* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    185     348
    1     0 S   NP   _N1_     1    28.94967    95.02783   -25.76554
    2     1 S   H    _HN1     2     1.02950    80.03162     5.99590
    3     1 S   H    _H1_     3     1.02828    27.06442  -173.23673
    4     1 S   H    _H2_     4     1.02790   118.13964   -99.58691
    5     1 S   CT   _CA1     5     1.50120   121.72604   113.91596
    6     5 S   HC   _HA1     6     1.09574   105.18574    86.97146
    7     5 S   CO3  _C1_     7     1.53778   112.42569   -33.26782
    8     7 S   O2Z  _O11     8     1.26377   115.00460   -43.29426
    9     7 S   O2Z  _O12     9     1.26233   114.93912   135.74245
   10     5 S   CT   _CB1    10     1.53063   107.40804  -155.05530
   11    10 S   HC   HB11    11     1.09839   109.36299   -49.48342
   12    10 S   HC   HB12    12     1.09813   110.45746    67.11252
   13    10 S   CT   _CG1    13     1.53012   112.63196  -170.42878
   14    13 S   HC   HG11    14     1.09576   110.69154   -66.17189
   15    13 S   HC   HG12    15     1.09669   109.74793    53.08438
   16    13 S   C    _CD1    16     1.51808   112.06810   173.55564
   17    16 S   O    _OE1    17     1.22750   123.21397     9.65797
   18    16 S   N    _N2_    18     1.38651   111.78888  -170.40989
   19    18 S   H    _HN2    19     1.01582   118.98962     1.49959
   20    18 S   CT1  _CA2    20     1.46236   123.36495   177.31358
   21    20 S   HC   _HA2    21     1.09738   109.28281     6.21937
   22    20 S   C    _C2_    22     1.53641   108.84414  -109.30381
   23    22 S   O    _O2_    23     1.23076   122.25084  -148.83160
   24    20 S   CT   _CB2    32     1.53401   111.61138   128.14984
   25    24 S   HC   HB21    33     1.09488   109.76166    57.36985
   26    24 S   HC   HB22    34     1.09472   109.87541   176.25033
   27    22 S   N    _N3_    24     1.38317   113.83872    38.65961
   28    27 S   H    _HN3    25     1.01555   119.60931    -3.28509
   29    24 S   S    _SG2    35     1.82919   111.31094   -63.84722
   30    27 S   CT   _CA3    26     1.45285   123.25669   177.15931
   31    30 S   HC   HA31    27     1.09548   107.50109   -64.91456
   32    30 S   HC   HA32    28     1.09555   108.00569    51.53841
   33    29 S   CT   _C17    36     1.86345   100.48550   179.38738
   34    30 S   CO3  _C3_    29     1.52971   114.05504   173.53592
   35    34 S   O2Z  _O31    30     1.26382   116.07042    -0.87290
   36    34 S   O2Z  _O32    31     1.26429   114.41192   179.19400
   37    33 S   CM   _C11    37     1.50010   107.98091   -72.83106
   38    37 S   HC   _H27    38     1.09036   115.81355    78.39119
   39    33 S   OS   _O19    64     1.42780   109.62519    49.68078
   40    37 S   CMA  _C13    39     1.35002   126.25489  -103.89269
   41    40 S   OM   _O17    40     1.26023   127.54939  -177.62603
   42    39 S   CT   _C18    65     1.42289   115.86261  -179.97202
   43    42 S   HC   _H31    66     1.09372   107.84878  -176.13740
   44    42 S   HC   _H32    67     1.09355   111.09094    65.84397
   45    42 S   HC   _H33    68     1.09332   111.58782   -57.57672
   46    40 S   CM   _C12    41     1.49441   118.68370     2.34735
   47    46 S   CM   _C10    42     1.35008   119.96244    -8.95519
   48    47 S   HC   _H26    43     1.08372   122.77339  -178.11893
   49    46 S   CT   _C19    46     1.55778   120.28521   169.87525
   50    49 S   HC   _H34    47     1.10032   106.77226   -34.82629
   51    33 S   CO4  _C14    44     1.53040   104.46297   168.15011
   52    51 S   O    _O18    45     1.23201   122.65151   -79.14993
   53    49 S   CA   _C9_    48     1.52999   113.00670    83.17386
   54    49 S   CM   _C16    59     1.52369   114.17898  -149.89078
   55    54 S   HC   _H30    60     1.08794   118.06466   -75.29371
   56    53 S   CA   _C7_    49     1.40466   121.84183    55.05923
   57    56 S   HA   _H24    50     1.08649   120.70856    -0.56924
   58    54 S   CM   _C15    61     1.33939   124.09327   105.62633
