* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    136    217     393
    1     0 S   NP   _N1_     1    29.55193    94.87239   -17.67406
    2     1 S   H    _HN1     2     1.02779    68.85220   -83.94300
    3     1 S   H    _H1_     3     1.02963    96.44378    23.28396
    4     1 S   H    _H2_     4     1.02834    46.44673   130.67798
    5     1 S   CT   _CA1     5     1.50152   150.24900   177.88798
    6     5 S   HC   _HA1     6     1.09574   105.21820    24.52271
    7     5 S   CO3  _C1_     7     1.53863   112.38794   -95.67457
    8     7 S   O2Z  _O11     8     1.26374   114.98738   -41.15056
    9     7 S   O2Z  _O12     9     1.26241   114.97678   137.90971
   10     5 S   CT   _CB1    10     1.53102   107.40316   142.52338
   11    10 S   HC   HB11    11     1.09821   109.47138   -49.14410
   12    10 S   HC   HB12    12     1.09830   110.34982    67.49250
   13    10 S   CT   _CG1    13     1.52979   112.62992  -170.23614
   14    13 S   HC   HG11    14     1.09535   110.25277   -61.30434
   15    13 S   HC   HG12    15     1.09640   110.11557    57.76472
   16    13 S   C    _CD1    16     1.51846   112.30191   178.00983
   17    16 S   O    _OE1    17     1.22727   123.21105    -9.50913
   18    16 S   N    _N2_    18     1.38576   111.63296   171.09475
   19    18 S   H    _HN2    19     1.01586   118.93117     0.44587
   20    18 S   CT1  _CA2    20     1.46236   123.59635  -177.35544
   21    20 S   HC   _HA2    21     1.09726   109.39522   -12.05517
   22    20 S   C    _C2_    22     1.53404   108.34904  -127.82156
   23    22 S   O    _O2_    23     1.23016   122.27017  -146.27424
   24    20 S   CT   _CB2    32     1.53467   111.18222   110.01560
   25    24 S   HC   HB21    33     1.09533   109.70740    55.91074
   26    24 S   HC   HB22    34     1.09511   110.71576   174.21280
   27    22 S   N    _N3_    24     1.38525   113.37191    41.14429
   28    27 S   H    _HN3    25     1.01529   118.85504    -0.78135
   29    24 S   S    _SG2    35     1.82901   111.54417   -66.66304
   30    27 S   CT   _CA3    26     1.45447   123.50969   175.17014
   31    30 S   HC   HA31    27     1.09520   109.29338    23.28428
   32    30 S   HC   HA32    28     1.09497   107.10868   140.28494
   33    29 S   CT   _C13    36     1.84557   100.07207   145.34900
   34    33 S   HC   _H7_    37     1.10080   104.41469    43.78787
   35    30 S   CO3  _C3_    29     1.52916   113.07421  -100.24009
   36    35 S   O2Z  _O31    30     1.26406   115.38741   -45.23793
   37    35 S   O2Z  _O32    31     1.26355   114.99998   135.70081
   38    33 S   CT   _C12    38     1.58680   110.13766   159.84315
   39    38 S   OM   _O34    39     1.32528   108.65755   -85.12912
   40    38 S   HC   _H6_    40     1.10024   104.95461    43.27324
   41    33 S   C3T  _C14    58     1.51969   112.41649   -69.57589
   42    41 S   HC   _H8_    59     1.08552   110.28357   125.42590
   43    38 S   CM   _C11    41     1.50677   114.63654   156.65051
   44    66 S   O3T  _O33    60     1.43998   113.43871   125.09791
   45    43 S   CM   _C10    42     1.33254   130.34530    27.29810
   46    45 S   HC   _H14    43     1.08007   124.47417    10.51041
   47    45 S   CT   _C9_    44     1.47474   111.56336  -159.06130
   48    47 S   HC   _H5_    45     1.09527   110.25562  -131.82425
   49    47 S   CT   _C8_    46     1.55610   114.45206    99.07451
   50    49 S   HC   _H4_    47     1.09848   109.70028   -93.39715
   51    47 S   OS   _O36    68     1.43821   102.42291   -16.64511
   52    49 S   CM   _C16    48     1.49572   112.61614   148.41380
   53    43 S   CO4  _C15    69     1.47636   123.48979  -141.71283
   54    53 S   O    _O35    70     1.21871   126.19404   -10.34380
   55    52 S   CO4  _C18    49     1.47107   110.14908  -135.67985
   56    55 S   O    _O37    50     1.21782   126.95099  -175.85338
   57    52 S   CM   _C17    65     1.33717   128.81635    44.61089
   58    57 S   HC   _H15    66     1.08500   121.06332     0.34035
   59    57 S   HC   _H16    67     1.08533   121.81312   179.87180
   60    55 S   OS   _O38    51     1.35675   107.41238     3.52326
   61    49 S   CT   _C7_    52     1.53793   116.64753    31.37442
   62    61 S   HC   _H3_    53     1.09441   112.54935    20.36086
