* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    132    210     391
    1     0 S   NP   _N1_     1    27.99937    94.86804   -24.53633
    2     1 S   H    _HN1     2     1.02957    85.89247    -0.12820
    3     1 S   H    _H1_     3     1.02836    22.63566   159.43381
    4     1 S   H    _H2_     4     1.02778   108.39403  -108.08397
    5     1 S   CT   _CA1     5     1.50137   127.56829   112.55995
    6     5 S   HC   _HA1     6     1.09575   105.21790    76.74184
    7     5 S   CO3  _C1_     7     1.53781   112.27175   -43.46641
    8     7 S   O2Z  _O11     8     1.26367   115.00283   -45.58352
    9     7 S   O2Z  _O12     9     1.26221   114.92377   133.40450
   10     5 S   CT   _CB1    10     1.53081   107.40850  -165.35820
   11    10 S   HC   HB11    11     1.09831   109.35282   -50.22161
   12    10 S   HC   HB12    12     1.09817   110.42754    66.32380
   13    10 S   CT   _CG1    13     1.53038   112.69035  -171.25526
   14    13 S   HC   HG11    14     1.09591   110.54467   -64.16707
   15    13 S   HC   HG12    15     1.09655   109.90179    55.06795
   16    13 S   C    _CD1    16     1.51845   112.18531   175.45929
   17    16 S   O    _OE1    17     1.22771   123.24076     2.20051
   18    16 S   N    _N2_    18     1.38555   111.82755  -177.90314
   19    18 S   H    _HN2    19     1.01578   119.11486     4.30798
   20    18 S   CT1  _CA2    20     1.45810   122.75050   178.14291
   21    20 S   HC   _HA2    21     1.09755   108.84389    25.05728
   22    20 S   C    _C2_    22     1.52990   107.32942   -91.74994
   23    22 S   O    _O2_    23     1.22951   123.17454   -23.94487
   24    20 S   CT   _CB2    32     1.53328   112.29895   148.10152
   25    24 S   HC   HB21    33     1.09475   109.92538    54.35758
   26    24 S   HC   HB22    34     1.09307   109.46094   173.13447
   27    22 S   N    _N3_    24     1.38533   112.42780   158.63926
   28    27 S   H    _HN3    25     1.01657   120.29109    -2.47314
   29    24 S   S    _SG2    35     1.82665   110.73512   -66.78612
   30    27 S   CT   _CA3    26     1.45343   122.60757   178.37864
   31    30 S   HC   HA31    27     1.09564   107.98181   -52.26446
   32    30 S   HC   HA32    28     1.09555   107.48713    64.12498
   33    29 S   CT   _C15    36     1.87712   101.67366  -179.94405
   34    30 S   CO3  _C3_    29     1.52909   114.23134  -174.23551
   35    34 S   O2Z  _O31    30     1.26348   116.04716     0.86230
   36    34 S   O2Z  _O32    31     1.26429   114.41973  -179.20919
   37    33 S   CM   _C6_    37     1.54442   106.61967  -178.31379
   38    37 S   CMA  _C7_    38     1.37201   123.21036   -87.83670
   39    38 S   OM   _O37    39     1.26693   127.25339  -175.45498
   40    37 S   CT   _C5_    54     1.53879   110.39219    94.72175
   41    40 S   HC   _H3_    55     1.09875   107.31159   -53.23985
   42    38 S   CA   _C8_    40     1.53226   114.76499     4.82787
   43    40 S   OS   _O34    56     1.43834   110.90015    63.37983
   44    40 S   CT   _C4_    68     1.52789   120.33289  -172.45051
   45    44 S   HC   _H5_    69     1.09522   111.72470   -68.55748
   46    44 S   HC   _H6_    70     1.09690   109.68755   174.79293
   47    44 S   HC   _H7_    71     1.09408   111.99801    55.41069
   48    42 S   CA   _C9_    41     1.41046   120.08832   -24.71706
   49    43 S   CT   _C17    57     1.42986   115.98404   -38.61411
   50    49 S   HC   _H4_    58     1.09710   106.03195    97.06484
   51    48 S   CA   _C10    42     1.40518   121.43238  -177.57037
   52    51 S   HA   _H8_    43     1.08726   120.35866   179.42189
   53    33 S   CT   _C14    51     1.54000   112.17437    62.56804
   54    53 S   HC   _H12    52     1.09533   111.27530   -58.57380
   55    53 S   HC   _H13    53     1.09840   110.82298  -175.95165
   56    33 S   CT   _C16    59     1.55118   109.13753   -58.61856