   59    58 S   HC   _H28    62     1.08462   120.48552   179.57479
   60    58 S   HC   _H29    63     1.08464   121.62528    -0.64921
   61    56 S   CA   _C5_    51     1.39661   120.69083   179.23613
   62    61 S   HA   _H22    52     1.08624   119.88130   179.81129
   63    61 S   CA   _C4_    53     1.39291   120.14501    -0.27483
   64    63 S   HA   _H21    54     1.08600   120.06347   179.96574
   65    63 S   CA   _C6_    55     1.39271   119.88260    -0.12511
   66    65 S   HA   _H23    56     1.08618   120.02492  -179.91607
   67    53 S   CA   _C8_    57     1.40486   119.71826  -126.39428
   68    67 S   HA   _H25    58     1.08746   120.32204     1.03741
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   2   1   1  10   5   8   9   3   4   2   1   1  12   7   3
  14   6   1   1  12   6   3   8   4   2   1   1   6   3   5   3
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    51    52    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    51    52    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    51    52    49    39    42  
   40    41    46    51    39  
   42    43    44    45    40    47    51    52  
   41    46    47    48    51    49    50    53    54  
   46    47    49  
   43    44    45    51  
   44    45  
   45  
    0  
   47    48    51    52    49    50    53    56    67    54    55    58  
   48    51    52    49    50    53    54  
   51    52    49  
   50    53    56    57    61    65    67    68    54    55    58    59    60    51  
   53    56    67    54    55    58  
   52  
    0  
   56    57    61    62    63    65    66    67    68    54    55    58  
   55    58    59    60    56    67  
   58    59    60  
   57    61    62    63    64    65    67    68  
   61    62    63    67  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67    68  
   65    66    67  
   66    67    68  
   67    68  
   68  
    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  -0.316400   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   0.465900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.522
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   549.000  1.340
   46    49   317.000  1.510
   47    48   340.000  1.080
   47    51   320.000  1.462
   51    52   570.000  1.229
   49    50   340.000  1.090
   49    53   317.000  1.510
   49    54   317.000  1.510
   53    56   469.000  1.400
   53    67   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
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  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    51    47    65.00000  118.62400
   33    51    52    80.00000  120.40000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    46    47    70.00000  117.34000
   40    46    49    70.00000  124.00000
   46    40    41    65.00000  137.10300
   46    47    48    35.00000  120.00000
   46    47    51    65.00000  118.96000
   46    49    50    35.00000  109.50000
   46    49    53    70.00000  112.99600
   46    49    54    70.00000  110.12100
   47    51    52    80.00000  123.72100
   51    33    37    70.00000  109.06800
   51    47    48    40.00000  117.72500
   49    46    47    70.00000  124.00000
   49    53    56    70.00000  120.00000
   49    53    67    70.00000  120.00000
   49    54    55    35.00000  117.00000
   49    54    58    70.00000  124.00000
   53    49    50    35.00000  109.50000
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   53    67    65    63.00000  120.00000
   53    67    68    35.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    63    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   67    53    56    63.00000  120.00000
   67    65    66    35.00000  120.00000
   54    49    50    35.00000  109.50000
   54    49    53    70.00000  112.99600
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   58    54    55    35.00000  120.00000
   60    58    59    35.00000  117.00000
   39    33    37    85.00000  110.90400
   39    33    51    90.00000  108.74100