   63    61 S   CT   _C6_    54     1.54454   115.26255  -106.99080
   64    63 S   HC   _H12    55     1.09916   107.87120  -172.98362
   65    63 S   HC   _H13    56     1.09847   109.00655   -60.58712
   66    63 S   C3T  _C5_    57     1.51568   116.08212    64.04499
   67    66 S   CT   _C4_    61     1.50160   115.84497  -106.29304
   68    67 S   HC   _H9_    62     1.09259   112.75302  -173.63838
   69    67 S   HC   _H10    63     1.09212   111.16597    64.53473
   70    67 S   HC   _H11    64     1.09528   109.98755   -54.54766
  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
  13   8   2   1   1  13   5   4  12   4   8   9  10   5  13   6
  16   8   4   9   1   1   8   3   4   1   1   6   6   4   7   3
   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    43    66    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    63    66    41    42    44    67    53  
   38    39    40    43    66    41    42    44  
   36    37  
   37  
    0  
   39    40    43    45    46    47    66    41    42    44    51    53    54  
   40    43    45    41    53  
   43    45    41    53  
   42    44    67    68    69    70    43    61    63    64    65    66  
   44    67    63    66  
   45    46    47    48    49    51    53    54  
   67    68    69    70    61    63    64    65    66  
   46    47    48    49    50    52    61    51    53    54  
   47    48    49    51    53  
   48    49    50    52    55    60    61    62    63    57    51    53    54  
   49    50    52    61    51    53  
   50    52    55    56    60    61    62    63    64    65    66    57    58    59    51    53  
   52    55    60    61    62    63    57    51  
   53    54    52    61  
   55    56    60    61    62    63    57    58    59  
   54  
    0  
   56    60    61    62    63    57    58    59  
   60    61    57  
   58    59    60    61  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67  
   63    64    65    66  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   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   268.000  1.529
   33    41   275.000  1.510
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    45   549.000  1.340
   43    53   320.000  1.462
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    61   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    60   214.000  1.327
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   275.000  1.510
   66    41   260.000  1.509
   66    44   335.000  1.432
   66    67   275.000  1.510
   41    42   340.000  1.088
   41    44   335.000  1.432
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
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    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    41    66    60.00000  120.94000
   33    41    42    40.00000  115.04500
   33    41    44    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    43    45    70.00000  124.00000
   38    43    53    65.00000  116.34900
   40    38    39    45.00000  125.66300
   43    38    39    85.00000  110.90400
   43    38    40    35.00000  109.50000
   43    45    46    35.00000  120.00000
   43    45    47    70.00000  124.00000
   43    53    51    90.00000  111.29400
   43    53    54    80.00000  123.72100
   45    47    48    35.00000  109.50000
   45    47    49    70.00000  112.02700
   45    47    51    85.00000  110.90400
   47    45    46    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    61    58.35000  112.70000
   47    51    53    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    61    60    50.00000  109.50000
   49    61    62    37.50000  110.70000
   49    61    63    58.35000  112.70000
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    60    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    60    61    83.00000  116.90000
   60    55    56    83.00000  123.40000
   60    61    62    35.00000  109.50000
   60    61    63    50.00000  109.50000
   61    49    50    37.50000  110.70000
   61    49    52    70.00000  112.02700
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    70.00000  112.37300
   63    61    62    37.50000  110.70000
   63    66    41    60.00000  120.94000
   63    66    44    80.00000  116.47100
   63    66    67    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    45.00000  109.38400
