* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    127    205     382
    1     0 S   NP   _N1_     1    30.30210    92.54756   -17.54908
    2     1 S   H    _HN1     2     1.02845    16.88764    75.60772
    3     1 S   H    _H1_     3     1.02784   112.64820    -1.70674
    4     1 S   H    _H2_     4     1.03517   118.88690   124.41619
    5     1 S   CT   _CA1     5     1.50308    94.43487  -118.23863
    6     5 S   HC   _HA1     6     1.09685   104.63985    61.36697
    7     5 S   CO3  _C1_     7     1.54390   111.07493   -54.53552
    8     7 S   O2Z  _O11     8     1.26059   116.75640  -116.92764
    9     7 S   O2Z  _O12     9     1.26605   113.77940    62.32540
   10     5 S   CT   _CB1    10     1.53033   106.94262   177.32299
   11    10 S   HC   HB11    11     1.09864   109.85870   -44.45062
   12    10 S   HC   HB12    12     1.09748   109.97204    71.69816
   13    10 S   CT   _CG1    13     1.53180   112.66354  -165.19499
   14    13 S   HC   HG11    14     1.09475   111.81998   -62.68865
   15    13 S   HC   HG12    15     1.09609   110.40455    56.64848
   16    13 S   C    _CD1    16     1.51410   110.37943   176.21830
   17    16 S   O    _OE1    17     1.22808   121.75417  -105.88202
   18    16 S   N    _N2_    18     1.38387   112.72455    73.09275
   19    18 S   H    _HN2    19     1.01616   118.99844     4.08730
   20    18 S   CT1  _CA2    20     1.46228   123.44485  -173.76473
   21    20 S   HC   _HA2    21     1.09733   109.42174    -9.62860
   22    20 S   C    _C2_    22     1.53344   108.54405  -125.54763
   23    22 S   O    _O2_    23     1.23017   122.28995  -145.61736
   24    20 S   CT   _CB2    32     1.53726   111.02627   112.13717
   25    24 S   HC   HB21    33     1.09336   108.74230    56.74062
   26    24 S   HC   HB22    34     1.09394   110.08811   175.64585
   27    22 S   N    _N3_    24     1.38530   113.40235    41.87279
   28    27 S   H    _HN3    25     1.01525   118.93589    -0.77430
   29    24 S   S    _SG2    35     1.82940   110.88301   -63.95817
   30    27 S   CT   _CA3    26     1.45427   123.25528   175.20968
   31    30 S   HC   HA31    27     1.09540   108.97227    29.18217
   32    30 S   HC   HA32    28     1.09490   107.18201   146.11981
   33    29 S   CT   _C6_    36     1.91624   102.68863   176.89814
   34    30 S   CO3  _C3_    29     1.52939   113.32797   -94.12670
   35    34 S   O2Z  _O31    30     1.26387   115.50303   -43.21985
   36    34 S   O2Z  _O32    31     1.26376   114.93181   137.75413
   37    33 S   CM   _C7_    37     1.50253   104.80690    68.02046
   38    37 S   HC   _H8_    38     1.08820   117.11450   -80.30551
   39    33 S   CT   _C5_    52     1.55078   112.36232   -53.75658
   40    39 S   HC   _H3_    53     1.09741   109.14630    57.27537
   41    37 S   CM   _C8_    39     1.33797   124.30853    98.53727
   42    39 S   CO3  _C17    54     1.55183   118.27699   174.96791
   43    42 S   O2Z  _O40    55     1.26043   116.94245    13.98569
   44    42 S   O2Z  _O39    56     1.26735   114.34766  -165.50842
   45    41 S   CO4  _C9_    40     1.49330   119.07127    -0.45197
   46    45 S   O    _O33    41     1.23337   118.81372  -167.69606
   47    41 S   CT   _C14    60     1.51104   122.67931  -175.59905
   48    47 S   HC   _H10    61     1.09831   110.07595    17.75186
   49    47 S   HC   _H11    62     1.09880   108.02431   131.54062
   50    45 S   CMA  _C10    42     1.52319   119.67891    13.65366
   51    50 S   OM   _O36    43     1.26704   114.15937   167.78365
   52    47 S   CT1  _C15    63     1.53360   112.93242  -106.32175
   53    52 S   HC   _H5_    64     1.09709   110.20218   -45.64016
   54    33 S   CM   _C11    44     1.53247   103.19430  -173.34457
   55    52 S   CO3  _C16    65     1.54766   115.83888    77.92840
   56    55 S   O2Z  _O38    66     1.26290   116.66003    18.41102
   57    55 S   O2Z  _O37    67     1.26752   114.29096  -162.49058
   58    52 S   NT   _N5_    68     1.47382   109.13549  -164.26931
   59    58 S   H    _H12    69     1.02056   108.68529   176.61667