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    47   0.65300  1.0 1.0
   29    33    51    47  -0.03850 -1.0 2.0
   29    33    51    47   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    51    47   0.65300  1.0 1.0
   37    33    51    47  -0.03850 -1.0 2.0
   37    33    51    47   0.33900  1.0 3.0
   37    33    51    52   0.30150 -1.0 2.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47   7.00000 -1.0 2.0
   37    40    46    49   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   7.00000 -1.0 2.0
   40    46    47    51   7.00000 -1.0 2.0
   40    46    49    50   0.00000  1.0 1.0
   40    46    49    53   1.44450  1.0 1.0
   40    46    49    53   0.06600 -1.0 2.0
   40    46    49    53   0.29250  1.0 3.0
   40    46    49    54  -0.28300  1.0 1.0
   40    46    49    54   0.26700 -1.0 2.0
   40    46    49    54  -0.63300  1.0 3.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    49   7.00000 -1.0 2.0
   46    47   -51    33  -0.33500  1.0 1.0
   46    47   -51    33   1.06600 -1.0 2.0
   46    47   -51    33  -0.14000  1.0 3.0
   46    47    51    52   1.00000 -1.0 2.0
   46    49    53    56   0.18050 -1.0 2.0
   46    49    53    67   0.18050 -1.0 2.0
   46    49    54    55   0.00000  1.0 1.0
   46    49    54    58  -0.28300  1.0 1.0
   46    49    54    58   0.26700 -1.0 2.0
   46    49    54    58  -0.63300  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   1.44450  1.0 1.0
   47    46    49    53   0.06600 -1.0 2.0
   47    46    49    53   0.29250  1.0 3.0
   47    46    49    54  -0.28300  1.0 1.0
   47    46    49    54   0.26700 -1.0 2.0
   47    46    49    54  -0.63300  1.0 3.0
   48    47    51    33   0.04550  1.0 1.0
   48    47    51    33   0.83000 -1.0 2.0
   48    47    51    33  -0.04000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40  -0.51250  1.0 1.0
   51    33   -37    40  -0.88800 -1.0 2.0
   51    33   -37    40   0.08850  1.0 3.0
   51    33    39    42  -1.11000  1.0 1.0
   51    33    39    42   0.50250 -1.0 2.0
   51    33    39    42   0.47450  1.0 3.0
   49    46    47    48   7.00000 -1.0 2.0
   49    46    47    51   7.00000 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53    56    61   3.62500 -1.0 2.0
   49    53    67    65   3.62500 -1.0 2.0
   49    53    67    68   3.62500 -1.0 2.0
   49    54    58    59   7.00000 -1.0 2.0
   49    54    58    60   7.00000 -1.0 2.0
   50    49    53    56   0.00000  1.0 1.0
   50    49    53    67   0.00000  1.0 1.0
   50    49    54    55   0.33100  1.0 3.0
   50    49    54    58   0.00000  1.0 1.0
   53    49    54    55   0.00000  1.0 1.0
   53    49    54    58   1.44450  1.0 1.0
   53    49    54    58   0.06600 -1.0 2.0
   53    49    54    58   0.29250  1.0 3.0
   53    56    61    62   3.62500 -1.0 2.0
   53    56    61    63   3.62500 -1.0 2.0
   56    53    67    65   3.62500 -1.0 2.0
   56    53    67    68   3.62500 -1.0 2.0
   56    61    63    64   3.62500 -1.0 2.0
   56    61   -63    65   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65   -67    53   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   66    65    67    53   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    53    56    57   3.62500 -1.0 2.0
   67    53   -56    61   3.62500 -1.0 2.0
   54    49    53    56   0.18050 -1.0 2.0
   54    49    53    67   0.18050 -1.0 2.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    60   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    51    47   0.65300  1.0 1.0
   39    33    51    47  -0.03850 -1.0 2.0
   39    33    51    47   0.33900  1.0 3.0
   39    33    51    52   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    49    46    47   1.10000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   33    47    51    52  10.50000 -1.0 2.0
   56    67    53    49   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   63    62    61    56   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    53   1.10000 -1.0 2.0
   49    55    54    58  15.00000 -1.0 2.0
   59    60    58    54  15.00000 -1.0 2.0
END
