* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    114    173     340
    1     0 S   NP   _N1_     1    29.19176    92.63056   -21.65778
    2     1 S   H    _HN1     2     1.02945    99.26612    45.93850
    3     1 S   H    _H1_     3     1.02785    15.38241   168.31789
    4     1 S   H    _H2_     4     1.03010    98.91605   -63.62989
    5     1 S   CT   _CA1     5     1.50285   126.44878   169.57757
    6     5 S   HC   _HA1     6     1.09554   105.39661    55.29625
    7     5 S   CO3  _C1_     7     1.53703   112.43219   -65.25405
    8     7 S   O2Z  _O11     8     1.26384   114.98490   -41.17556
    9     7 S   O2Z  _O12     9     1.26236   114.94097   138.10546
   10     5 S   CT   _CB1    10     1.52791   107.01016   173.10551
   11    10 S   HC   HB11    11     1.09697   108.70964   -52.65234
   12    10 S   HC   HB12    12     1.09695   110.13331    63.71902
   13    10 S   CT   _CG1    13     1.52879   114.01561  -174.14301
   14    13 S   HC   HG11    14     1.09551   110.27315   -64.30316
   15    13 S   HC   HG12    15     1.09580   110.53549    55.29642
   16    13 S   C    _CD1    16     1.51879   110.91933   174.75989
   17    16 S   O    _OE1    17     1.22876   122.75644   -22.33864
   18    16 S   N    _N2_    18     1.38553   112.41484   158.72617
   19    18 S   H    _HN2    19     1.01592   119.29034    -0.13122
   20    18 S   CT1  _CA2    20     1.46133   122.91043  -178.95152
   21    20 S   HC   _HA2    21     1.09577   108.91005   -19.77930
   22    20 S   C    _C2_    22     1.53423   108.64532  -134.78629
   23    22 S   O    _O2_    23     1.23014   122.21083  -147.56678
   24    20 S   CT   _CB2    32     1.53620   112.20683   102.59764
   25    24 S   HC   HB21    33     1.09659   109.43316    63.25458
   26    24 S   HC   HB22    34     1.09580   110.76755  -179.60336
   27    22 S   N    _N3_    24     1.38512   113.34184    40.06240
   28    27 S   H    _HN3    25     1.01531   118.91578    -0.72685
   29    24 S   S    _SG2    35     1.82849   115.17385   -56.54394
   30    27 S   CT   _CA3    26     1.45437   123.36494   174.49733
   31    30 S   HC   HA31    27     1.09529   109.10457    26.78285
   32    30 S   HC   HA32    28     1.09488   107.15578   143.82599
   33    29 S   CT   _C11    36     1.81579    99.98129   -68.46996
   34    33 S   HC   _H12    37     1.09413   109.82485   -70.23427
   35    33 S   HC   _H13    38     1.09229   111.80830    50.26441
   36    30 S   CO3  _C3_    29     1.52959   113.22578   -96.55121
   37    36 S   O2Z  _O31    30     1.26396   115.49778   -41.25247
   38    36 S   O2Z  _O32    31     1.26364   114.91187   139.64738
   39    33 S   C    _C10    39     1.51209   108.51198   170.72519
   40    39 S   O    _O35    40     1.22929   121.96517    97.90845
   41    39 S   N    _N4_    41     1.38592   113.03712   -82.34795
   42    41 S   H    _H11    42     1.01766   119.03443    -0.01978
   43    41 S   CT   _C8_    43     1.46794   123.21896  -178.62200
   44    43 S   HC   _H6_    44     1.09663   106.71230   -25.24525
   45    43 S   CT   _C7_    45     1.53638   111.00167    94.25345
   46    45 S   HC   _H5_    46     1.09734   109.26751  -169.95658
   47    45 S   CT   _C6_    47     1.53431   111.19452    69.55201
   48    47 S   HC   _H4_    48     1.09690   109.04752   -71.84972
   49    45 S   OH   _O36    63     1.42610   111.27378   -52.86085
   50    49 S   HO   _H14    64     0.97302   107.78705   -47.07760
   51    47 S   CT   _C5_    49     1.53735   111.15712    49.84879
   52    51 S   HC   _H3_    50     1.09821   110.74578    67.90809
   53    47 S   OH   _O37    61     1.42749   109.86666   171.55543
   54    53 S   HO   _H15    62     0.97234   108.23941   -55.67356
   55    51 S   OS   _O33    51     1.43293   110.78506   -52.23534
   56    51 S   CT   _C4_    56     1.53131   110.88605  -172.07635
   57    56 S   HC   _H8_    57     1.09472   111.03741    66.51650
   58    56 S   HC   _H9_    58     1.09439   111.15289   -55.35004
   59    43 S   CO   _C9_    52     1.53503   110.61196  -144.65068
   60    59 S   HC   _H7_    53     1.09737   110.11848   175.75421
   61    56 S   OH   _O38    59     1.42621   109.66350  -174.64782
