* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    118    180     347
    1     0 S   NP   _N1_     1    28.15167    96.52230   -23.41243
    2     1 S   H    _HN1     2     1.02954    80.60268   -25.70616
    3     1 S   H    _H1_     3     1.02832    28.78134   131.21294
    4     1 S   H    _H2_     4     1.02773   106.85851  -132.16703
    5     1 S   CT   _CA1     5     1.50157   132.49551    83.39017
    6     5 S   HC   _HA1     6     1.09568   105.20727    81.76046
    7     5 S   CO3  _C1_     7     1.53800   112.20384   -38.49874
    8     7 S   O2Z  _O11     8     1.26387   114.97494   -45.14572
    9     7 S   O2Z  _O12     9     1.26200   114.96078   133.67257
   10     5 S   CT   _CB1    10     1.53066   107.39728  -160.22974
   11    10 S   HC   HB11    11     1.09834   109.49870   -48.68007
   12    10 S   HC   HB12    12     1.09812   110.39613    67.92399
   13    10 S   CT   _CG1    13     1.53019   112.62650  -169.59786
   14    13 S   HC   HG11    14     1.09586   110.64286   -63.74566
   15    13 S   HC   HG12    15     1.09658   109.84622    55.46936
   16    13 S   C    _CD1    16     1.51839   112.06355   176.07724
   17    16 S   O    _OE1    17     1.22784   123.28153     7.77859
   18    16 S   N    _N2_    18     1.38439   111.85604  -172.66934
   19    18 S   H    _HN2    19     1.01652   119.27516     1.47751
   20    18 S   CT1  _CA2    20     1.45811   122.87152  -179.34808
   21    20 S   HC   _HA2    21     1.09730   108.51256    32.66474
   22    20 S   C    _C2_    22     1.52904   107.23357   -84.80073
   23    22 S   O    _O2_    23     1.22980   123.05614   -30.72151
   24    20 S   CT   _CB2    32     1.53239   112.05256   155.64964
   25    24 S   HC   HB21    33     1.09461   109.56987    57.69952
   26    24 S   HC   HB22    34     1.09524   110.31269   175.99709
   27    22 S   N    _N3_    24     1.38508   112.58519   151.81158
   28    27 S   H    _HN3    25     1.01648   120.37356    -1.17536
   29    24 S   S    _SG2    35     1.82922   110.76534   -64.38630
   30    27 S   CT   _CA3    26     1.45359   122.43232   179.01325
   31    30 S   HC   HA31    27     1.09562   107.53724   -62.90734
   32    30 S   HC   HA32    28     1.09573   107.87674    53.41840
   33    29 S   CT   _C13    36     1.86381   101.48652   153.72908
   34    30 S   CO3  _C3_    29     1.52890   114.37330   175.46287
   35    34 S   O2Z  _O31    30     1.26330   116.07173     1.84631
   36    34 S   O2Z  _O32    31     1.26448   114.40109  -178.13386
   37    33 S   CM   _C14    37     1.52504   113.05069   -62.42715
   38    37 S   HC   _H11    38     1.08965   113.21038   146.51227
   39    33 S   CO3  _C17    45     1.56062   100.43953   178.11820
   40    39 S   O2Z  _O40    46     1.26885   115.58913   -84.62616
   41    39 S   O2Z  _O39    47     1.26549   116.84541    95.08601
   42    33 S   CT   _C12    48     1.55081   107.66543    61.15731
   43    42 S   HC   _H9_    49     1.09738   109.34744   -68.50777
   44    42 S   HC   _H10    50     1.09771   110.31818    50.66783
   45    37 S   CM   _C15    39     1.34572   131.10815   -33.24059
   46    42 S   CO4  _C11    51     1.53163   115.03496   171.38318
   47    46 S   O    _O35    52     1.22866   122.66991   -12.79347
   48    45 S   CO3  _C16    40     1.55421   121.70046   178.96448
   49    48 S   O2Z  _O37    41     1.26283   116.97905    -2.41443
   50    48 S   O2Z  _O36    42     1.26802   113.90786   178.20834
   51    45 S   OH   _O38    43     1.38074   122.90275    -2.27572
   52    51 S   HO   _H12    44     0.97574   106.26982  -173.70256
   53    46 S   CA   _C9_    53     1.49712   118.74958   166.82496
   54    53 S   CA   _C8_    54     1.40187   120.11192    19.75424
   55    54 S   HA   _H7_    55     1.08692   120.29750     0.66352
   56    54 S   CA   _C7_    56     1.40568   121.26836  -179.93744
   57    56 S   CA   _C6_    57     1.40507   118.70460    -0.01978
   58    57 S   HA   _H6_    58     1.08633   118.45465   180.00000
   59    56 S   CO3  _C18    68     1.51152   120.68359  -179.89165
   60    59 S   O2Z  _O42    69     1.27081   117.28944  -177.41298
   61    59 S   O2Z  _O41    70     1.27059   117.28628     2.60579
   62    57 S   CA   _C5_    59     1.39874   121.07328    -0.20748
