* LIGAND DATABASE FILE (OPLS2005)
*
001      59    61    114    183     338
    1     0 S   NP   _N1_     1    28.99253    94.33557   -19.98214
    2     1 S   H    _HN1     2     1.02962    97.36159    32.47635
    3     1 S   H    _H1_     3     1.02835    33.37419   142.35502
    4     1 S   H    _H2_     4     1.02774    81.43726   -75.07878
    5     1 S   CT   _CA1     5     1.50131   141.82292   169.53593
    6     5 S   HC   _HA1     6     1.09571   105.23523    43.53410
    7     5 S   CO3  _C1_     7     1.53835   112.38989   -76.67281
    8     7 S   O2Z  _O11     8     1.26356   114.99645   -41.95550
    9     7 S   O2Z  _O12     9     1.26242   114.93259   137.15485
   10     5 S   CT   _CB1    10     1.53088   107.41814   161.49688
   11    10 S   HC   HB11    11     1.09818   109.42745   -49.96122
   12    10 S   HC   HB12    12     1.09817   110.35190    66.59894
   13    10 S   CT   _CG1    13     1.52983   112.66245  -171.07078
   14    13 S   HC   HG11    14     1.09548   110.32738   -61.13607
   15    13 S   HC   HG12    15     1.09632   110.12850    57.98041
   16    13 S   C    _CD1    16     1.51803   112.25123   178.20561
   17    16 S   O    _OE1    17     1.22718   123.23757   -10.29579
   18    16 S   N    _N2_    18     1.38569   111.64819   170.23229
   19    18 S   H    _HN2    19     1.01615   118.91419     0.87492
   20    18 S   CT1  _CA2    20     1.46268   123.56464  -177.81663
   21    20 S   HC   _HA2    21     1.09731   109.39038   -17.12124
   22    20 S   C    _C2_    22     1.53393   108.16351  -132.88183
   23    22 S   O    _O2_    23     1.23002   122.28200  -145.30538
   24    20 S   CT   _CB2    32     1.53594   111.10995   105.18159
   25    24 S   HC   HB21    33     1.09019   108.95461    54.81249
   26    24 S   HC   HB22    34     1.09512   110.59978   172.42855
   27    22 S   N    _N3_    24     1.38518   113.29861    42.03480
   28    27 S   H    _HN3    25     1.01535   118.91831    -0.52600
   29    24 S   S    _SG2    35     1.82638   111.31257   -69.11029
   30    27 S   CT   _CA3    26     1.45452   123.42325   175.11248
   31    30 S   HC   HA31    27     1.09525   109.19629    24.91397
   32    30 S   HC   HA32    28     1.09494   107.12232   141.91992
   33    29 S   CT   _C8_    36     1.82347   103.71639   140.29222
   34    30 S   CO3  _C3_    29     1.52936   113.18383   -98.53267
   35    34 S   O2Z  _O31    30     1.26398   115.44624   -43.16739
   36    34 S   O2Z  _O32    31     1.26362   114.95547   137.78041
   37    33 S   CM   _C9_    37     1.53691   112.53062   164.96931
   38    37 S   Cl   Cl5_    38     1.69875   125.18412   -25.49127
   39    37 S   CM   _C10    39     1.33826   108.05468   157.58324
   40    39 S   Cl   Cl4_    40     1.69392   128.05836   177.74467
   41    39 S   CT   _C11    41     1.51046   107.35658     0.57369
   42    41 S   Cl   Cl3_    42     1.75456   116.32916  -160.16825
   43    41 S   CT   _C5_    43     1.57005   107.18676    70.53659
   44    43 S   HC   _H3_    44     1.09977   109.33723   179.94065
   45    33 S   CT   _C12    57     1.57330   116.39612   -83.01574
   46    45 S   Cl   Cl1_    58     1.79311   115.94861    69.87174
   47    45 S   Cl   Cl2_    59     1.80773   114.58520   -54.18869
   48    43 S   CT   _C4_    45     1.53197   115.33436    60.48827
   49    48 S   HC   _H5_    46     1.09645   113.19054   -61.20704
   50    48 S   HC   _H6_    47     1.09547   109.41077    57.21554
   51    33 S   CT   _C6_    55     1.57570   119.03429    40.38469
   52    51 S   HC   _H4_    56     1.09663   110.43822   -53.86641
   53    48 S   OS   _O35    48     1.42686   109.77508   173.53377
   54    53 S   SZ   _S1_    49     1.61128   115.54954    96.71853
   55    54 S   OZ   _O34    50     1.49953   107.22436   172.82154
   56    54 S   OS   _O33    51     1.61120    98.36041   -76.14502
   57    56 S   CT   _C7_    52     1.42720   115.58889    75.88846
   58    57 S   HC   _H7_    53     1.09526   106.21428   145.30887
   59    57 S   HC   _H8_    54     1.09628   111.43178    29.80939
