* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    149    244     441
    1     0 S   NP   _N1_     1    28.84633    95.88943   -18.57282
    2     1 S   H    _HN1     2     1.02780    69.29866   -80.44897
    3     1 S   H    _H1_     3     1.02961    94.71539    27.35125
    4     1 S   H    _H2_     4     1.02839    47.00236   136.34815
    5     1 S   CT   _CA1     5     1.50094   151.77974  -179.13137
    6     5 S   HC   _HA1     6     1.09564   105.31874    25.99788
    7     5 S   CO3  _C1_     7     1.53871   112.24430   -94.43288
    8     7 S   O2Z  _O11     8     1.26366   115.02744   -46.20210
    9     7 S   O2Z  _O12     9     1.26231   114.92460   133.04233
   10     5 S   CT   _CB1    10     1.53083   107.44827   144.05465
   11    10 S   HC   HB11    11     1.09818   109.62744   -49.36769
   12    10 S   HC   HB12    12     1.09834   110.27763    67.21869
   13    10 S   CT   _CG1    13     1.53028   112.61087  -170.45295
   14    13 S   HC   HG11    14     1.09559   110.38873   -56.57346
   15    13 S   HC   HG12    15     1.09609   110.22601    62.54622
   16    13 S   C    _CD1    16     1.51795   111.91471  -177.24196
   17    16 S   O    _OE1    17     1.22737   123.10413   -15.96495
   18    16 S   N    _N2_    18     1.38551   111.78344   164.53257
   19    18 S   H    _HN2    19     1.01590   119.06875     1.94239
   20    18 S   CT1  _CA2    20     1.46217   123.41630  -176.81058
   21    20 S   HC   _HA2    21     1.09726   109.41809   -14.80611
   22    20 S   C    _C2_    22     1.53384   108.35663  -130.62002
   23    22 S   O    _O2_    23     1.23008   122.27290  -145.85820
   24    20 S   CT   _CB2    32     1.53472   111.08782   107.28755
   25    24 S   HC   HB21    33     1.09379   109.45587    55.47695
   26    24 S   HC   HB22    34     1.09526   110.59014   173.48398
   27    22 S   N    _N3_    24     1.38518   113.33225    41.55287
   28    27 S   H    _HN3    25     1.01530   118.91862    -0.53595
   29    24 S   S    _SG2    35     1.83156   111.63346   -67.74697
   30    27 S   CT   _CA3    26     1.45449   123.40643   175.08677
   31    30 S   HC   HA31    27     1.09526   109.18408    25.28920
   32    30 S   HC   HA32    28     1.09494   107.12954   142.29015
   33    29 S   CT   _C23    36     1.86867   101.45453   140.10608
   34    30 S   CO3  _C3_    29     1.52933   113.17663   -98.14933
   35    34 S   O2Z  _O31    30     1.26398   115.43789   -43.51343
   36    34 S   O2Z  _O32    31     1.26361   114.96159   137.43834
   37    33 S   C    _C17    37     1.51856   106.59981    60.10664
   38    37 S   O    _O24    38     1.22236   124.02750   -96.30297
   39    33 S   CT   _C21    78     1.52847   111.12867   -71.13783
   40    39 S   HC   _H42    79     1.09840   109.46745   171.60653
   41    39 S   HC   _H43    80     1.09521   112.21822    55.13814
   42    37 S   N    _N22    39     1.40312   106.24764    84.39088
   43    42 S   CA   _C13    40     1.42854   124.30834  -165.95947
   44    42 S   C    _C16    65     1.40042   111.21801    14.13814
   45    44 S   O    _O23    66     1.21999   130.83255  -168.91383
   46    43 S   CA   _C6_    41     1.40207   121.43965  -163.25719
   47    46 S   HA   _H30    42     1.08551   121.90589     1.97833
   48    33 S   CT   _C22    67     1.53111   113.45373   167.68635
   49    48 S   HC   _H44    68     1.10435   109.24192   177.87072
   50    46 S   CA   _C8_    43     1.40022   121.20136  -179.93744
   51    50 S   HA   _H32    44     1.08781   119.08201  -179.54158
   52    48 S   CT   _C20    69     1.51504   113.51046    59.29961
   53    52 S   HC   _H40    70     1.09501   111.92886   -62.54409
   54    52 S   HC   _H41    71     1.09631   110.30055   179.64282
   55    50 S   CA   _C14    45     1.39421   120.83484     0.15066
   56    52 S   CT   _C18    72     1.53625   108.40995    59.59121
   57    56 S   HC   _H36    73     1.09597   109.67128  -172.58053
   58    56 S   HC   _H37    74     1.09768   108.55297    71.45149
   59    55 S   CA   _C9_    46     1.39191   118.75417     0.01978
   60    59 S   HA   _H33    47     1.08570   121.96605   179.51302
   61    55 S   OS   _O25    50     1.36791   115.10873   179.96044