   57    56 S   HC   _H14    60     1.09720   110.77303    87.39037
   58    56 S   HC   _H15    61     1.09802   110.01125   -30.45831
   59    49 S   CT   _C18    62     1.52891   108.91457  -148.71826
   60    59 S   HC   _H16    63     1.09726   109.91646   -49.39016
   61    59 S   HC   _H17    64     1.09702   109.59666  -166.82015
   62    51 S   CA   _C11    44     1.38987   120.45087    -1.38084
   63    62 S   HA   _H9_    45     1.08574   120.19441  -179.41316
   64    59 S   CO3  _C19    65     1.52986   113.40719    71.29238
   65    64 S   O2Z  _O36    66     1.26242   115.50977   -79.35405
   66    64 S   O2Z  _O35    67     1.26401   114.84521   101.54034
   67    62 S   CA   _C12    46     1.38859   119.56855     0.20271
   68    67 S   HA   _H10    47     1.08660   119.72615  -179.57572
   69    42 S   CA   _C13    48     1.41541   123.47763   156.14352
   70    69 S   OH   _O33    49     1.37322   122.90980    -2.27219
   71    70 S   HO   _H11    50     0.97566   107.12577     5.22450
  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
  19   2   1   1  19  13   4  12   6  12  13   4   2   1   1  11
  11   7   9   4   7   2   1   6   2   1   5   4   3   5   3   2
   1   1   4   2   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    53    56    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    53    54    55    40    49    56    57    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    48    51    53    54    55    40    41    43    49    50    56    57    58    59    44  
   35    36  
   36  
    0  
   38    39    42    48    69    53    54    55    40    41    43    49    56    57    58    44    45    46    47  
   39    42    48    51    67    69    70    53    40    41    43    56    44  
   42    48    69    40  
   41    43    49    50    56    59    44    45    46    47    42    53  
   43    49    44    45    46    47  
   48    51    52    62    67    68    69    70    71    53    54    55  
   49    50    56    57    58    59    60    61    64    44    45    46    47  
   45    46    47    49  
   46    47  
   47  
    0  
   51    52    62    63    67    69    70    53    54    55    56  
   50    56    57    58    59    60    61    64    65    66    53  
   56    57    58    59    60    61    64  
   52    62    63    67    68    69    53    54    55  
   62    63    67    53  
   54    55    56    57    58    62    69  
   55    56  
   56  
   57    58    59    60    61    64  
   58    59  
   59  
   60    61    64    65    66  
   61    64    65    66  
   64    65    66  
   63    67    68    69    70  
   67    68    69  
   65    66  
   66  
    0  
   68    69    70    71  
   69    70  
   70    71  
   71  
    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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    53   268.000  1.529
   33    56   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    42   320.000  1.460
   42    48   469.000  1.400
   42    69   469.000  1.400
   48    51   469.000  1.400
   48    53   317.000  1.510
   51    52   367.000  1.080
   51    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   450.000  1.364
   70    71   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   40    41   340.000  1.090
   40    43   320.000  1.410
   40    44   268.000  1.529
   43    49   320.000  1.410
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    53    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    53    48    70.00000  112.17500
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    56    49    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   37    38    39    65.00000  137.10300
   37    38    42    60.00000  123.20500
   37    40    41    35.00000  109.50000
   37    40    43    85.00000  110.90400
   37    40    44    70.00000  112.02700