   60    58 S   H    _H13    70     1.01919   109.10740    61.37608
   61    54 S   NE   _N4_    45     1.39829   115.24693    81.63410
   62    61 S   H    _H9_    46     1.01918   113.50416  -174.95725
   63    61 S   CT1  _C12    47     1.45524   126.33926    30.24290
   64    63 S   HC   _H4_    48     1.09767   107.88643    87.45110
   65    63 S   CT   _C4_    49     1.52881   111.64368   -31.86636
   66    65 S   HC   _H6_    50     1.09667   110.39157   -78.85312
   67    65 S   HC   _H7_    51     1.09780   108.96253   166.49178
   68    63 S   CO3  _C13    57     1.54186   107.42448  -158.25512
   69    68 S   O2Z  _O35    58     1.26492   116.50353   131.27734
   70    68 S   O2Z  _O34    59     1.26643   115.40901   -49.67686
  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
  19   2   1   1  15   5  14   8  12   7   2   1   9   4  11   5
   4   5   2   7   6   6   5   2   1   2   1   1   9   4   7   6
   5   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    54    61    65    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    45    50    51    54    61    62    63    65    66    67    39    40    42    43    44    47  
   35    36  
   36  
    0  
   38    41    45    46    50    54    61    65    39    40    42    47    48    49    52  
   41    45    54    39    47  
   40    42    43    44    68    41    50    54    61    63    64    65    66    67  
   42    43    44    54    63    65    66    67  
   45    46    50    51    54    47    48    49    52    53    55    58  
   43    44    54    63    65    66    67  
   44    65  
   65  
   46    50    51    54    61    47    48    49    52  
   50    51    54    47  
   48    49    52    53    55    56    57    58    59    60    50  
   49    52    53    55    58  
   52    53    55    58  
   51    54    61    62    63  
   54    61  
   53    55    56    57    58    59    60  
   55    56    57    58    59    60  
   61    62    63    64    65    68  
   56    57    58    59    60  
   57    58  
   58  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    69    70  
   63    64    65    68  
   64    65    66    67    68    69    70  
   65    66    67    68    69    70  
   66    67    68    69    70  
   67    68  
   68  
   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   0.167500   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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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    54   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    45   320.000  1.462
   41    47   317.000  1.510
   45    46   570.000  1.229
   45    50   270.000  1.476
   50    51   745.000  1.250
   50    54   465.000  1.376
   54    61   425.000  1.378
   61    62   434.000  1.010
   61    63   382.000  1.448
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.522
   42    43   656.000  1.250
   42    44   656.000  1.250
   68    69   656.000  1.250
   68    70   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.522
   52    58   305.000  1.457
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   434.000  1.010
   58    60   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    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    54    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    54    50    70.00000  124.00000
   33    54    61    75.00000  116.24600
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    70.00000  109.69300
   37    41    45    65.00000  118.96000
   37    41    47    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    45    46    80.00000  123.72100
   41    45    50    65.00000  118.65900
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    52    70.00000  112.02700
   45    50    51    85.00000  116.28000
   45    50    54    65.00000  114.61000
   50    45    46    80.00000  120.81000
   50    54    61    70.00000  124.03900
   54    33    37    70.00000  110.12100
   54    50    51    65.00000  137.10300
   54    61    62    35.00000  114.50000
   54    61    63    50.00000  121.00000