   62    61 S   HO   _H16    60     0.97334   106.53444   171.81794
   63    59 S   OH   _O34    54     1.42307   109.18027    57.96057
   64    63 S   HO   _H10    55     0.97176   107.12088   157.94231
  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   6   5   4   3
   7   4   3   2   1   1   7   3  11   4  14   8  14   7  13   7
   4   1  12   7   3   1   8   5   3   2   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    59  
   41    42    43  
   42    43    44    45    46    47    55    59    60    63    49  
   43    44    45    59  
   44    45    46    47    48    51    55    59    60    63    64    53    49    50  
   45    46    47    55    59    60    63    49  
   46    47    48    51    52    55    59    60    63    56    53    54    49    50  
   47    48    51    59    53    49    50  
   48    51    52    55    59    56    57    58    61    53    54    49    50  
   51    52    55    56    53    54    49  
   50    51    53    59  
    0  
   52    55    59    60    63    56    57    58    61    62    53    54  
   55    59    56    57    58    61    53  
   54    55    56  
    0  
   59    60    63    64    56    57    58    61  
   57    58    61    62    59  
   58    61    62  
   61    62  
   60    63    64  
   63    64  
   62  
    0  
   64  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   42   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   434.000  1.010
   41    43   337.000  1.449
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    59   250.000  1.527
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.410
   51    56   268.000  1.529
   55    59   320.000  1.380
   59    60   340.000  1.090
   59    63   380.000  1.407
   63    64   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   320.000  1.410
   61    62   553.000  0.945
   53    54   553.000  0.945
   49    50   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    35.00000  119.80000
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  110.72300
   41    43    59    70.00000  110.72300
   43    41    42    38.00000  118.40000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    45    49    50.00000  109.50000
   43    59    55    90.00000  108.56700
   43    59    60    45.00000  112.01100
   43    59    63    90.00000  110.19100
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    47    53    50.00000  109.50000
   45    49    50    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    55    50.00000  109.50000
   47    51    56    58.35000  112.70000
   47    53    54    55.00000  108.50000
   51    47    48    37.50000  110.70000
   51    55    59    60.00000  109.50000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    50.00000  109.50000
   55    51    52    35.00000  109.50000
   55    59    60    35.00000  109.50000
   55    59    63   110.00000  112.08000
   59    43    44    45.00000  108.72000
   59    43    45    75.00000  109.43000
   59    63    64    70.00000  107.92000
   63    59    60    60.00000  108.02500
   56    51    52    37.50000  110.70000
   56    51    55    50.00000  109.50000
   56    61    62    55.00000  108.50000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   53    47    48    35.00000  109.50000
   53    47    51    50.00000  109.50000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   2.45000 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45  -0.43950  1.0 1.0
   39    41    43    45  -0.08100 -1.0 2.0
   39    41    43    45   0.03350  1.0 3.0
   39    41    43    59  -0.43950  1.0 1.0
   39    41    43    59  -0.08100 -1.0 2.0
   39    41    43    59   0.03350  1.0 3.0
   40    39    41    42   2.45000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    47  -0.27100  1.0 1.0
   41    43    45    47  -0.01700 -1.0 2.0
   41    43    45    47  -0.48600  1.0 3.0
   41    43    45    49   2.76900  1.0 1.0
   41    43    45    49  -0.24350 -1.0 2.0
   41    43    45    49  -0.78250  1.0 3.0
   41    43    59    55   1.12100  1.0 1.0
   41    43    59    55  -0.16500 -1.0 2.0
   41    43    59    60   0.15000  1.0 3.0
   41    43    59    63   2.76900  1.0 1.0
   41    43    59    63  -0.24350 -1.0 2.0
