* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    108    170     314
    1     0 S   NP   _N1_     1    28.93498    96.28004   -21.39900
    2     1 S   H    _HN1     2     1.02955    76.71155    22.32085
    3     1 S   H    _H1_     3     1.02827    41.86665   157.84309
    4     1 S   H    _H2_     4     1.02776    91.29124   -86.28548
    5     1 S   CT   _CA1     5     1.50084   150.27830   130.22202
    6     5 S   HC   _HA1     6     1.09569   105.23465    78.39801
    7     5 S   CO3  _C1_     7     1.53765   112.65691   -41.87498
    8     7 S   O2Z  _O11     8     1.26349   114.95011   -38.18172
    9     7 S   O2Z  _O12     9     1.26250   114.97398   141.27263
   10     5 S   CT   _CB1    10     1.53090   107.46290  -163.49070
   11    10 S   HC   HB11    11     1.09820   109.38105   -49.96498
   12    10 S   HC   HB12    12     1.09818   110.42658    66.69712
   13    10 S   CT   _CG1    13     1.52908   112.53433  -171.01893
   14    13 S   HC   HG11    14     1.09509   110.48379   -65.27756
   15    13 S   HC   HG12    15     1.09670   109.88907    53.89536
   16    13 S   C    _CD1    16     1.51698   112.51955   174.35903
   17    16 S   O    _OE1    17     1.22694   123.40786     1.75992
   18    16 S   N    _N2_    18     1.38589   111.40048  -178.09834
   19    18 S   H    _HN2    19     1.01592   118.88757     1.08912
   20    18 S   CT1  _CA2    20     1.46144   123.53454   177.94729
   21    20 S   HC   _HA2    21     1.09726   109.49002    -3.53679
   22    20 S   C    _C2_    22     1.53461   108.35098  -119.04185
   23    22 S   O    _O2_    23     1.23032   122.36394  -148.00881
   24    20 S   CT   _CB2    32     1.53168   111.18263   118.69476
   25    24 S   HC   HB21    33     1.09529   109.85999    55.25435
   26    24 S   HC   HB22    34     1.09511   110.72967   173.50019
   27    22 S   N    _N3_    24     1.38356   113.54780    39.43455
   28    27 S   H    _HN3    25     1.01617   119.51364    -3.44395
   29    24 S   S    _SG2    35     1.82951   111.44391   -67.70479
   30    27 S   CT   _CA3    26     1.45283   123.19766   177.09640
   31    30 S   HC   HA31    27     1.09549   107.50882   -64.51524
   32    30 S   HC   HA32    28     1.09556   107.98320    51.91831
   33    29 S   CT   _C9_    36     1.84702    99.88185   136.08408
   34    33 S   HC   _H4_    37     1.09725   107.62004    34.38847
   35    30 S   CO3  _C3_    29     1.52950   114.08379   173.90635
   36    35 S   O2Z  _O31    30     1.26372   116.05469    -0.96854
   37    35 S   O2Z  _O32    31     1.26428   114.41486   179.09367
   38    33 S   C5A  _C10    38     1.49761   108.52310   -83.62820
   39    33 S   CT   _C8_    48     1.54991   110.00690   153.04274
   40    39 S   HC   _H3_    49     1.09953   109.53251    57.08006
   41    38 S   C5BC _C11    39     1.38365   132.91296   106.04934
   42    41 S   HA   _H8_    40     1.08098   125.92445    -1.30356
   43    39 S   C5A  _C6_    50     1.49965   111.94363   176.98468
   44    39 S   C    _C14    58     1.53013   112.12933   -63.61901
   45    44 S   O    _O37    59     1.22888   123.56563   -33.41647
   46    41 S   C5BC _C12    41     1.41815   106.83398   177.71981
   47    46 S   HA   _H9_    42     1.08085   127.71949  -179.18964
   48    43 S   C5BC _C5_    51     1.37997   132.75235  -123.21239
   49    48 S   HA   _H6_    52     1.08081   126.18487    -0.43115
   50    44 S   N    _N5_    60     1.37706   113.64686   147.95100
   51    50 S   H    _H10    61     1.01420   122.80145    -0.25334
   52    50 S   H    _H11    62     1.01407   120.22864   179.47623
   53    46 S   C5A  _C13    43     1.37093   105.02583     0.10279
   54    48 S   C5BC _C4_    53     1.41482   106.35303   179.28482
   55    54 S   HA   _H5_    54     1.08043   127.58902  -179.94065