   66    63    65    45.00000  109.38400
   66    41    42    37.50000  117.20000
   66    41    44    15.00000   60.43100
   66    44    41    15.00000   59.14900
   66    67    68    45.00000  109.38400
   66    67    69    45.00000  109.38400
   66    67    70    45.00000  109.38400
   41    33    34    45.00000  109.38400
   41    33    38    70.00000  112.37300
   44    66    41    15.00000   60.43100
   44    41    42    50.00000  114.27700
   67    66    41    60.00000  120.94000
   67    66    44    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   53    43    45    65.00000  118.96000
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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    38    43    45   0.09850  1.0 1.0
   33    38    43    45   0.15250 -1.0 2.0
   33    38    43    45  -0.50650  1.0 3.0
   33    38    43    53   0.09700  1.0 1.0
   33    38    43    53   0.15600 -1.0 2.0
   33    38    43    53  -0.50800  1.0 3.0
   33    41   -44    66   0.06250  1.0 1.0
   33    41   -44    66  -0.01100 -1.0 2.0
   33    41   -44    66   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    66   0.07850  1.0 1.0
   38    33    41    66  -0.03950 -1.0 2.0
   38    33    41    66   0.67350  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.02550  1.0 1.0
   38    33    41    44  -0.02600 -1.0 2.0
   38    33    41    44   1.20400  1.0 3.0
   38    43    45    46   7.00000 -1.0 2.0
   38    43    45    47   7.00000 -1.0 2.0
   38    43    53    51  -0.15000  1.0 1.0
   38    43    53    51   0.89550 -1.0 2.0
   38    43    53    51  -0.06900  1.0 3.0
   38    43    53    54  -0.64400  1.0 1.0
   38    43    53    54   0.26850 -1.0 2.0
   39    38    43    45   0.39000  1.0 1.0
   39    38    43    45  -0.05800 -1.0 2.0
   39    38    43    45  -0.55150  1.0 3.0
   39    38    43    53   0.09700  1.0 1.0
   39    38    43    53   0.15600 -1.0 2.0
   39    38    43    53  -0.50800  1.0 3.0
   40    38    43    45   0.00000  1.0 1.0
   40    38    43    53   0.15000  1.0 3.0
   43    45    47    48   0.00000  1.0 1.0
   43    45    47    49   0.09850  1.0 1.0
   43    45    47    49   0.15250 -1.0 2.0
   43    45    47    49  -0.50650  1.0 3.0
   43    45   -47    51   0.39000  1.0 1.0
   43    45   -47    51  -0.05800 -1.0 2.0
   43    45   -47    51  -0.55150  1.0 3.0
   45    43   -53    51  -0.56150  1.0 1.0
   45    43   -53    51   2.19150 -1.0 2.0
   45    43    53    54   1.00000 -1.0 2.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    52   0.31000  1.0 1.0
   45    47    49    52   0.14700 -1.0 2.0
   45    47    49    52   0.07550  1.0 3.0
   45    47    49    61   0.34400  1.0 1.0
   45    47    49    61   0.09450 -1.0 2.0
   45    47    49    61   0.11100  1.0 3.0
   45    47   -51    53  -0.82050  1.0 1.0
   45    47   -51    53   0.00600 -1.0 2.0
   45    47   -51    53   0.04400  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    51   0.00000  1.0 1.0
   47    49    52    55   0.09700  1.0 1.0
   47    49    52    55   0.15600 -1.0 2.0
   47    49    52    55  -0.50800  1.0 3.0
   47    49    52    57   0.09850  1.0 1.0
   47    49    52    57   0.15250 -1.0 2.0
   47    49    52    57  -0.50650  1.0 3.0
   47    49    61    60   0.62750  1.0 1.0
   47    49    61    60  -0.30950 -1.0 2.0
   47    49    61    60   0.27300  1.0 3.0
   47    49    61    62   0.15000  1.0 3.0
   47    49    61    63   0.56750  1.0 1.0
   47    49    61    63  -0.07550 -1.0 2.0
   47    49    61    63   0.20000  1.0 3.0
   47    51   -53    43   2.00000 -1.0 2.0
   47    51    53    54   3.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    61   0.15000  1.0 3.0
   48    47    51    53   0.08050  1.0 3.0
   49    47    51    53  -0.25900  1.0 1.0
   49    47    51    53  -0.47000 -1.0 2.0
   49    47    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    60  -0.15000  1.0 1.0
   49    52   -55    60   0.89550 -1.0 2.0
   49    52   -55    60  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    61    63    64   0.15000  1.0 3.0
   49    61    63    65   0.15000  1.0 3.0
   49    61    63    66   0.47050  1.0 1.0
   49    61    63    66   0.03900 -1.0 2.0
   49    61    63    66   0.20100  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    61    60   0.23400  1.0 3.0
