* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    128    199     372
    1     0 S   NP   _N1_     1    28.59514    94.44874   -22.54811
    2     1 S   H    _HN1     2     1.02780    98.49325   -81.27788
    3     1 S   H    _H1_     3     1.02960    87.39450    26.86303
    4     1 S   H    _H2_     4     1.02839    26.49532   165.36367
    5     1 S   CT   _CA1     5     1.50115   135.93797   143.92957
    6     5 S   HC   _HA1     6     1.09575   105.24368    69.19394
    7     5 S   CO3  _C1_     7     1.53792   112.37554   -51.04437
    8     7 S   O2Z  _O11     8     1.26358   115.00838   -44.46955
    9     7 S   O2Z  _O12     9     1.26238   114.91789   134.73791
   10     5 S   CT   _CB1    10     1.53100   107.43969  -172.88914
   11    10 S   HC   HB11    11     1.09824   109.36025   -50.84103
   12    10 S   HC   HB12    12     1.09820   110.40624    65.71179
   13    10 S   CT   _CG1    13     1.53014   112.66551  -171.94524
   14    13 S   HC   HG11    14     1.09600   110.42812   -63.20746
   15    13 S   HC   HG12    15     1.09649   110.00302    56.01593
   16    13 S   C    _CD1    16     1.51813   112.31762   176.39158
   17    16 S   O    _OE1    17     1.22723   123.26535    -2.82542
   18    16 S   N    _N2_    18     1.38633   111.62832   177.31008
   19    18 S   H    _HN2    19     1.01586   119.03425     1.36401
   20    18 S   CT1  _CA2    20     1.46206   123.38441  -179.39672
   21    20 S   HC   _HA2    21     1.09743   109.37853    -8.98824
   22    20 S   C    _C2_    22     1.53454   108.46535  -124.58642
   23    22 S   O    _O2_    23     1.23020   122.22572  -146.05290
   24    20 S   CT   _CB2    32     1.53468   111.48215   113.00848
   25    24 S   HC   HB21    33     1.09561   109.80538    55.64598
   26    24 S   HC   HB22    34     1.09350   109.78918   174.60000
   27    22 S   N    _N3_    24     1.38503   113.40787    41.37302
   28    27 S   H    _HN3    25     1.01516   118.92652    -0.71737
   29    24 S   S    _SG2    35     1.82791   111.51324   -65.64352
   30    27 S   CT   _CA3    26     1.45455   123.49511   174.98714
   31    30 S   HC   HA31    27     1.09519   109.30289    23.15981
   32    30 S   HC   HA32    28     1.09497   107.10649   140.18236
   33    29 S   CT   _C7_    36     1.85065   100.50316   164.33368
   34    33 S   HC   _H3_    37     1.09758   107.18233   -33.84514
   35    30 S   CO3  _C3_    29     1.52927   113.07207  -100.35668
   36    35 S   O2Z  _O31    30     1.26406   115.39468   -44.48478
   37    35 S   O2Z  _O32    31     1.26353   114.99220   136.44622
   38    33 S   CT   _C8_    38     1.54334   109.55599    82.98464
   39    38 S   HC   _H10    39     1.09672   109.94662   167.81721
   40    38 S   HC   _H11    40     1.09779   110.75864    48.63179
   41    33 S   CT   _C5_    61     1.55985   111.93663  -151.44294
   42    38 S   OS   _O33    41     1.43625   109.26338   -74.09359
   43    41 S   CT   _C4_    62     1.53436   113.94394   -66.37213
   44    43 S   HC   _H4_    63     1.09510   111.37089   -60.14671
   45    43 S   HC   _H5_    64     1.09667   110.56761  -177.39150
   46    43 S   HC   _H6_    65     1.09379   112.37101    62.13648
   47    41 S   CT   _C6_    66     1.53701   112.19621    59.31158
   48    47 S   HC   _H7_    67     1.09604   110.69972    52.64820
   49    47 S   HC   _H8_    68     1.09656   110.79069   170.14859
   50    47 S   HC   _H9_    69     1.09396   112.61892   -69.19292
   51    41 S   OH   _O37    70     1.43852   106.77549   175.38990
   52    51 S   HO   _H17    71     0.97278   108.13214  -179.93439
   53    42 S   CA   _C9_    42     1.37751   110.53353   174.33116
   54    53 S   C56B _C17    43     1.41221   120.39664   -84.86712
   55    53 S   CA   _C10    53     1.40820   120.00337    99.59479