   56    38 S   OA   _O34    44     1.36910   117.14425   -75.58411
   57    53 S   NO2  _N4_    45     1.41854   132.22974  -177.57974
   58    57 S   ON   _O36    46     1.23636   116.49113     8.74554
   59    57 S   ON   _O35    47     1.23699   117.38473  -172.12832
   60    54 S   C5A  _C7_    55     1.37476   106.17830    -0.01978
   61    60 S   HA   _H7_    56     1.08029   133.77925  -179.97202
   62    43 S   OA   _O33    57     1.36515   117.23187    55.94541
  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   9   5   4   3
  15   7   2   1   1  11  14   6   6   4  10   6   3   6   3   6
   4   2   1   1   4   4   3   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    53    56    39    40    43    48    62    44    45    50  
   38    41    56    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    47    53    56    57    39    40    43    44  
   40    43    48    49    54    60    62    44    45    50    51    52    41    56  
   43    48    62    44    45    50  
   42    46    47    53    56    57  
   46    47    53    56  
   48    49    54    55    60    61    62    44    45    50  
   45    50    51    52    48    62  
   50    51    52  
   47    53    56    57    58    59  
   53    56    57  
   49    54    55    60    61    62  
   54    55    60    62  
   51    52  
   52  
    0  
   56    57    58    59  
   55    60    61    62  
   60    61    62  
   57    58    59  
   58    59  
   59  
    0  
   61    62  
   62  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5500   0.0700   0.213000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   57   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   58   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   59   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   60   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   295.000  1.489
   33    39   268.000  1.529
   38    41   546.000  1.367
   38    56   340.000  1.360
   41    42   367.000  1.080
   41    46   469.000  1.424
   46    47   367.000  1.080
   46    53   546.000  1.367
   53    56   340.000  1.360
   53    57   370.000  1.420
   57    58   550.000  1.225
   57    59   550.000  1.225
   39    40   340.000  1.090
   39    43   295.000  1.489
   39    44   317.000  1.522
   43    48   546.000  1.367
   43    62   340.000  1.360
   48    49   367.000  1.080
   48    54   469.000  1.424
   54    55   367.000  1.080
   54    60   546.000  1.367
   60    61   367.000  1.080
   60    62   340.000  1.360
   44    45   570.000  1.229
   44    50   490.000  1.335
   50    51   434.000  1.010
   50    52   434.000  1.010
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    50.00000  133.50000
   33    38    56    80.00000  116.10000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  113.44400
   33    39    44    63.00000  111.10000
   38    33    34    45.00000  110.47400
   38    41    42    35.00000  125.70000
   38    41    46    70.00000  107.30000
   38    56    53    70.00000  106.50000
   41    46    47    35.00000  127.50000
   41    46    53    70.00000  107.30000
   46    41    42    35.00000  127.50000
   46    53    56    70.00000  110.60000
   46    53    57    85.00000  120.00000
   53    46    47    35.00000  125.70000
   53    57    58    95.00000  118.09500
   53    57    59    95.00000  118.09500
   56    38    41    70.00000  110.60000
   57    53    56    85.00000  118.00000
   59    57    58    80.00000  125.30000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  113.44400
   39    43    48    50.00000  133.50000
   39    43    62    80.00000  116.10000
   39    44    45    80.00000  120.40000
   39    44    50    70.00000  116.60000
   43    39    40    45.00000  110.47400
   43    48    49    35.00000  125.70000