   63    53 S   CA   _C10    60     1.40507   121.07619  -160.58637
   64    62 S   OS   _O33    63     1.37267   124.83289  -179.89721
   65    63 S   OH   _O34    61     1.37378   122.27812     0.43835
   66    65 S   HO   _H8_    62     0.97361   109.03262    -4.64266
   67    64 S   CT   _C4_    64     1.42218   117.33147    -0.15066
   68    67 S   HC   _H3_    65     1.09431   107.72897  -179.89165
   69    67 S   HC   _H4_    66     1.09495   111.14841    62.41919
   70    67 S   HC   _H5_    67     1.09496   111.15675   -62.20173
  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  11   5   4   3
  14   2   1   1  14   5   7   2   1   8   4   3   5   8   3   4
   2   1   1   1  10  10   4   8   9   4   3   1   1   8   4   5
   1   1   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    41    42    43    44    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    48    51    39    40    41    42    43    44    46    47    53  
   35    36  
   36  
    0  
   38    45    48    49    50    51    52    39    40    41    42    43    44    46  
   45    48    51    39    42  
   40    41    42    43    44    46    45  
   41    42  
   42  
   43    44    46    47    53    54    63    45  
   44    46    47    53  
   46    47    53  
   48    49    50    51    52  
   47    53    54    55    56    62    63    65  
   53    54    63  
   49    50    51    52  
   50    51  
   51  
   52  
    0  
   54    55    56    57    62    63    65    66    64    59  
   55    56    57    58    62    63    65    59    60    61  
   56    57    63    59  
   57    58    62    63    64    59    60    61  
   58    62    63    65    64    67    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    65    66    64    67    68    69    70  
   65    66    64    67  
   67    68    69    70    65  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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   0.067500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.715000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.522
   33    42   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    48   230.000  1.545
   45    51   510.000  1.338
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
   39    40   656.000  1.250
   39    41   656.000  1.250
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   317.000  1.522
   46    47   570.000  1.229
   46    53   310.000  1.470
   53    54   469.000  1.400
   53    63   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   400.000  1.490
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   450.000  1.364
   65    66   553.000  0.945
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   656.000  1.250
   59    61   656.000  1.250
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  112.20000
   29    33    39    70.00000  116.78000
   29    33    42    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    70.00000  117.00000
   33    39    41    70.00000  117.00000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    46    63.00000  111.10000
   37    45    48    55.00000  124.75400
   37    45    51    80.00000  121.38400
   45    37    38    35.00000  120.00000
   45    48    49    85.00000  113.83300
   45    48    50    85.00000  113.83300
   45    51    52    70.00000  107.45700
   50    48    49    80.00000  126.00000
   51    45    48    80.00000  119.00000
   39    33    37    65.00000  111.94000
   41    39    40    80.00000  126.00000
   42    33    37    70.00000  112.02700
   42    33    39    70.00000  109.69300
   42    46    47    80.00000  120.40000
   42    46    53    65.00000  115.47100
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   46    53    54    60.00000  119.52600
   46    53    63    60.00000  119.52600
   53    46    47    75.00000  123.78400
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    63    62    63.00000  120.00000
   53    63    65    70.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    85.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    62    63.00000  120.00000
   56    59    60    80.00000  120.40000
   56    59    61    80.00000  120.40000
   57    62    63    63.00000  120.00000
   57    62    64    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    65    70.00000  120.00000
