* LIGAND DATABASE FILE (OPLS2005)
*
001      71    75    143    228     404
    1     0 S   NP   _N1_     1    29.26411    93.44104   -23.37051
    2     1 S   H    _HN1     2     1.02787   102.86329   -95.25218
    3     1 S   H    _H1_     3     1.02949    88.57737    13.24267
    4     1 S   H    _H2_     4     1.02832    22.52217   159.05013
    5     1 S   CT   _CA1     5     1.50096   130.95226   129.42553
    6     5 S   HC   _HA1     6     1.09569   105.23724    70.93333
    7     5 S   CO3  _C1_     7     1.53796   112.38408   -49.41805
    8     7 S   O2Z  _O11     8     1.26377   115.00162   -44.58040
    9     7 S   O2Z  _O12     9     1.26230   114.94195   134.61203
   10     5 S   CT   _CB1    10     1.53074   107.44865  -171.02565
   11    10 S   HC   HB11    11     1.09833   109.47719   -49.38592
   12    10 S   HC   HB12    12     1.09824   110.42420    67.23104
   13    10 S   CT   _CG1    13     1.53013   112.56763  -170.33452
   14    13 S   HC   HG11    14     1.09582   110.62910   -63.53718
   15    13 S   HC   HG12    15     1.09659   109.85922    55.75144
   16    13 S   C    _CD1    16     1.51749   112.13197   176.26928
   17    16 S   O    _OE1    17     1.22748   123.19273     5.36630
   18    16 S   N    _N2_    18     1.38671   111.75466  -175.06330
   19    18 S   H    _HN2    19     1.01591   119.07088     1.75669
   20    18 S   CT1  _CA2    20     1.46081   123.23688   178.97321
   21    20 S   HC   _HA2    21     1.09577   109.23149    -2.19169
   22    20 S   C    _C2_    22     1.53484   108.98968  -117.19323
   23    22 S   O    _O2_    23     1.23057   122.17128  -150.44050
   24    20 S   CT   _CB2    32     1.53404   111.90355   120.10556
   25    24 S   HC   HB21    33     1.09655   109.59491    65.10653
   26    24 S   HC   HB22    34     1.09576   110.75676  -177.66284
   27    22 S   N    _N3_    24     1.38304   113.70068    37.11898
   28    27 S   H    _HN3    25     1.01609   119.53695    -3.64191
   29    24 S   S    _SG2    35     1.82903   114.89612   -54.66792
   30    27 S   CT   _CA3    26     1.45285   123.19407   176.95194
   31    30 S   HC   HA31    27     1.09550   107.53265   -63.88292
   32    30 S   HC   HA32    28     1.09557   107.95351    52.54453
   33    29 S   CT   _C18    36     1.82539   100.03952   -64.85644
   34    33 S   HC   _H3_    37     1.09517   108.71263   -58.61616
   35    33 S   HC   _H4_    38     1.09206   108.05835    59.00247
   36    30 S   CO3  _C3_    29     1.52951   114.09019   174.52489
   37    36 S   O2Z  _O31    30     1.26373   116.05625    -0.64041
   38    36 S   O2Z  _O32    31     1.26427   114.41541   179.42020
   39    33 S   CT   _C11    39     1.53036   110.75401   179.10431
   40    39 S   HC   _H28    40     1.09831   112.04721   -37.34756
   41    39 S   CO4  _C7_    41     1.50304   113.24493    83.83630
   42    41 S   O    _O17    42     1.22062   126.50541   -39.35635
   43    41 S   OS   _O19    43     1.36053   109.46751   143.09793
   44    43 S   CT   _C13    44     1.44856   111.54044    -4.74929
   45    44 S   HC   _H30    45     1.09428   106.11471   103.83779
   46    44 S   CT   _C8_    46     1.54197   104.43074  -139.25962
   47    46 S   HC   _H24    47     1.09940   107.81585   -54.48059
   48    46 S   HC   _H25    48     1.09863   109.07641    57.81977
   49    39 S   CT   _C12    61     1.54148   111.70578  -160.97548
   50    49 S   HC   _H29    62     1.09956   108.05694   -37.55981
   51    46 S   C3T  _C16    49     1.50434   116.31723  -177.38656
   52    51 S   C3T  _C15    50     1.53486   118.92518    62.38496
   53    52 S   HC   _H32    51     1.08739   116.84165    -2.00232
   54    51 S   CT   _C17    68     1.50246   116.02201  -103.56768
   55    54 S   HC   _H33    69     1.09392   112.44127   170.70555