  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  12   5  10   4  13   7  15   8   6   2   1   9
   4   3   7   4   4   5   2   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    51    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    43    57    51    52    45    46    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    48    56    57    58    59    51    52    45    46    47  
   35    36  
   36  
    0  
   38    39    40    41    42    43    57    51    52    45    46    47  
   39    40    41    51    45  
   40    41    42    43    44    48    51    45    46    47  
   41    42    43    45  
   42    43    44    48    49    50    53    57    51    52    45    46    47  
   43    44    48    51    45    46    47  
   44    48    49    50    53    54    56    57    58    59    51    52    45    46    47  
   48    49    50    53    57    51    52    45  
   46    47    48    51    52    57  
   47    51  
   51  
   49    50    53    54    55    56    57    51    52  
   50    53    54    51  
   53    54    51  
   52    53    54    56    57    58    59  
   56    57    58    59  
   54    55    56    57  
   55    56    57    58    59  
   56    57  
   57    58    59  
   58    59  
   59  
    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   0.296100   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   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   39   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   41   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   47   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   48   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.437500   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5600   0.3950   0.890000   2.0080   1.7800   0.025682759  -1.666211680
   55   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   56   2.9000   0.1400  -0.437500   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   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    51   268.000  1.529
   33    45   268.000  1.529
   37    38   300.000  1.725
   37    39   549.000  1.340
   39    40   300.000  1.725
   39    41   317.000  1.510
   41    42   245.000  1.781
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   320.000  1.410
   53    54   295.000  1.710
   54    55   700.000  1.530
   54    56   295.000  1.710
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    51   268.000  1.529
   51    52   340.000  1.090
   45    46   245.000  1.781
   45    47   245.000  1.781
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    51    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    75.00000  111.02000
   33    37    39    70.00000  124.00000
   33    51    43    58.35000  112.70000
   33    51    57    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    45    41    58.35000  112.70000
   33    45    46    69.00000  109.80000
   33    45    47    69.00000  109.80000
   37    39    40    75.00000  121.50000
   37    39    41    70.00000  124.00000
   39    37    38    75.00000  121.50000
   39    41    42    75.00000  111.90500
   39    41    43    70.00000  112.02700
   39    41    45    70.00000  112.02700
   41    39    40    75.00000  111.02000
   41    43    44    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    43    51    58.35000  112.70000
   41    45    46    69.00000  109.80000
   41    45    47    69.00000  109.80000
   43    41    42    69.00000  109.80000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    53    50.00000  109.50000
   43    51    57    58.35000  112.70000
   43    51    52    37.50000  110.70000
   48    43    44    37.50000  110.70000
   48    53    54   100.00000  113.63300
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    54    55   130.00000  108.94000
   53    54    56   130.00000  109.00000
   54    56    57   100.00000  113.63300
   56    54    55   130.00000  108.94000
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   56    57    51    50.00000  109.50000
   57    51    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   51    33    37    70.00000  112.02700
