47    68    64   3.62500 -1.0 2.0
   47    51   -58    64   3.62500 -1.0 2.0
   51    47   -68    64   3.62500 -1.0 2.0
   51    58   -64    68   3.62500 -1.0 2.0
   51    58    64    69   3.62500 -1.0 2.0
   58    64   -68    47   3.62500 -1.0 2.0
   58    64    69    70   0.00000  1.0 1.0
   58    64    69    71   0.00000  1.0 1.0
   58    64    69    72   0.00000  1.0 1.0
   68    47   -51    58   3.62500 -1.0 2.0
   68    64    69    70   0.00000  1.0 1.0
   68    64    69    71   0.00000  1.0 1.0
   68    64    69    72   0.00000  1.0 1.0
   69    64    68    47   3.62500 -1.0 2.0
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    50    52    53  10.50000 -1.0 2.0
   54    52    50    45   1.00000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   57    62    56    48   1.00000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
   74    78    73    65   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   51    68    47    44   4.00000 -1.0 2.0
   69    68    64    58   4.00000 -1.0 2.0
END