   62    56 S   CT   _C19    75     1.53752   113.92840   -49.27353
   63    62 S   HC   _H38    76     1.09636   109.23388   168.88654
   64    62 S   HC   _H39    77     1.09536   108.50912   -75.88357
   65    43 S   CA   _C7_    48     1.40377   121.29129    17.01314
   66    65 S   HA   _H31    49     1.08610   121.66611     1.87618
   67    61 S   CT   _C24    51     1.42620   117.04471   179.92598
   68    67 S   HC   _H45    52     1.09739   110.68577    60.55355
   69    67 S   HC   _H46    53     1.09740   110.69942   -60.24972
   70    67 S   CA   _C12    54     1.50630   107.83213  -179.85598
   71    70 S   CA   _C4_    55     1.40177   120.42464   -88.89981
   72    71 S   HA   _H28    56     1.08739   120.30314    -1.02603
   73    71 S   CA   _C10    57     1.39604   120.49846   178.87083
   74    73 S   HA   _H34    58     1.08668   119.40253   179.80517
   75    73 S   CA   _C15    59     1.39394   119.70464    -0.37587
   76    75 S   Cl   CL27    60     1.72193   119.76568  -179.96044
   77    75 S   CA   _C11    61     1.39394   120.46837    -0.15451
   78    77 S   HA   _H35    62     1.08668   120.89222  -179.66312
   79    70 S   CA   _C5_    63     1.40177   120.42518    89.05035
   80    79 S   HA   _H29    64     1.08739   120.30394     1.02793
  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  12   5   4   3
  18   2   1   1  14   5  13   6   5  12  12   9   3   8   4   8
   4   7   3   8   5   4   9   5   4   3   5   3   7   2   1   1
   1   1   9   4   3   9   8   4   6   3   5   3   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    48    49    52    62    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    48    49    52    53    54    56    62    63    64    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    65    44    45    48    49    52    62    39    40    41  
   42    43    44    48    39  
   40    41    42    44    48    49    52    56    57    58    62    63    64  
   41    48    56    62    63    64  
   48    56    62    63    64  
   43    46    47    50    59    65    66    44    45    48    49    52  
   46    47    50    51    55    59    60    65    66    44    45    48  
   45    48    49    52    53    54    56    46    65  
   48    49    52  
   47    50    51    55    59    65    66    61  
   50    51    55    65  
   49    52    53    54    56    57    58    62  
   52    53    54    56  
   51    55    59    60    65    61    67  
   55    59    61  
   53    54    56    57    58    62    63    64  
   54    56    57    58    62  
   56    57    58    62  
   59    60    65    66    61    67    68    69    70  
   57    58    62    63    64  
   58    62    63    64  
   62    63    64  
   60    65    66    61    67  
   65    66    61  
   67    68    69    70    71    79    65  
   63    64  
   64  
    0  
   66  
    0  
   68    69    70    71    72    73    77    79    80  
   69    70    71    79  
   70    71    79  
   71    72    73    74    75    77    78    79    80  
   72    73    74    75    76    77    79    80  
   73    74    75    79  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   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  -0.175000   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   0.007500   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   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.522
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   490.000  1.335
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    65   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    59   469.000  1.400
   55    61   450.000  1.364
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    66   367.000  1.080
   61    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   469.000  1.400
   70    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   300.000  1.725
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   39    41   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    70.00000  112.33000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    70.00000  116.60000
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  121.96500
   37    42    44    70.00000  121.37400
   42    37    38    80.00000  122.90000
   42    43    46    70.00000  119.01900