   56    54 S   HC   _H34    70     1.09281   111.09558    49.13326
   57    54 S   HC   _H35    71     1.09567   109.94219   -69.53740
   58    52 S   C3T  _C14    52     1.52711   122.10365  -152.03869
   59    58 S   HC   _H31    53     1.08528   116.42202   -82.44101
   60    51 S   O3T  _O21    67     1.44387   114.57845   126.93337
   61    58 S   C3T  _C10    54     1.53456   121.83220    71.11222
   62    61 S   HC   _H27    55     1.08469   117.15485  -154.35780
   63    61 S   CM   _C5_    56     1.46106   114.87117   -15.65638
   64    58 S   O3T  _O20    66     1.43673   114.40017   136.73877
   65    63 S   CM   _C4_    57     1.33411   128.18389    65.47206
   66    65 S   HC   _H23    58     1.08175   123.77462     8.18552
   67    65 S   CT   _C9_    59     1.47340   112.37254  -163.26728
   68    67 S   HC   _H26    60     1.09575   109.46754  -120.90538
   69    67 S   OS   _O18    63     1.43738   102.87277    -7.91708
   70    63 S   CO4  _C6_    64     1.47413   125.89435  -103.41905
   71    70 S   O    _O16    65     1.21906   125.17835   -11.91424
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  14   6   5
   9   4  11  12   6   5   3   2   1   8   5   2   9   4   8   2
   6   4   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    67    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    67    68    49    50    69  
   41    42    43    44    67    49    50  
   42    43    44    45    46    67    49    50  
   43    44    49  
   44    45    46    47    48    51    67    49    50  
   45    46    47    48    51    52    65    67    68    49    50    69    60    54  
   46    47    48    51    67    49    50  
   47    48    51    52    53    58    67    49    50    60    54    55    56    57  
   48    51    52    49    60    54  
   51    52    49    60    54  
   50    69    70    51    63    65    66    67    68  
   69    65    67    68  
   52    53    58    59    61    64    60    54    55    56    57  
   53    58    59    61    62    63    64    60    54    55    56    57  
   58    59    61    64    60    54  
   55    56    57    58    60  
   56    57    60  
   57    60  
   60  
   59    61    62    63    65    70    64    60  
   61    62    63    64    60  
   61    64  
   62    63    65    66    67    69    70    71    64  
   63    65    70    64  
   65    66    67    68    69    70    71    64  
   65    70  
   66    67    68    69    70    71  
   67    68    69    70  
   68    69    70    71  
   69    70  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   275.000  1.510
   51    52   260.000  1.509
   51    60   335.000  1.432
   51    54   275.000  1.510
   52    53   340.000  1.088
   52    58   260.000  1.509
   52    60   335.000  1.432
   58    59   340.000  1.088
   58    61   260.000  1.509
   58    64   335.000  1.432
   61    62   340.000  1.088
   61    63   305.000  1.480
   61    64   335.000  1.432
   63    65   549.000  1.340
   63    70   320.000  1.462
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    49   268.000  1.529
   67    69   320.000  1.410
   49    50   340.000  1.090
   69    70   214.000  1.327
   70    71   570.000  1.229
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    67    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.37300
   44    49    67    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    60.00000  120.94000
   46    51    60    80.00000  116.47100
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  109.38400
   51    46    48    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    58    60.00000  120.94000
   51    52    60    15.00000   60.43100
   51    60    52    15.00000   59.14900
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    37.50000  117.20000
