* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    120    180     345
    1     0 S   NP   _N1_     1    28.81119    96.24437   -22.24164
    2     1 S   H    _HN1     2     1.02953    76.74705    16.06734
    3     1 S   H    _H1_     3     1.02832    38.79594   156.90073
    4     1 S   H    _H2_     4     1.02787    95.66429   -91.46823
    5     1 S   CT   _CA1     5     1.50134   145.94258   123.01028
    6     5 S   HC   _HA1     6     1.09571   105.20853    81.27931
    7     5 S   CO3  _C1_     7     1.53830   112.28430   -38.93331
    8     7 S   O2Z  _O11     8     1.26365   115.03869   -45.11006
    9     7 S   O2Z  _O12     9     1.26228   114.99639   133.88845
   10     5 S   CT   _CB1    10     1.53095   107.38352  -160.78331
   11    10 S   HC   HB11    11     1.09826   109.49297   -49.27922
   12    10 S   HC   HB12    12     1.09813   110.40969    67.37068
   13    10 S   CT   _CG1    13     1.52956   112.54983  -170.25218
   14    13 S   HC   HG11    14     1.09517   110.42100   -62.70759
   15    13 S   HC   HG12    15     1.09657   109.91883    56.40852
   16    13 S   C    _CD1    16     1.51836   112.33766   176.86700
   17    16 S   O    _OE1    17     1.22734   123.28134     0.67231
   18    16 S   N    _N2_    18     1.38591   111.61227  -179.17197
   19    18 S   H    _HN2    19     1.01611   119.06251     1.84196
   20    18 S   CT1  _CA2    20     1.46287   123.62526   179.73756
   21    20 S   HC   _HA2    21     1.09735   109.30108     1.22077
   22    20 S   C    _C2_    22     1.53541   109.12712  -114.32684
   23    22 S   O    _O2_    23     1.23075   122.24062  -152.51195
   24    20 S   CT   _CB2    32     1.53354   111.04863   123.10213
   25    24 S   HC   HB21    33     1.09393   109.44538    54.75595
   26    24 S   HC   HB22    34     1.09489   110.85506   173.68938
   27    22 S   N    _N3_    24     1.38341   113.82182    35.24727
   28    27 S   H    _HN3    25     1.01586   119.47914    -3.94645
   29    24 S   S    _SG2    35     1.82847   111.05798   -66.82397
   30    27 S   CT   _CA3    26     1.45269   123.18367   176.96597
   31    30 S   HC   HA31    27     1.09551   107.56320   -63.36807
   32    30 S   HC   HA32    28     1.09559   107.91521    53.04432
   33    29 S   CT   _C10    36     1.84213    99.88564   164.59206
   34    33 S   HC   _H3_    37     1.09719   104.00751    45.85517
   35    30 S   CO3  _C3_    29     1.52940   114.12637   175.03631
   36    35 S   O2Z  _O31    30     1.26371   116.08620     0.54429
   37    35 S   O2Z  _O32    31     1.26433   114.40530  -179.42495
   38    33 S   CA   _C9_    38     1.52356   111.55677   160.75289
   39    33 S   CM   _C11    51     1.51092   111.54333   -71.86933
   40    38 S   CA   _C8_    39     1.39389   119.46434  -139.26798
   41    40 S   HA   _H9_    40     1.08557   121.19830     1.66107
   42    39 S   CA   _C13    52     1.46907   122.24436   -68.66595
   43    39 S   CMA  _C12    67     1.51889   120.55777   121.91631
   44    43 S   OM   _O33    68     1.26333   120.68194    56.04404
   45    43 S   OM   _O34    69     1.26333   120.78237  -123.16520
   46    40 S   CA   _C7_    41     1.39042   118.83058  -177.72755
   47    46 S   HA   _H8_    42     1.08584   120.05639   179.94766
   48    42 S   CA   _C14    53     1.39836   120.48129   -92.45621
   49    48 S   HA   _H10    54     1.08735   120.45486    -0.21489
   50    46 S   CA   _C6_    43     1.38912   119.74508     0.41778
   51    50 S   HA   _H7_    44     1.08487   120.33568   179.68910
   52    48 S   CA   _C15    55     1.39700   120.29399   179.37193
   53    52 S   HA   _H11    56     1.08705   119.19493  -179.55501
   54    50 S   CA   _C5_    45     1.38937   118.39525     0.01978
   55    52 S   CA   _C16    57     1.39840   120.62018     0.35277
   56    38 S   NB   _N4_    46     1.35987   118.54903    43.61108
   57    54 S   CT   _C4_    47     1.49768   120.11513   179.41116
   58    57 S   HC   _H4_    48     1.09440   110.25708    60.01623