   42    43    65    70.00000  119.01900
   42    44    45    80.00000  122.90000
   42    44    48    70.00000  116.60000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   43    65    59    63.00000  120.00000
   43    65    66    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    55    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    55    59    63.00000  120.00000
   50    55    61    70.00000  120.00000
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    63.00000  120.00000
   55    61    67    75.00000  111.00000
   59    65    66    35.00000  120.00000
   65    43    46    63.00000  120.00000
   65    59    60    35.00000  120.00000
   61    55    59    70.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    85.00000  111.85700
   67    70    71    70.00000  120.00000
   67    70    79    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    79    77    63.00000  120.00000
   70    79    80    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    75.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    75.00000  120.00000
   77    79    80    35.00000  120.00000
   79    70    71    63.00000  120.00000
   79    77    78    35.00000  120.00000
   44    42    43    65.00000  121.96500
   44    48    49    35.00000  109.50000
   44    48    52    63.00000  111.10000
   48    33    37    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    56    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    39    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    39    40    37.50000  110.70000
   62    39    41    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    48    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   41    39    40    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.30150 -1.0 2.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.44750  1.0 1.0
   29    33    48    52  -0.17800 -1.0 2.0
   29    33    48    52   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.76000  1.0 1.0
   33    37    42    43   4.11600 -1.0 2.0
   33    37   -42    44   2.45000 -1.0 2.0
   33    48    52    53   0.15000  1.0 3.0
   33    48    52    54   0.15000  1.0 3.0
   33    48    52    56   0.56750  1.0 1.0
   33    48    52    56  -0.07550 -1.0 2.0
   33    48    52    56   0.20000  1.0 3.0
   37    33   -48    44   0.11950  1.0 1.0
   37    33   -48    44   0.20300 -1.0 2.0
   37    33   -48    44  -0.70800  1.0 3.0
   37    33    48    49  -0.11250  1.0 3.0
   37    33    48    52  -0.95700  1.0 1.0
   37    33    48    52  -0.18200 -1.0 2.0
   37    33    48    52   0.29450  1.0 3.0
   37    33    39    62  -0.95700  1.0 1.0
   37    33    39    62  -0.18200 -1.0 2.0
   37    33    39    62   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    46   1.00100  1.0 1.0
   37    42    43    46   0.85050 -1.0 2.0
   37    42    43    65   1.00100  1.0 1.0
   37    42    43    65   0.85050 -1.0 2.0
   37    42    44    45   2.22250 -1.0 2.0
   37    42   -44    48   2.45000 -1.0 2.0
   38    37    42    43   0.04000 -1.0 2.0
   38    37    42    44   2.22250 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    65    59   3.62500 -1.0 2.0
   42    43    65    66   3.62500 -1.0 2.0
   42    44   -48    33   1.39750  1.0 1.0
   42    44   -48    33  -0.07950 -1.0 2.0
   42    44   -48    33  -0.18750  1.0 3.0
   42    44    48    49   0.00000  1.0 1.0
   42    44    48    52   1.39750  1.0 1.0
   42    44    48    52  -0.07950 -1.0 2.0
   42    44    48    52  -0.18750  1.0 3.0
   43    42    44    45   0.04000 -1.0 2.0
   43    42    44    48   0.76000  1.0 1.0
   43    42    44    48   4.11600 -1.0 2.0
   43    46    50    51   3.62500 -1.0 2.0
   43    46    50    55   3.62500 -1.0 2.0
   46    43    65    59   3.62500 -1.0 2.0
   46    43    65    66   3.62500 -1.0 2.0
   46    50   -55    59   3.62500 -1.0 2.0
   46    50    55    61   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    55    59    60   3.62500 -1.0 2.0
   50    55    59    65   3.62500 -1.0 2.0
   50    55    61    67   1.63200 -1.0 2.0
   51    50    55    59   3.62500 -1.0 2.0
   51    50    55    61   3.62500 -1.0 2.0
   55    59   -65    43   3.62500 -1.0 2.0
   55    59    65    66   3.62500 -1.0 2.0