   56    54 S   C5B  _C18    44     1.42195   136.00822     1.79864
   57    56 S   HA   _H15    45     1.08071   127.52794    -0.08847
   58    55 S   CM   _C11    54     1.45851   122.94042    -1.81154
   59    58 S   HC   _H12    55     1.08455   119.14111     0.61929
   60    56 S   C5A  _C19    46     1.37517   106.48671   179.75772
   61    60 S   HA   _H16    47     1.08035   133.71858  -179.85065
   62    58 S   CM   _C12    56     1.33517   120.76905  -179.47885
   63    62 S   HC   _H13    57     1.08432   120.84184   180.00000
   64    60 S   OA   _O36    48     1.35799   110.68820     0.24228
   65    62 S   CO4  _C13    58     1.47195   122.01675    -0.04846
   66    65 S   O    _O34    59     1.22578   121.24098   179.72305
   67    54 S   C56A _C16    49     1.39137   118.41867  -177.92698
   68    71 S   OS   _O35    60     1.41553   116.13793   179.03978
   69    67 S   CA   _C15    50     1.39178   124.25751     0.66823
   70    69 S   HA   _H14    51     1.08302   122.00228   179.93439
   71    69 S   CA   _C14    52     1.39867   115.51120     0.84811
  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  10   5   4   3
  17   8   2   1   1  10   4   3  11   7   9   4   3   2   5   3
   2   1   1   1  13  11  11   6   4   8   4   4   2   5   3   4
   4   2   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    43    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    53    41    43    44    45    46    47    48    49    50    51    52  
   38    39    40    42    41    43    47    51  
   36    37  
   37  
    0  
   39    40    42    53    54    55    41    43    47    51  
   40    42    53    41  
   42    53    41  
   43    44    45    46    47    48    49    50    51    52    42  
   53    54    56    67    71    55    58  
   44    45    46    47    48    49    50    51    52  
   45    46    47    51  
   46    47    51  
   47    51  
   48    49    50    51    52  
   49    50    51  
   50    51  
   51  
   52  
    0  
   54    56    57    60    64    67    69    71    55    58    59    62    68  
   56    57    60    61    64    67    69    70    71    55    58  
   58    59    62    63    65    68    56    67    69    70    71  
   57    60    61    64    67    69  
   60    61    64    67  
   59    62    63    65    66    68    69    71  
   62    63    65    71  
   61    64    67    69  
   64    67  
   63    65    66    68    71  
   65    66    68  
   67    69    70    71  
   66    68    69    71  
   68    71  
   69    70    71    68  
   69    70    71  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.010800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.035400   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.514600   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.241900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.079700   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.171600   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   320.000  1.410
   42    53   450.000  1.364
   53    54   469.000  1.404
   53    55   469.000  1.400
   54    56   380.000  1.440
   54    67   447.000  1.419
   56    57   367.000  1.080
   56    60   520.000  1.370
   60    61   367.000  1.080
   60    64   340.000  1.360
   64    67   425.000  1.380
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    55   469.000  1.400
   71    68   450.000  1.364
   55    58   320.000  1.460
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    63   340.000  1.080
   62    65   320.000  1.462
   65    66   570.000  1.229
   65    68   214.000  1.327
   41    43   268.000  1.529
   41    47   268.000  1.529
   41    51   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   553.000  0.945