   52    58    61    60.00000  120.94000
   52    58    64    80.00000  116.47100
   58    52    53    37.50000  117.20000
   58    61    62    37.50000  117.20000
   58    61    63    60.00000  120.58800
   58    61    64    15.00000   60.43100
   58    64    61    15.00000   59.14900
   61    58    59    37.50000  117.20000
   61    63    65    55.00000  125.06700
   61    63    70    65.00000  114.68000
   63    61    62    40.00000  112.45000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   63    70    69    90.00000  111.29400
   63    70    71    80.00000  123.72100
   65    67    68    35.00000  109.50000
   65    67    49    70.00000  112.02700
   65    67    69    85.00000  110.90400
   67    65    66    35.00000  117.00000
   67    49    50    37.50000  110.70000
   67    69    70    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    67    68    37.50000  110.70000
   69    67    68    35.00000  109.50000
   69    67    49    50.00000  109.50000
   69    70    71    83.00000  123.40000
   70    63    65    65.00000  118.96000
   64    58    59    50.00000  114.27700
   64    58    61    15.00000   60.43100
   64    61    62    50.00000  114.27700
   64    61    63    85.00000  114.23300
   60    51    52    15.00000   60.43100
   60    52    53    50.00000  114.27700
   60    52    58    80.00000  116.47100
   54    51    52    60.00000  120.94000
   54    51    60    80.00000  116.47100
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    67   0.56750  1.0 1.0
   33    39    49    67  -0.07550 -1.0 2.0
   33    39    49    67   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    67   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    67  -0.95700  1.0 1.0
   41    39    49    67  -0.18200 -1.0 2.0
   41    39    49    67   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51  -0.26800  1.0 1.0
   43    44    46    51   0.69150 -1.0 2.0
   43    44    46    51  -0.48750  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    67   0.62750  1.0 1.0
   43    44    49    67  -0.30950 -1.0 2.0
   43    44    49    67   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.07850  1.0 1.0
   44    46    51    52  -0.03950 -1.0 2.0
   44    46    51    52   0.67350  1.0 3.0
   44    46    51    60   0.02550  1.0 1.0
   44    46    51    60  -0.02600 -1.0 2.0
   44    46    51    60   1.20400  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    67   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    67   0.56750  1.0 1.0
   46    44    49    67  -0.07550 -1.0 2.0
   46    44    49    67   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.15000  1.0 3.0
   46    51    52    58   0.07850  1.0 1.0
   46    51    52    58  -0.03950 -1.0 2.0
   46    51    52    58   0.67350  1.0 3.0
   46    51   -52    60   0.02550  1.0 1.0
   46    51   -52    60  -0.02600 -1.0 2.0
   46    51   -52    60   1.20400  1.0 3.0
   46    51   -60    52   0.06250  1.0 1.0
   46    51   -60    52  -0.01100 -1.0 2.0
   46    51   -60    52   0.28050  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    60   0.23400  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    60   0.23400  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    61   0.07850  1.0 1.0
   51    52    58    61  -0.03950 -1.0 2.0
   51    52    58    61   0.67350  1.0 3.0
   51    52    58    64   0.02550  1.0 1.0
   51    52    58    64  -0.02600 -1.0 2.0
   51    52    58    64   1.20400  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.34400  1.0 1.0
   52    58    61    63   0.09450 -1.0 2.0
   52    58    61    63   0.11100  1.0 3.0
   52    58   -61    64   0.02550  1.0 1.0
   52    58   -61    64  -0.02600 -1.0 2.0
   52    58   -61    64   1.20400  1.0 3.0
   52    58   -64    61   0.06250  1.0 1.0