   61    63    64    35.00000  109.50000
   61    63    65    80.00000  111.61500
   61    63    68    63.00000  110.10000
   63    61    62    35.00000  112.50000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    39    58.35000  112.70000
   63    68    69    70.00000  117.00000
   63    68    70    70.00000  117.00000
   65    63    64    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    42    70.00000  109.69300
   67    65    66    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    54    70.00000  112.02700
   39    65    66    37.50000  110.70000
   39    65    67    37.50000  110.70000
   39    42    43    70.00000  117.00000
   39    42    44    70.00000  117.00000
   42    39    40    35.00000  109.50000
   44    42    43    80.00000  126.00000
   68    63    64    35.00000  109.50000
   68    63    65    63.00000  111.10000
   70    68    69    80.00000  126.00000
   47    41    45    65.00000  116.34900
   47    52    53    37.50000  110.70000
   47    52    55    63.00000  111.10000
   47    52    58    80.00000  111.22000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    55    56    70.00000  117.00000
   52    55    57    70.00000  117.00000
   52    58    59    50.00000  111.55300
   52    58    60    50.00000  111.55300
   55    52    53    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    52    53    50.00000  109.55000
   58    52    55    75.00000  111.54000
   60    58    59    43.60000  106.40000
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    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   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
   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    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    54    50   0.42700  1.0 1.0
   29    33    54    50  -0.70350 -1.0 2.0
   29    33    54    50  -0.43150  1.0 3.0
   29    33    54    61   0.09700  1.0 1.0
   29    33    54    61   0.15600 -1.0 2.0
   29    33    54    61  -0.50800  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    54    61    62   2.40850 -1.0 2.0
   33    54    61    63   1.00000 -1.0 2.0
   33    39    42    43   0.41150 -1.0 2.0
   33    39    42    44   0.41150 -1.0 2.0
   37    33    54    50  -0.28300  1.0 1.0
   37    33    54    50   0.26700 -1.0 2.0
   37    33    54    50  -0.63300  1.0 3.0
   37    33    54    61  -1.35150  1.0 1.0
   37    33    54    61   0.13900 -1.0 2.0
   37    33    54    61   0.25250  1.0 3.0
   37    33    39    65   0.34400  1.0 1.0
   37    33    39    65   0.09450 -1.0 2.0
   37    33    39    65   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41    45    46   1.00000 -1.0 2.0
   37    41   -45    50  -1.18350  1.0 1.0
   37    41   -45    50   1.45950 -1.0 2.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41    47    52   0.09850  1.0 1.0
   37    41    47    52   0.15250 -1.0 2.0
   37    41    47    52  -0.50650  1.0 3.0
   38    37    41    45   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    45    50    51   1.50000 -1.0 2.0
   41    45    50    54  -1.18350  1.0 1.0
   41    45    50    54   1.45950 -1.0 2.0
   41    47    52    53   0.15000  1.0 3.0
   41    47    52    55  -0.98800  1.0 1.0
   41    47    52    55   0.48800 -1.0 2.0
   41    47    52    55   0.76800  1.0 3.0
   41    47    52    58   0.59950  1.0 1.0
   41    47    52    58  -0.21400 -1.0 2.0
   41    47    52    58   0.56200  1.0 3.0
   45    41    47    48   0.15000  1.0 3.0
   45    41    47    49   0.15000  1.0 3.0
   45    41    47    52   0.09700  1.0 1.0
   45    41    47    52   0.15600 -1.0 2.0
   45    41    47    52  -0.50800  1.0 3.0
   45    50   -54    33   7.00000 -1.0 2.0
   45    50    54    61   7.00000 -1.0 2.0
   46    45    50    51  -0.11900  1.0 1.0
   46    45    50    51   0.76850 -1.0 2.0
   46    45    50    51   0.14100  1.0 3.0
   46    45    50    54   1.00000 -1.0 2.0
   50    54    61    62   1.00000 -1.0 2.0
   50    54    61    63  -0.54700  1.0 1.0
   50    54    61    63   1.23000 -1.0 2.0