   59    57 S   HC   _H5_    49     1.09487   110.86797   179.71745
   60    57 S   HC   _H6_    50     1.09443   110.21565   -60.63428
   61    55 S   CA   _C17    58     1.39580   119.18349     0.52897
   62    61 S   HA   _H12    59     1.08524   121.98519   179.24593
   63    55 S   OS   _O35    62     1.36992   115.06961  -179.80617
   64    42 S   CA   _C18    60     1.39829   120.54007    88.17609
   65    64 S   HA   _H13    61     1.08629   120.37692     1.11698
   66    63 S   CT   _C19    63     1.42344   116.59148   177.32204
   67    66 S   HC   _H14    64     1.09427   107.73269  -178.61662
   68    66 S   HC   _H15    65     1.09494   111.13968    63.66619
   69    66 S   HC   _H16    66     1.09478   111.10703   -60.90932
  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   8   5   4   3
  14   6   2   1   1  11  12   7   4  12   4   1   1   6   3   8
   4   7   3   7   3   5   9   4   3   2   1   1   5   3   5   1
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    56    39    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    54    56    39    42    48    64    43    44    45  
   38    40    56    39    42    43  
   36    37  
   37  
    0  
   40    41    46    47    50    54    56    57    39    42    43  
   42    48    49    52    61    64    65    43    44    45    40    56  
   41    46    47    50    51    54    56  
   46    47    50    56  
   48    49    52    53    55    61    62    64    65    43    44    45  
   44    45    48    64  
   45  
    0  
   47    50    51    54    56    57  
   50    51    54  
   49    52    53    55    61    64    65    63  
   52    53    55    64  
   51    54    56    57    58    59    60  
   54    56    57  
   53    55    61    62    64    63    66  
   55    61    63  
   56    57    58    59    60  
   61    62    64    65    63    66    67    68    69  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    0  
   62    64    65    63    66  
   64    65    63  
   66    67    68    69    64  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   0.222500   2.4950   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   57   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.3810   1.2100   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    56   483.000  1.339
   40    41   367.000  1.080
   40    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    56   483.000  1.339
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    42   320.000  1.460
   39    43   465.000  1.376
   42    48   469.000  1.400
   42    64   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    61   469.000  1.400
   55    63   450.000  1.364
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    65   367.000  1.080
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   43    44   745.000  1.250
   43    45   745.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    56    75.00000  115.74700
   33    39    42    65.00000  118.87000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    63.00000  120.00000
   38    56    54    70.00000  117.00000
   40    46    47    35.00000  120.00000
   40    46    50    63.00000  120.00000
   46    40    41    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    56    70.00000  124.00000
   50    54    57    70.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   56    38    40    70.00000  124.00000
   57    54    56    75.00000  115.74700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    48    60.00000  120.93500
   39    42    64    60.00000  120.93500
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   42    48    49    35.00000  120.00000
   42    48    52    63.00000  120.00000
   42    64    61    63.00000  120.00000
   42    64    65    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    61    63.00000  120.00000
   52    55    63    70.00000  120.00000
   55    52    53    35.00000  120.00000
   55    61    62    35.00000  120.00000
   55    61    64    63.00000  120.00000