   50    49    61    62   0.15000  1.0 3.0
   50    49    61    63   0.15000  1.0 3.0
   52    49   -61    60   0.61850  1.0 1.0
   52    49   -61    60  -0.22750 -1.0 2.0
   52    49   -61    60   0.15300  1.0 3.0
   52    49    61    62   0.15000  1.0 3.0
   52    49    61    63   0.34400  1.0 1.0
   52    49    61    63   0.09450 -1.0 2.0
   52    49    61    63   0.11100  1.0 3.0
   52    55   -60    61   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    60   -61    49  -0.25900  1.0 1.0
   55    60   -61    49  -0.47000 -1.0 2.0
   55    60   -61    49   0.11750  1.0 3.0
   55    60    61    62   0.08050  1.0 3.0
   55    60    61    63  -0.25900  1.0 1.0
   55    60    61    63  -0.47000 -1.0 2.0
   55    60    61    63   0.11750  1.0 3.0
   56    55    60    61   3.00000 -1.0 2.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.23400  1.0 3.0
   60    61    63    66  -0.26800  1.0 1.0
   60    61    63    66   0.69150 -1.0 2.0
   60    61    63    66  -0.48750  1.0 3.0
   61    49   -52    55   0.09700  1.0 1.0
   61    49   -52    55   0.15600 -1.0 2.0
   61    49   -52    55  -0.50800  1.0 3.0
   61    49    52    57   0.09850  1.0 1.0
   61    49    52    57   0.15250 -1.0 2.0
   61    49    52    57  -0.50650  1.0 3.0
   61    63    66    41   0.07850  1.0 1.0
   61    63    66    41  -0.03950 -1.0 2.0
   61    63    66    41   0.67350  1.0 3.0
   61    63    66    44   0.02550  1.0 1.0
   61    63    66    44  -0.02600 -1.0 2.0
   61    63    66    44   1.20400  1.0 3.0
   61    63    66    67   0.56750  1.0 1.0
   61    63    66    67  -0.07550 -1.0 2.0
   61    63    66    67   0.20000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   63    66    41    33   0.56750  1.0 1.0
   63    66    41    33  -0.07550 -1.0 2.0
   63    66    41    33   0.20000  1.0 3.0
   63    66    41    42   0.15000  1.0 3.0
   63    66   -41    44   0.02550  1.0 1.0
   63    66   -41    44  -0.02600 -1.0 2.0
   63    66   -41    44   1.20400  1.0 3.0
   63    66   -44    41   0.06250  1.0 1.0
   63    66   -44    41  -0.01100 -1.0 2.0
   63    66   -44    41   0.28050  1.0 3.0
   63    66    67    68   0.15000  1.0 3.0
   63    66    67    69   0.15000  1.0 3.0
   63    66    67    70   0.15000  1.0 3.0
   64    63    66    41   0.15000  1.0 3.0
   64    63    66    44   0.23400  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   65    63    66    41   0.15000  1.0 3.0
   65    63    66    44   0.23400  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   41    33    38    39  -0.26800  1.0 1.0
   41    33    38    39   0.69150 -1.0 2.0
   41    33    38    39  -0.48750  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.34400  1.0 1.0
   41    33    38    43   0.09450 -1.0 2.0
   41    33    38    43   0.11100  1.0 3.0
   41    66    67    68   0.15000  1.0 3.0
   41    66    67    69   0.15000  1.0 3.0
   41    66    67    70   0.15000  1.0 3.0
   42    41   -44    66   0.36800  1.0 3.0
   44    66   -41    33   0.02550  1.0 1.0
   44    66   -41    33  -0.02600 -1.0 2.0
   44    66   -41    33   1.20400  1.0 3.0
   44    66   -41    42   0.23400  1.0 3.0
   44    66    67    68   0.23400  1.0 3.0
   44    66    67    69   0.23400  1.0 3.0
   44    66    67    70   0.23400  1.0 3.0
   67    66    41    33   0.56750  1.0 1.0
   67    66    41    33  -0.07550 -1.0 2.0
   67    66    41    33   0.20000  1.0 3.0
   67    66    41    42   0.15000  1.0 3.0
   67    66   -41    44   0.02550  1.0 1.0
   67    66   -41    44  -0.02600 -1.0 2.0
   67    66   -41    44   1.20400  1.0 3.0
   67    66   -44    41   0.06250  1.0 1.0
   67    66   -44    41  -0.01100 -1.0 2.0
   67    66   -44    41   0.28050  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    60  -0.56150  1.0 1.0
   57    52    55    60   2.19150 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    61   0.62750  1.0 1.0
   51    47    49    61  -0.30950 -1.0 2.0
   51    47    49    61   0.27300  1.0 3.0
   53    43    45    46   7.00000 -1.0 2.0
   53    43   -45    47   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    53    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   49    55    52    57   1.10000 -1.0 2.0
   52    60    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   43    51    53    54  10.50000 -1.0 2.0
END