   38    42    48    60.00000  120.93500
   38    42    69    60.00000  120.93500
   42    38    39    85.00000  114.86500
   42    48    51    63.00000  120.00000
   42    48    53    70.00000  120.00000
   42    69    67    63.00000  120.00000
   42    69    70    70.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    62    63.00000  120.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   51    62    63    35.00000  120.00000
   51    62    67    63.00000  120.00000
   62    51    52    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    69    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    69    70    70.00000  120.00000
   69    42    48    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  113.00000
   53    33    37    70.00000  112.02700
   53    48    51    70.00000  120.00000
   55    53    54    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    43    49    60.00000  109.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   43    40    41    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    56    50.00000  109.50000
   43    49    59    50.00000  109.50000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    64    70.00000  109.69300
   56    33    37    70.00000  112.02700
   56    33    53    58.35000  112.70000
   56    49    50    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    56    58.35000  112.70000
   59    64    65    70.00000  117.00000
   59    64    66    70.00000  117.00000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   66    64    65    80.00000  126.00000
   44    40    41    37.50000  110.70000
   44    40    43    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    56    49   0.44750  1.0 1.0
   29    33    56    49  -0.17800 -1.0 2.0
   29    33    56    49   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    43   0.09700  1.0 1.0
   33    37    40    43   0.15600 -1.0 2.0
   33    37    40    43  -0.50800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   37    33    53    48   0.21200  1.0 1.0
   37    33    53    48   0.16900 -1.0 2.0
   37    33    53    48  -1.15100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    56    49   0.34400  1.0 1.0
   37    33    56    49   0.09450 -1.0 2.0
   37    33    56    49   0.11100  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    38   -42    48   0.15800  1.0 1.0
   37    38   -42    48   1.85350 -1.0 2.0
   37    38   -42    48  -0.48700  1.0 3.0
   37    38    42    69   0.15800  1.0 1.0
   37    38    42    69   1.85350 -1.0 2.0
   37    38    42    69  -0.48700  1.0 3.0
   37    40   -43    49  -0.77900  1.0 1.0
   37    40   -43    49  -0.36900 -1.0 2.0
   37    40   -43    49   0.40400  1.0 3.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40    44    47   0.15000  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    43   0.39000  1.0 1.0
   38    37    40    43  -0.05800 -1.0 2.0
   38    37    40    43  -0.55150  1.0 3.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    42    48    51   3.62500 -1.0 2.0
   38    42    48    53   3.62500 -1.0 2.0
   38    42    69    67   3.62500 -1.0 2.0
   38    42    69    70   3.62500 -1.0 2.0
   39    38    42    48  -0.01750  1.0 1.0
   39    38    42    48  -0.32000 -1.0 2.0
   39    38    42    48   0.00600  1.0 3.0
   39    38    42    69  -0.01750  1.0 1.0
   39    38    42    69  -0.32000 -1.0 2.0
   39    38    42    69   0.00600  1.0 3.0
   42    48    51    52   3.62500 -1.0 2.0
   42    48    51    62   3.62500 -1.0 2.0
   42    48   -53    33   0.04150 -1.0 2.0
   42    48    53    54   0.00000  1.0 1.0
   42    48    53    55   0.00000  1.0 1.0
   42    69    70    71   0.84100 -1.0 2.0
   48    42    69    67   3.62500 -1.0 2.0
   48    42    69    70   3.62500 -1.0 2.0
   48    51    62    63   3.62500 -1.0 2.0
   48    51   -62    67   3.62500 -1.0 2.0