   51    43    44    37.50000  110.70000
   51    43    48    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   45    33    37    70.00000  112.02700
   45    33    51    58.35000  112.70000
   45    41    42    69.00000  109.80000
   45    41    43    58.35000  112.70000
   47    45    46    80.00000  110.42200
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.09700  1.0 1.0
   29    33    37    38   0.15600 -1.0 2.0
   29    33    37    38  -0.50800  1.0 3.0
   29    33    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    51    43   0.44750  1.0 1.0
   29    33    51    43  -0.17800 -1.0 2.0
   29    33    51    43   0.20200  1.0 3.0
   29    33    51    57   0.44750  1.0 1.0
   29    33    51    57  -0.17800 -1.0 2.0
   29    33    51    57   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    45    41   0.44750  1.0 1.0
   29    33    45    41  -0.17800 -1.0 2.0
   29    33    45    41   0.20200  1.0 3.0
   29    33    45    46   0.56750  1.0 1.0
   29    33    45    46  -0.07550 -1.0 2.0
   29    33    45    46   0.20000  1.0 3.0
   29    33    45    47   0.56750  1.0 1.0
   29    33    45    47  -0.07550 -1.0 2.0
   29    33    45    47   0.20000  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37   -39    41   7.00000 -1.0 2.0
   37    33    51    43   0.34400  1.0 1.0
   37    33    51    43   0.09450 -1.0 2.0
   37    33    51    43   0.11100  1.0 3.0
   37    33    51    57   0.34400  1.0 1.0
   37    33    51    57   0.09450 -1.0 2.0
   37    33    51    57   0.11100  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33   -45    41   0.34400  1.0 1.0
   37    33   -45    41   0.09450 -1.0 2.0
   37    33   -45    41   0.11100  1.0 3.0
   37    33    45    46   0.56750  1.0 1.0
   37    33    45    46  -0.07550 -1.0 2.0
   37    33    45    46   0.20000  1.0 3.0
   37    33    45    47   0.56750  1.0 1.0
   37    33    45    47  -0.07550 -1.0 2.0
   37    33    45    47   0.20000  1.0 3.0
   37    39    41    42   0.09700  1.0 1.0
   37    39    41    42   0.15600 -1.0 2.0
   37    39    41    42  -0.50800  1.0 3.0
   37    39   -41    43   0.09850  1.0 1.0
   37    39   -41    43   0.15250 -1.0 2.0
   37    39   -41    43  -0.50650  1.0 3.0
   37    39   -41    45   0.09850  1.0 1.0
   37    39   -41    45   0.15250 -1.0 2.0
   37    39   -41    45  -0.50650  1.0 3.0
   38    37    39    40   7.00000 -1.0 2.0
   38    37    39    41   7.00000 -1.0 2.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    48   0.34400  1.0 1.0
   39    41    43    48   0.09450 -1.0 2.0
   39    41    43    48   0.11100  1.0 3.0
   39    41    43    51   0.34400  1.0 1.0
   39    41    43    51   0.09450 -1.0 2.0
   39    41    43    51   0.11100  1.0 3.0
   39    41   -45    33   0.34400  1.0 1.0
   39    41   -45    33   0.09450 -1.0 2.0
   39    41   -45    33   0.11100  1.0 3.0
   39    41    45    46   0.56750  1.0 1.0
   39    41    45    46  -0.07550 -1.0 2.0
   39    41    45    46   0.20000  1.0 3.0
   39    41    45    47   0.56750  1.0 1.0
   39    41    45    47  -0.07550 -1.0 2.0
   39    41    45    47   0.20000  1.0 3.0
   40    39    41    42   0.09700  1.0 1.0
   40    39    41    42   0.15600 -1.0 2.0
   40    39    41    42  -0.50800  1.0 3.0
   40    39    41    43   0.09700  1.0 1.0
   40    39    41    43   0.15600 -1.0 2.0
   40    39    41    43  -0.50800  1.0 3.0
   40    39    41    45   0.09700  1.0 1.0
   40    39    41    45   0.15600 -1.0 2.0
   40    39    41    45  -0.50800  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    53   0.62750  1.0 1.0
   41    43    48    53  -0.30950 -1.0 2.0
   41    43    48    53   0.27300  1.0 3.0
   41    43   -51    33   0.56750  1.0 1.0
   41    43   -51    33  -0.07550 -1.0 2.0
   41    43   -51    33   0.20000  1.0 3.0
   41    43    51    57   0.56750  1.0 1.0
   41    43    51    57  -0.07550 -1.0 2.0
   41    43    51    57   0.20000  1.0 3.0
   41    43    51    52   0.15000  1.0 3.0
   42    41    43    44   0.27000  1.0 3.0
   42    41    43    48   0.35600  1.0 1.0
   42    41    43    48  -0.14650 -1.0 2.0