   55    63    66    75.00000  111.00000
   61    64    65    35.00000  120.00000
   64    42    48    63.00000  120.00000
   64    61    62    35.00000  120.00000
   63    55    61    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   43    39    42    60.00000  123.20500
   45    43    44    65.00000  121.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    56   0.04300 -1.0 2.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    46   3.62500 -1.0 2.0
   33    38    56    54   3.62500 -1.0 2.0
   33    39    42    48  -0.02500  1.0 1.0
   33    39    42    48  -0.32150 -1.0 2.0
   33    39    42    48  -0.01500  1.0 3.0
   33    39    42    64  -0.02500  1.0 1.0
   33    39    42    64  -0.32150 -1.0 2.0
   33    39    42    64  -0.01500  1.0 3.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    42   0.77000  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    40    46    47   3.62500 -1.0 2.0
   38    40    46    50   3.62500 -1.0 2.0
   40    38    56    54   3.62500 -1.0 2.0
   40    46    50    51   3.62500 -1.0 2.0
   40    46   -50    54   3.62500 -1.0 2.0
   41    40    46    47   3.62500 -1.0 2.0
   41    40    46    50   3.62500 -1.0 2.0
   46    50    54    56   3.62500 -1.0 2.0
   46    50    54    57   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -56    38   3.62500 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    60   0.00000  1.0 1.0
   51    50    54    56   3.62500 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   56    38    40    41   3.62500 -1.0 2.0
   56    38   -40    46   3.62500 -1.0 2.0
   56    54    57    58   0.00000  1.0 1.0
   56    54    57    59   0.00000  1.0 1.0
   56    54    57    60   0.00000  1.0 1.0
   57    54    56    38   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    56   0.04300 -1.0 2.0
   39    42    48    49   3.62500 -1.0 2.0
   39    42    48    52   3.62500 -1.0 2.0
   39    42    64    61   3.62500 -1.0 2.0
   39    42    64    65   3.62500 -1.0 2.0
   42    39    43    44   7.00000 -1.0 2.0
   42    39    43    45   7.00000 -1.0 2.0
   42    48    52    53   3.62500 -1.0 2.0
   42    48    52    55   3.62500 -1.0 2.0
   48    42    64    61   3.62500 -1.0 2.0
   48    42    64    65   3.62500 -1.0 2.0
   48    52   -55    61   3.62500 -1.0 2.0
   48    52    55    63   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55    61    62   3.62500 -1.0 2.0
   52    55    61    64   3.62500 -1.0 2.0
   52    55    63    66   1.63200 -1.0 2.0
   53    52    55    61   3.62500 -1.0 2.0
   53    52    55    63   3.62500 -1.0 2.0
   55    61   -64    42   3.62500 -1.0 2.0
   55    61    64    65   3.62500 -1.0 2.0
   55    63    66    67   0.08050  1.0 3.0
   55    63    66    68   0.08050  1.0 3.0
   55    63    66    69   0.08050  1.0 3.0
   61    55    63    66   1.63200 -1.0 2.0
   62    61    64    42   3.62500 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   64    42    48    49   3.62500 -1.0 2.0
   64    42   -48    52   3.62500 -1.0 2.0
   63    55    61    62   3.62500 -1.0 2.0
   63    55    61    64   3.62500 -1.0 2.0
   43    39    42    48   0.15800  1.0 1.0
   43    39    42    48   1.85350 -1.0 2.0
   43    39    42    48  -0.48700  1.0 3.0
   43    39    42    64   0.15800  1.0 1.0
   43    39    42    64   1.85350 -1.0 2.0
   43    39    42    64  -0.48700  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
   36    30    35    37  10.50000 -1.0 2.0
   40    56    38    33   4.00000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   50    47    46    40   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   57    56    54    50   4.00000 -1.0 2.0
   33    42    39    43  15.00000 -1.0 2.0
   48    64    42    39   4.00000 -1.0 2.0
   52    49    48    42   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   61    63    55    52   4.00000 -1.0 2.0
   64    62    61    55   1.10000 -1.0 2.0
   61    65    64    42   1.10000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