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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    50.00000  109.50000
   33    41    43    58.35000  112.70000
   33    41    47    58.35000  112.70000
   33    41    51    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    53    75.00000  111.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    53    54    70.00000  120.00000
   42    53    55    70.00000  120.00000
   53    54    56    50.00000  134.85500
   53    54    67    85.00000  116.20000
   53    55    71    63.00000  120.00000
   53    55    58    60.00000  120.93500
   54    56    57    35.00000  127.20800
   54    56    60    80.00000  105.82900
   54    67    64   100.00000  108.43400
   54    67    69    85.00000  122.70000
   56    60    61    35.00000  130.70000
   56    60    64    70.00000  108.00000
   60    56    57    35.00000  128.20000
   60    64    67   110.00000  105.28000
   64    60    61    35.00000  113.40000
   64    67    69    70.00000  124.10000
   67    54    56    80.00000  107.43600
   67    69    70    35.00000  120.00000
   67    69    71    85.00000  120.00000
   69    71    55    63.00000  120.00000
   69    71    68    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    55    58    60.00000  120.93500
   71    68    65    85.00000  115.98000
   55    53    54    63.00000  120.00000
   55    58    59    40.00000  117.26300
   55    58    62    60.00000  123.20500
   58    62    63    35.00000  120.00000
   58    62    65    65.00000  118.96000
   62    58    59    35.00000  120.00000
   62    65    66    80.00000  123.72100
   62    65    68    90.00000  111.29400
   65    62    63    40.00000  117.72500
   68    71    55    70.00000  120.00000
   68    65    66    83.00000  123.40000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    46    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   41    51    52    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    41    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    41    43    50.00000  109.50000
   51    41    47    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    43   0.44750  1.0 1.0
   29    33    41    43  -0.17800 -1.0 2.0
   29    33    41    43   0.20200  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   29    33    41    51   0.56750  1.0 1.0
   29    33    41    51  -0.07550 -1.0 2.0
   29    33    41    51   0.20000  1.0 3.0
   33    38    42    53  -0.32850  1.0 1.0
   33    38    42    53  -0.35800 -1.0 2.0
   33    38    42    53   0.33950  1.0 3.0
   33    41    43    44   0.15000  1.0 3.0
   33    41    43    45   0.15000  1.0 3.0
   33    41    43    46   0.15000  1.0 3.0
   33    41    47    48   0.15000  1.0 3.0
   33    41    47    49   0.15000  1.0 3.0
   33    41    47    50   0.15000  1.0 3.0
   33    41    51    52  -0.11600  1.0 1.0
   33    41    51    52  -0.09450 -1.0 2.0
   33    41    51    52   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    47   0.15000  1.0 3.0
   34    33    41    51   0.23400  1.0 3.0
   38    33    41    43   0.56750  1.0 1.0
   38    33    41    43  -0.07550 -1.0 2.0
   38    33    41    43   0.20000  1.0 3.0
   38    33    41    47   0.56750  1.0 1.0
   38    33    41    47  -0.07550 -1.0 2.0
   38    33    41    47   0.20000  1.0 3.0
   38    33    41    51   0.86500  1.0 1.0
   38    33    41    51  -0.17500 -1.0 2.0
   38    33    41    51   0.20800  1.0 3.0
   38    42    53    54   1.63200 -1.0 2.0
   38    42    53    55   1.63200 -1.0 2.0
   39    38    42    53   0.08050  1.0 3.0
   40    38    42    53   0.08050  1.0 3.0
   42    53    54    56   3.62500 -1.0 2.0
   42    53    54    67   3.62500 -1.0 2.0
   42    53    55    71   3.62500 -1.0 2.0
   42    53    55    58   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    60   3.62500 -1.0 2.0