   51    50    54    33   7.00000 -1.0 2.0
   51    50    54    61   7.00000 -1.0 2.0
   54    33    37    38   0.00000  1.0 1.0
   54    33   -37    41  -0.28300  1.0 1.0
   54    33   -37    41   0.26700 -1.0 2.0
   54    33   -37    41  -0.63300  1.0 3.0
   54    33    39    65   0.34400  1.0 1.0
   54    33    39    65   0.09450 -1.0 2.0
   54    33    39    65   0.11100  1.0 3.0
   54    33    39    40   0.15000  1.0 3.0
   54    33    39    42  -0.98800  1.0 1.0
   54    33    39    42   0.48800 -1.0 2.0
   54    33    39    42   0.76800  1.0 3.0
   54    61    63    64   0.00000  1.0 1.0
   54    61   -63    65   0.25450  1.0 1.0
   54    61   -63    65  -0.61700 -1.0 2.0
   54    61   -63    65  -0.23550  1.0 3.0
   54    61    63    68  -0.12500  1.0 1.0
   54    61    63    68  -0.12500 -1.0 2.0
   54    61    63    68   0.25000  1.0 3.0
   61    63    65    66   0.22950  1.0 3.0
   61    63    65    67   0.22950  1.0 3.0
   61    63    65    39   1.26750  1.0 1.0
   61    63    65    39  -0.00950 -1.0 2.0
   61    63    65    39   0.30600  1.0 3.0
   61    63    68    69   0.00000  1.0 1.0
   61    63    68    70   0.00000  1.0 1.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.00000  1.0 1.0
   63    65   -39    33   0.56750  1.0 1.0
   63    65   -39    33  -0.07550 -1.0 2.0
   63    65   -39    33   0.20000  1.0 3.0
   63    65    39    40   0.15000  1.0 3.0
   63    65    39    42  -0.84850  1.0 1.0
   63    65    39    42  -0.22800 -1.0 2.0
   63    65    39    42   0.29250  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    39   0.15000  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    70   0.00000  1.0 1.0
   65    39    42    43   0.41150 -1.0 2.0
   65    39    42    44   0.41150 -1.0 2.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    42  -0.11250  1.0 3.0
   67    65    39    33   0.15000  1.0 3.0
   67    65    39    40   0.15000  1.0 3.0
   67    65    39    42  -0.11250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    54    50   0.09850  1.0 1.0
   39    33    54    50   0.15250 -1.0 2.0
   39    33    54    50  -0.50650  1.0 3.0
   39    33   -54    61  -0.93550  1.0 1.0
   39    33   -54    61   0.38900 -1.0 2.0
   39    33   -54    61   0.16950  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   68    63    65    66  -0.03800  1.0 3.0
   68    63    65    67  -0.03800  1.0 3.0
   68    63    65    39  -0.84850  1.0 1.0
   68    63    65    39  -0.22800 -1.0 2.0
   68    63    65    39   0.29250  1.0 3.0
   47    41    45    46  -0.64400  1.0 1.0
   47    41    45    46   0.26850 -1.0 2.0
   47    41    45    50   1.50000 -1.0 2.0
   47    52    55    56   0.00000  1.0 1.0
   47    52    55    57   0.00000  1.0 1.0
   47    52    58    59  -0.05950  1.0 1.0
   47    52    58    59   0.08850 -1.0 2.0
   47    52    58    59   0.11750  1.0 3.0
   47    52    58    60  -0.05950  1.0 1.0
   47    52    58    60   0.08850 -1.0 2.0
   47    52    58    60   0.11750  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55  -0.03800  1.0 3.0
   48    47    52    58   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55  -0.03800  1.0 3.0
   49    47    52    58   0.15000  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    58    59   0.20000  1.0 3.0
   53    52    58    60   0.20000  1.0 3.0
   55    52    58    59   0.21900  1.0 1.0
   55    52    58    59  -0.24900 -1.0 2.0
   55    52    58    59   0.15200  1.0 3.0
   55    52    58    60   0.21900  1.0 1.0
   55    52    58    60  -0.24900 -1.0 2.0
   55    52    58    60   0.15200  1.0 3.0
   58    52    55    56   0.30150 -1.0 2.0
   58    52    55    57   0.30150 -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    41   1.10000 -1.0 2.0
   45    47    41    37   1.10000 -1.0 2.0
   41    50    45    46  10.50000 -1.0 2.0
   45    51    50    54   1.10000 -1.0 2.0
   33    61    54    50   1.10000 -1.0 2.0
   62    54    61    63   1.00000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
   69    63    68    70  10.50000 -1.0 2.0
   56    52    55    57  10.50000 -1.0 2.0
END