   55    61    67    68   0.08050  1.0 3.0
   55    61    67    69   0.08050  1.0 3.0
   55    61    67    70  -0.50150  1.0 1.0
   55    61    67    70  -0.23050 -1.0 2.0
   55    61    67    70   0.70600  1.0 3.0
   59    55    61    67   1.63200 -1.0 2.0
   60    59    65    43   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   65    43    46    47   3.62500 -1.0 2.0
   65    43   -46    50   3.62500 -1.0 2.0
   61    55    59    60   3.62500 -1.0 2.0
   61    55    59    65   3.62500 -1.0 2.0
   61    67    70    71   0.64500  1.0 1.0
   61    67    70    71   0.14800 -1.0 2.0
   61    67    70    71   0.20650  1.0 3.0
   61    67    70    79   0.64500  1.0 1.0
   61    67    70    79   0.14800 -1.0 2.0
   61    67    70    79   0.20650  1.0 3.0
   67    70    71    72   3.62500 -1.0 2.0
   67    70    71    73   3.62500 -1.0 2.0
   67    70    79    77   3.62500 -1.0 2.0
   67    70    79    80   3.62500 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    79   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    79   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    79    77   3.62500 -1.0 2.0
   71    70    79    80   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    70   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    70   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    70    71    72   3.62500 -1.0 2.0
   79    70   -71    73   3.62500 -1.0 2.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    65   1.00100  1.0 1.0
   44    42    43    65   0.85050 -1.0 2.0
   44    48    52    53  -0.11250  1.0 3.0
   44    48    52    54  -0.11250  1.0 3.0
   44    48    52    56  -0.95700  1.0 1.0
   44    48    52    56  -0.18200 -1.0 2.0
   44    48    52    56   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    33    37    38   0.30150 -1.0 2.0
   48    33   -37    42   1.39750  1.0 1.0
   48    33   -37    42  -0.07950 -1.0 2.0
   48    33   -37    42  -0.18750  1.0 3.0
   48    33    39    62   0.56750  1.0 1.0
   48    33    39    62  -0.07550 -1.0 2.0
   48    33    39    62   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    52    56    57   0.15000  1.0 3.0
   48    52    56    58   0.15000  1.0 3.0
   48    52   -56    62   0.56750  1.0 1.0
   48    52   -56    62  -0.07550 -1.0 2.0
   48    52   -56    62   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   52    56    62    63   0.15000  1.0 3.0
   52    56    62    64   0.15000  1.0 3.0
   52    56    62    39   0.56750  1.0 1.0
   52    56    62    39  -0.07550 -1.0 2.0
   52    56    62    39   0.20000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    62   0.15000  1.0 3.0
   54    52    56    57   0.15000  1.0 3.0
   54    52    56    58   0.15000  1.0 3.0
   54    52    56    62   0.15000  1.0 3.0
   56    62   -39    33   0.56750  1.0 1.0
   56    62   -39    33  -0.07550 -1.0 2.0
   56    62   -39    33   0.20000  1.0 3.0
   56    62    39    40   0.15000  1.0 3.0
   56    62    39    41   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    39   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    39   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   63    62    39    41   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   64    62    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   1.39750  1.0 1.0
   39    33    37    42  -0.07950 -1.0 2.0
   39    33    37    42  -0.18750  1.0 3.0
   39    33    48    44  -0.95700  1.0 1.0
   39    33    48    44  -0.18200 -1.0 2.0
   39    33    48    44   0.29450  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33   -48    52   0.56750  1.0 1.0
   39    33   -48    52  -0.07550 -1.0 2.0
   39    33   -48    52   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    37    42    43   1.00000 -1.0 2.0
   46    65    43    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   55    51    50    46   1.10000 -1.0 2.0
   59    61    55    50   4.00000 -1.0 2.0
   65    60    59    55   1.10000 -1.0 2.0
   59    66    65    43   1.10000 -1.0 2.0
   71    79    70    67   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   4.00000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    70   1.10000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
END