   41    43    59    63  -0.78250  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    59   0.00000  1.0 1.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    51   0.56750  1.0 1.0
   43    45    47    51  -0.07550 -1.0 2.0
   43    45    47    51   0.20000  1.0 3.0
   43    45    47    53   0.86500  1.0 1.0
   43    45    47    53  -0.17500 -1.0 2.0
   43    45    47    53   0.20800  1.0 3.0
   43    45    49    50  -0.11600  1.0 1.0
   43    45    49    50  -0.09450 -1.0 2.0
   43    45    49    50   0.21250  1.0 3.0
   43    59    63    64  -0.11600  1.0 1.0
   43    59    63    64  -0.09450 -1.0 2.0
   43    59    63    64   0.21250  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    49   0.23400  1.0 3.0
   44    43    59    55   0.23400  1.0 3.0
   44    43    59    60   0.15000  1.0 3.0
   44    43    59    63   0.23400  1.0 3.0
   45    43    59    55   0.62750  1.0 1.0
   45    43    59    55  -0.30950 -1.0 2.0
   45    43    59    55   0.27300  1.0 3.0
   45    43    59    60   0.15000  1.0 3.0
   45    43    59    63   0.86500  1.0 1.0
   45    43    59    63  -0.17500 -1.0 2.0
   45    43    59    63   0.20800  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47   -51    55   0.62750  1.0 1.0
   45    47   -51    55  -0.30950 -1.0 2.0
   45    47   -51    55   0.27300  1.0 3.0
   45    47    51    56   0.56750  1.0 1.0
   45    47    51    56  -0.07550 -1.0 2.0
   45    47    51    56   0.20000  1.0 3.0
   45    47    53    54  -0.11600  1.0 1.0
   45    47    53    54  -0.09450 -1.0 2.0
   45    47    53    54   0.21250  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    47    53   0.23400  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50  -0.11600  1.0 1.0
   47    45    49    50  -0.09450 -1.0 2.0
   47    45    49    50   0.21250  1.0 3.0
   47    51    55    59   0.06250  1.0 1.0
   47    51    55    59  -0.01100 -1.0 2.0
   47    51    55    59   0.28050  1.0 3.0
   47    51    56    57   0.15000  1.0 3.0
   47    51    56    58   0.15000  1.0 3.0
   47    51    56    61   0.86500  1.0 1.0
   47    51    56    61  -0.17500 -1.0 2.0
   47    51    56    61   0.20800  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    51    56   0.15000  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   51    47    53    54  -0.11600  1.0 1.0
   51    47    53    54  -0.09450 -1.0 2.0
   51    47    53    54   0.21250  1.0 3.0
   51    55   -59    43   0.06250  1.0 1.0
   51    55   -59    43  -0.01100 -1.0 2.0
   51    55   -59    43   0.28050  1.0 3.0
   51    55    59    60   0.37050  1.0 3.0
   51    55    59    63  -0.81800  1.0 1.0
   51    56    61    62  -0.11600  1.0 1.0
   51    56    61    62  -0.09450 -1.0 2.0
   51    56    61    62   0.21250  1.0 3.0
   52    51    55    59   0.37050  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.23400  1.0 3.0
   55    51    56    57   0.23400  1.0 3.0
   55    51    56    58   0.23400  1.0 3.0
   55    51    56    61   3.69350  1.0 1.0
   55    51    56    61  -1.82950 -1.0 2.0
   55    59    63    64  -0.50000  1.0 1.0
   55    59    63    64  -0.73950 -1.0 2.0
   55    59    63    64   0.17150  1.0 3.0
   59    43    45    46   0.15000  1.0 3.0
   59    43   -45    47   3.97050  1.0 1.0
   59    43    45    49   0.86500  1.0 1.0
   59    43    45    49  -0.17500 -1.0 2.0
   59    43    45    49   0.20800  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   56    51    55    59   0.06250  1.0 1.0
   56    51    55    59  -0.01100 -1.0 2.0
   56    51    55    59   0.28050  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   58    56    61    62   0.19450  1.0 3.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   3.69350  1.0 1.0
   53    47    51    55  -1.82950 -1.0 2.0
   53    47    51    56   0.86500  1.0 1.0
   53    47    51    56  -0.17500 -1.0 2.0
   53    47    51    56   0.20800  1.0 3.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    51   0.86500  1.0 1.0
   49    45    47    51  -0.17500 -1.0 2.0
   49    45    47    51   0.20800  1.0 3.0
   49    45    47    53   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   42    39    41    43   1.00000 -1.0 2.0
END