   62    64    67    75.00000  111.00000
   63    53    54    63.00000  120.00000
   63    65    66    35.00000  113.00000
   64    62    63    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    56    57    85.00000  120.00000
   61    59    60    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.30150 -1.0 2.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    46   0.56750  1.0 1.0
   29    33    42    46  -0.07550 -1.0 2.0
   29    33    42    46   0.20000  1.0 3.0
   33    37    45    48   7.00000 -1.0 2.0
   33    37    45    51   7.00000 -1.0 2.0
   33    42    46    47   0.30150 -1.0 2.0
   33    42    46    53   0.05850 -1.0 2.0
   33    42    46    53   0.17250  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    41   0.30150 -1.0 2.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    46  -0.98800  1.0 1.0
   37    33    42    46   0.48800 -1.0 2.0
   37    33    42    46   0.76800  1.0 3.0
   37    45    48    49  -0.04000 -1.0 2.0
   37    45    48    49  -0.29050  1.0 3.0
   37    45    48    50  -0.04000 -1.0 2.0
   37    45    48    50  -0.29050  1.0 3.0
   37    45    51    52  -0.66100  1.0 1.0
   37    45    51    52   1.20850 -1.0 2.0
   37    45    51    52  -0.36000  1.0 3.0
   38    37    45    48   7.00000 -1.0 2.0
   38    37    45    51   7.00000 -1.0 2.0
   48    45    51    52   2.00000 -1.0 2.0
   51    45    48    49   1.68800 -1.0 2.0
   51    45    48    50   1.68800 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.51250  1.0 1.0
   39    33    37    45  -0.88800 -1.0 2.0
   39    33    37    45   0.08850  1.0 3.0
   39    33    42    43  -0.11250  1.0 3.0
   39    33    42    44  -0.11250  1.0 3.0
   39    33    42    46  -0.30950  1.0 1.0
   39    33    42    46   1.11150 -1.0 2.0
   39    33    42    46   0.40350  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    45   0.09850  1.0 1.0
   42    33    37    45   0.15250 -1.0 2.0
   42    33    37    45  -0.50650  1.0 3.0
   42    33    39    40   0.41150 -1.0 2.0
   42    33    39    41   0.41150 -1.0 2.0
   42    46    53    54   2.26350  1.0 1.0
   42    46    53    54   0.76750 -1.0 2.0
   42    46    53    54   0.22500  1.0 3.0
   42    46    53    63   2.26350  1.0 1.0
   42    46    53    63   0.76750 -1.0 2.0
   42    46    53    63   0.22500  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.00000  1.0 1.0
   44    42    46    47   0.00000  1.0 1.0
   44    42    46    53   0.00000  1.0 1.0
   46    53    54    55   3.62500 -1.0 2.0
   46    53    54    56   3.62500 -1.0 2.0
   46    53    63    62   3.62500 -1.0 2.0
   46    53    63    65   3.62500 -1.0 2.0
   47    46    53    54   1.05000 -1.0 2.0
   47    46    53    63   1.05000 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    59   3.62500 -1.0 2.0
   53    63    65    66   0.84100 -1.0 2.0
   54    53    63    62   3.62500 -1.0 2.0
   54    53    63    65   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56   -57    62   3.62500 -1.0 2.0
   54    56    59    60   1.05000 -1.0 2.0
   54    56    59    61   1.05000 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57    62    63   3.62500 -1.0 2.0
   56    57    62    64   3.62500 -1.0 2.0
   57    56    59    60   1.05000 -1.0 2.0
   57    56    59    61   1.05000 -1.0 2.0
   57    62   -63    53   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    64    67   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    63    65    66   0.84100 -1.0 2.0
   62    64    67    68   0.08050  1.0 3.0
   62    64    67    69   0.08050  1.0 3.0
   62    64    67    70   0.08050  1.0 3.0
   63    53    54    55   3.62500 -1.0 2.0
   63    53   -54    56   3.62500 -1.0 2.0
   63    62    64    67   1.63200 -1.0 2.0
   64    62    63    53   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    62   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
   33    38    37    45  15.00000 -1.0 2.0
   48    51    45    37  15.00000 -1.0 2.0
   49    45    48    50  10.50000 -1.0 2.0
   40    33    39    41  10.50000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   54    63    53    46   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   62    65    63    53   4.00000 -1.0 2.0
   60    56    59    61  10.50000 -1.0 2.0
END