   42    41    43    48   0.33350  1.0 3.0
   42    41    43    51   0.35600  1.0 1.0
   42    41    43    51  -0.14650 -1.0 2.0
   42    41    43    51   0.33350  1.0 3.0
   42    41    45    33   0.35600  1.0 1.0
   42    41    45    33  -0.14650 -1.0 2.0
   42    41    45    33   0.33350  1.0 3.0
   42    41    45    46   0.22500  1.0 1.0
   42    41    45    47   0.22500  1.0 1.0
   43    41   -45    33   0.56750  1.0 1.0
   43    41   -45    33  -0.07550 -1.0 2.0
   43    41   -45    33   0.20000  1.0 3.0
   43    41    45    46   0.35600  1.0 1.0
   43    41    45    46  -0.14650 -1.0 2.0
   43    41    45    46   0.33350  1.0 3.0
   43    41    45    47   0.35600  1.0 1.0
   43    41    45    47  -0.14650 -1.0 2.0
   43    41    45    47   0.33350  1.0 3.0
   43    48    53    54   0.37500  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    53   0.23400  1.0 3.0
   44    43    51    33   0.15000  1.0 3.0
   44    43    51    57   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   48    43    51    33   0.56750  1.0 1.0
   48    43    51    33  -0.07550 -1.0 2.0
   48    43    51    33   0.20000  1.0 3.0
   48    43    51    57   0.56750  1.0 1.0
   48    43    51    57  -0.07550 -1.0 2.0
   48    43    51    57   0.20000  1.0 3.0
   48    43    51    52   0.15000  1.0 3.0
   48    53    54    55   0.00000  1.0 1.0
   48    53    54    56   0.00000  1.0 1.0
   49    48    53    54   0.37500  1.0 3.0
   50    48    53    54   0.37500  1.0 3.0
   53    54    56    57   0.00000  1.0 1.0
   54    56    57    58   0.37500  1.0 3.0
   54    56    57    59   0.37500  1.0 3.0
   54    56    57    51   0.37500  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   56    57    51    33   0.62750  1.0 1.0
   56    57    51    33  -0.30950 -1.0 2.0
   56    57    51    33   0.27300  1.0 3.0
   56    57    51    43   0.62750  1.0 1.0
   56    57    51    43  -0.30950 -1.0 2.0
   56    57    51    43   0.27300  1.0 3.0
   56    57    51    52   0.23400  1.0 3.0
   58    57    51    33   0.15000  1.0 3.0
   58    57    51    43   0.15000  1.0 3.0
   58    57    51    52   0.15000  1.0 3.0
   59    57    51    33   0.15000  1.0 3.0
   59    57    51    43   0.15000  1.0 3.0
   59    57    51    52   0.15000  1.0 3.0
   51    33    37    38   0.09700  1.0 1.0
   51    33    37    38   0.15600 -1.0 2.0
   51    33    37    38  -0.50800  1.0 3.0
   51    33   -37    39   0.09850  1.0 1.0
   51    33   -37    39   0.15250 -1.0 2.0
   51    33   -37    39  -0.50650  1.0 3.0
   51    33   -45    41   0.56750  1.0 1.0
   51    33   -45    41  -0.07550 -1.0 2.0
   51    33   -45    41   0.20000  1.0 3.0
   51    33    45    46   0.35600  1.0 1.0
   51    33    45    46  -0.14650 -1.0 2.0
   51    33    45    46   0.33350  1.0 3.0
   51    33    45    47   0.35600  1.0 1.0
   51    33    45    47  -0.14650 -1.0 2.0
   51    33    45    47   0.33350  1.0 3.0
   51    43    48    49   0.15000  1.0 3.0
   51    43    48    50   0.15000  1.0 3.0
   51    43    48    53   0.62750  1.0 1.0
   51    43    48    53  -0.30950 -1.0 2.0
   51    43    48    53   0.27300  1.0 3.0
   45    33    37    38   0.09700  1.0 1.0
   45    33    37    38   0.15600 -1.0 2.0
   45    33    37    38  -0.50800  1.0 3.0
   45    33   -37    39   0.09850  1.0 1.0
   45    33   -37    39   0.15250 -1.0 2.0
   45    33   -37    39  -0.50650  1.0 3.0
   45    33   -51    43   0.56750  1.0 1.0
   45    33   -51    43  -0.07550 -1.0 2.0
   45    33   -51    43   0.20000  1.0 3.0
   45    33    51    57   0.56750  1.0 1.0
   45    33    51    57  -0.07550 -1.0 2.0
   45    33    51    57   0.20000  1.0 3.0
   45    33    51    52   0.15000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    48   0.56750  1.0 1.0
   45    41    43    48  -0.07550 -1.0 2.0
   45    41    43    48   0.20000  1.0 3.0
   45    41   -43    51   0.56750  1.0 1.0
   45    41   -43    51  -0.07550 -1.0 2.0
   45    41   -43    51   0.20000  1.0 3.0
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    39   1.10000 -1.0 2.0
   41    40    39    37   1.10000 -1.0 2.0
END