   53    54    67    64   3.62500 -1.0 2.0
   53    54    67    69   3.00000 -1.0 2.0
   53    55    58    59   0.56550  1.0 3.0
   53    55    58    62   0.15800  1.0 1.0
   53    55    58    62   1.85350 -1.0 2.0
   53    55    58    62  -0.48700  1.0 3.0
   54    53    55    71   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   54    56    60    61   3.62500 -1.0 2.0
   54    56   -60    64   3.62500 -1.0 2.0
   54    67    69    70   3.62500 -1.0 2.0
   54    67   -69    71   3.62500 -1.0 2.0
   56    54   -67    64   3.62500 -1.0 2.0
   56    54    67    69   3.00000 -1.0 2.0
   56    60   -64    67   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    64   3.62500 -1.0 2.0
   60    64   -67    54   3.62500 -1.0 2.0
   60    64    67    69   3.62500 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   64    67    69    70   3.62500 -1.0 2.0
   64    67    69    71   3.62500 -1.0 2.0
   67    54    56    57   3.50000 -1.0 2.0
   67    54   -56    60   3.50000 -1.0 2.0
   67    69    71    55   3.62500 -1.0 2.0
   67    69    71    68   3.62500 -1.0 2.0
   69    71   -55    53   3.62500 -1.0 2.0
   69    71    55    58   3.62500 -1.0 2.0
   69    71    68    65   0.01300  1.0 1.0
   69    71    68    65   0.97950 -1.0 2.0
   69    71    68    65  -0.55700  1.0 3.0
   70    69    71    55   3.62500 -1.0 2.0
   70    69    71    68   3.62500 -1.0 2.0
   71    55    58    59   0.56550  1.0 3.0
   71    55    58    62   0.15800  1.0 1.0
   71    55    58    62   1.85350 -1.0 2.0
   71    55    58    62  -0.48700  1.0 3.0
   55    53    54    56   3.62500 -1.0 2.0
   55    53   -54    67   3.50000 -1.0 2.0
   55    71    68    65   0.01300  1.0 1.0
   55    71    68    65   0.97950 -1.0 2.0
   55    71    68    65  -0.55700  1.0 3.0
   55    58    62    63   7.00000 -1.0 2.0
   55    58   -62    65   7.00000 -1.0 2.0
   58    62    65    66   1.00000 -1.0 2.0
   58    62    65    68  -0.56150  1.0 1.0
   58    62    65    68   2.19150 -1.0 2.0
   59    58    62    63   7.00000 -1.0 2.0
   59    58    62    65   7.00000 -1.0 2.0
   62    65   -68    71   2.00000 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    68   1.63100 -1.0 2.0
   66    65    68    71   3.00000 -1.0 2.0
   68    71    55    53   3.62500 -1.0 2.0
   68    71   -55    58   3.62500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.62750  1.0 1.0
   41    33    38    42  -0.30950 -1.0 2.0
   41    33    38    42   0.27300  1.0 3.0
   43    41    47    48   0.15000  1.0 3.0
   43    41    47    49   0.15000  1.0 3.0
   43    41    47    50   0.15000  1.0 3.0
   43    41    51    52  -0.11600  1.0 1.0
   43    41    51    52  -0.09450 -1.0 2.0
   43    41    51    52   0.21250  1.0 3.0
   47    41    43    44   0.15000  1.0 3.0
   47    41    43    45   0.15000  1.0 3.0
   47    41    43    46   0.15000  1.0 3.0
   47    41    51    52  -0.11600  1.0 1.0
   47    41    51    52  -0.09450 -1.0 2.0
   47    41    51    52   0.21250  1.0 3.0
   51    41    43    44   0.23400  1.0 3.0
   51    41    43    45   0.23400  1.0 3.0
   51    41    43    46   0.23400  1.0 3.0
   51    41    47    48   0.23400  1.0 3.0
   51    41    47    49   0.23400  1.0 3.0
   51    41    47    50   0.23400  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
   54    55    53    42   4.00000 -1.0 2.0
   56    67    54    53   4.00000 -1.0 2.0
   60    57    56    54   1.10000 -1.0 2.0
   64    61    60    56   1.10000 -1.0 2.0
   64    69    67    54   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   55    68    71    69   4.00000 -1.0 2.0
   71    58    55    53   4.00000 -1.0 2.0
   55    59    58    62   1.10000 -1.0 2.0
   65    63    62    58   1.10000 -1.0 2.0
   62    68    65    66  10.50000 -1.0 2.0
END