   51    48    53    33   0.04150 -1.0 2.0
   51    48    53    54   0.00000  1.0 1.0
   51    48    53    55   0.00000  1.0 1.0
   51    62    67    68   3.62500 -1.0 2.0
   51    62    67    69   3.62500 -1.0 2.0
   52    51    62    63   3.62500 -1.0 2.0
   52    51    62    67   3.62500 -1.0 2.0
   62    67   -69    42   3.62500 -1.0 2.0
   62    67    69    70   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    69   3.62500 -1.0 2.0
   67    69    70    71   0.84100 -1.0 2.0
   68    67    69    42   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   69    42   -48    51   3.62500 -1.0 2.0
   69    42    48    53   3.62500 -1.0 2.0
   53    33   -37    38   0.09850  1.0 1.0
   53    33   -37    38   0.15250 -1.0 2.0
   53    33   -37    38  -0.50650  1.0 3.0
   53    33    37    40   0.46850  1.0 1.0
   53    33    37    40   0.08550 -1.0 2.0
   53    33    37    40   0.09800  1.0 3.0
   53    33    56    49   0.56750  1.0 1.0
   53    33    56    49  -0.07550 -1.0 2.0
   53    33    56    49   0.20000  1.0 3.0
   53    33    56    57   0.15000  1.0 3.0
   53    33    56    58   0.15000  1.0 3.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    62   3.62500 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    43    49    50   0.37050  1.0 3.0
   40    43    49    56   0.06250  1.0 1.0
   40    43    49    56  -0.01100 -1.0 2.0
   40    43    49    56   0.28050  1.0 3.0
   40    43    49    59   0.06250  1.0 1.0
   40    43    49    59  -0.01100 -1.0 2.0
   40    43    49    59   0.28050  1.0 3.0
   41    40    43    49   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    47   0.23400  1.0 3.0
   43    49   -56    33   0.62750  1.0 1.0
   43    49   -56    33  -0.30950 -1.0 2.0
   43    49   -56    33   0.27300  1.0 3.0
   43    49    56    57   0.23400  1.0 3.0
   43    49    56    58   0.23400  1.0 3.0
   43    49    59    60   0.23400  1.0 3.0
   43    49    59    61   0.23400  1.0 3.0
   43    49    59    64  -3.35100  1.0 1.0
   43    49    59    64  -0.37050 -1.0 2.0
   43    49    59    64   0.22400  1.0 3.0
   49    59    64    65   0.41150 -1.0 2.0
   49    59    64    66   0.41150 -1.0 2.0
   50    49    56    33   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    61   0.15000  1.0 3.0
   50    49    59    64  -0.11250  1.0 3.0
   56    33    37    38   0.09850  1.0 1.0
   56    33    37    38   0.15250 -1.0 2.0
   56    33    37    38  -0.50650  1.0 3.0
   56    33   -37    40   0.46850  1.0 1.0
   56    33   -37    40   0.08550 -1.0 2.0
   56    33   -37    40   0.09800  1.0 3.0
   56    33    53    48  -0.03700  1.0 1.0
   56    33    53    48   0.37200 -1.0 2.0
   56    33    53    48  -0.47300  1.0 3.0
   56    33    53    54   0.15000  1.0 3.0
   56    33    53    55   0.15000  1.0 3.0
   56    49    59    60   0.15000  1.0 3.0
   56    49    59    61   0.15000  1.0 3.0
   56    49    59    64  -1.63150  1.0 1.0
   56    49    59    64  -0.43550 -1.0 2.0
   56    49    59    64   0.24500  1.0 3.0
   59    49    56    33   0.56750  1.0 1.0
   59    49    56    33  -0.07550 -1.0 2.0
   59    49    56    33   0.20000  1.0 3.0
   59    49    56    57   0.15000  1.0 3.0
   59    49    56    58   0.15000  1.0 3.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    66   0.00000  1.0 1.0
   44    40    43    49   0.06250  1.0 1.0
   44    40    43    49  -0.01100 -1.0 2.0
   44    40    43    49   0.28050  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    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   48    69    42    38   4.00000 -1.0 2.0
   51    53    48    42   4.00000 -1.0 2.0
   62    52    51    48   1.10000 -1.0 2.0
   67    63    62    51   1.10000 -1.0 2.0
   69    68    67    62   1.10000 -1.0 2.0
   67    70    69    42   4.00000 -1.0 2.0
   65    59    64    66  10.50000 -1.0 2.0
END