   43    48    54    70.00000  107.30000
   43    62    60    70.00000  106.50000
   48    54    55    35.00000  127.50000
   48    54    60    70.00000  107.30000
   54    48    49    35.00000  127.50000
   54    60    61    35.00000  132.10000
   54    60    62    70.00000  110.60000
   60    54    55    35.00000  125.70000
   62    43    48    70.00000  110.60000
   62    60    61    35.00000  113.40000
   44    39    40    35.00000  109.50000
   44    39    43    70.00000  110.34000
   44    50    51    35.00000  119.80000
   44    50    52    35.00000  119.80000
   50    44    45    80.00000  122.90000
   52    50    51    35.00000  120.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56   0.04300 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    56    53   3.62500 -1.0 2.0
   33    39    43    48   0.04150 -1.0 2.0
   33    39    43    62   0.38650  1.0 1.0
   33    39    43    62  -0.24750 -1.0 2.0
   33    39    43    62   0.76750  1.0 3.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    50   1.39750  1.0 1.0
   33    39    44    50  -0.07950 -1.0 2.0
   33    39    44    50  -0.18750  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.43200  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.94300  1.0 1.0
   38    33    39    43   1.32550 -1.0 2.0
   38    33    39    43  -0.07100  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41   -46    53   3.62500 -1.0 2.0
   41    38   -56    53   3.62500 -1.0 2.0
   41    46   -53    56   3.62500 -1.0 2.0
   41    46    53    57   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    53   3.62500 -1.0 2.0
   46    53   -56    38   3.62500 -1.0 2.0
   46    53    57    58   0.69950 -1.0 2.0
   46    53    57    59   0.69950 -1.0 2.0
   47    46    53    56   3.62500 -1.0 2.0
   47    46    53    57   3.62500 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    46   3.62500 -1.0 2.0
   56    53    57    58   0.60000 -1.0 2.0
   56    53    57    59   0.60000 -1.0 2.0
   57    53    56    38   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    56   0.38650  1.0 1.0
   39    33    38    56  -0.24750 -1.0 2.0
   39    33    38    56   0.76750  1.0 3.0
   39    43    48    49   3.62500 -1.0 2.0
   39    43    48    54   3.62500 -1.0 2.0
   39    43    62    60   3.62500 -1.0 2.0
   39    44    50    51   2.45000 -1.0 2.0
   39    44    50    52   2.45000 -1.0 2.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    43    62   0.00000  1.0 1.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    50   0.00000  1.0 1.0
   43    39    44    45   0.30150 -1.0 2.0
   43    39    44    50   0.00000  1.0 1.0
   43    48    54    55   3.62500 -1.0 2.0
   43    48   -54    60   3.62500 -1.0 2.0
   48    43   -62    60   3.62500 -1.0 2.0
   48    54    60    61   3.62500 -1.0 2.0
   48    54   -60    62   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    60   3.62500 -1.0 2.0
   54    60   -62    43   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    62   3.62500 -1.0 2.0
   61    60    62    43   3.62500 -1.0 2.0
   62    43    48    49   3.62500 -1.0 2.0
   62    43   -48    54   3.62500 -1.0 2.0
   44    39    43    48   0.04300 -1.0 2.0
   44    39    43    62   0.04300 -1.0 2.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   2.45000 -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
   36    30    35    37  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   53    47    46    41   1.10000 -1.0 2.0
   57    56    53    46   4.00000 -1.0 2.0
   58    53    57    59  10.50000 -1.0 2.0
   48    62    43    39   4.00000 -1.0 2.0
   54    49    48    43   1.10000 -1.0 2.0
   60    55    54    48   1.10000 -1.0 2.0
   62    61    60    54   1.10000 -1.0 2.0
   39    50    44    45  10.50000 -1.0 2.0
   52    44    50    51   1.00000 -1.0 2.0
END