   52    58   -64    61  -0.01100 -1.0 2.0
   52    58   -64    61   0.28050  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    58    64   0.23400  1.0 3.0
   53    52   -60    51   0.36800  1.0 3.0
   58    52   -60    51   0.06250  1.0 1.0
   58    52   -60    51  -0.01100 -1.0 2.0
   58    52   -60    51   0.28050  1.0 3.0
   58    61    63    65   0.09850  1.0 1.0
   58    61    63    65   0.15250 -1.0 2.0
   58    61    63    65  -0.50650  1.0 3.0
   58    61    63    70   0.09700  1.0 1.0
   58    61    63    70   0.15600 -1.0 2.0
   58    61    63    70  -0.50800  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58   -61    64   0.23400  1.0 3.0
   59    58   -64    61   0.36800  1.0 3.0
   61    63    65    66   7.00000 -1.0 2.0
   61    63    65    67   7.00000 -1.0 2.0
   61    63    70    69  -0.15000  1.0 1.0
   61    63    70    69   0.89550 -1.0 2.0
   61    63    70    69  -0.06900  1.0 3.0
   61    63    70    71  -0.64400  1.0 1.0
   61    63    70    71   0.26850 -1.0 2.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    70   0.15000  1.0 3.0
   62    61   -64    58   0.36800  1.0 3.0
   63    61   -64    58  -0.77900  1.0 1.0
   63    61   -64    58  -0.36900 -1.0 2.0
   63    61   -64    58   0.40400  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    49   0.09850  1.0 1.0
   63    65    67    49   0.15250 -1.0 2.0
   63    65    67    49  -0.50650  1.0 3.0
   63    65   -67    69   0.39000  1.0 1.0
   63    65   -67    69  -0.05800 -1.0 2.0
   63    65   -67    69  -0.55150  1.0 3.0
   65    63   -70    69  -0.56150  1.0 1.0
   65    63   -70    69   2.19150 -1.0 2.0
   65    63    70    71   1.00000 -1.0 2.0
   65    67    49    39   0.34400  1.0 1.0
   65    67    49    39   0.09450 -1.0 2.0
   65    67    49    39   0.11100  1.0 3.0
   65    67    49    44   0.34400  1.0 1.0
   65    67    49    44   0.09450 -1.0 2.0
   65    67    49    44   0.11100  1.0 3.0
   65    67    49    50   0.15000  1.0 3.0
   65    67   -69    70  -0.82050  1.0 1.0
   65    67   -69    70   0.00600 -1.0 2.0
   65    67   -69    70   0.04400  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    49   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   67    69   -70    63   2.00000 -1.0 2.0
   67    69    70    71   3.00000 -1.0 2.0
   68    67    49    39   0.15000  1.0 3.0
   68    67    49    44   0.15000  1.0 3.0
   68    67    49    50   0.15000  1.0 3.0
   68    67    69    70   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.47050  1.0 1.0
   49    44    46    51   0.03900 -1.0 2.0
   49    44    46    51   0.20100  1.0 3.0
   49    67    69    70  -0.25900  1.0 1.0
   49    67    69    70  -0.47000 -1.0 2.0
   49    67    69    70   0.11750  1.0 3.0
   69    67    49    39   0.62750  1.0 1.0
   69    67    49    39  -0.30950 -1.0 2.0
   69    67    49    39   0.27300  1.0 3.0
   69    67    49    44   0.62750  1.0 1.0
   69    67    49    44  -0.30950 -1.0 2.0
   69    67    49    44   0.27300  1.0 3.0
   69    67    49    50   0.23400  1.0 3.0
   70    63    65    66   7.00000 -1.0 2.0
   70    63   -65    67   7.00000 -1.0 2.0
   64    58   -61    62   0.23400  1.0 3.0
   64    58   -61    63   0.61850  1.0 1.0
   64    58   -61    63  -0.22750 -1.0 2.0
   64    58   -61    63   0.15300  1.0 3.0
   64    61    63    65   0.39000  1.0 1.0
   64    61    63    65  -0.05800 -1.0 2.0
   64    61    63    65  -0.55150  1.0 3.0
   64    61    63    70   0.09700  1.0 1.0
   64    61    63    70   0.15600 -1.0 2.0
   64    61    63    70  -0.50800  1.0 3.0
   60    51   -52    53   0.23400  1.0 3.0
   60    51   -52    58   0.02550  1.0 1.0
   60    51   -52    58  -0.02600 -1.0 2.0
   60    51   -52    58   1.20400  1.0 3.0
   60    51    54    55   0.23400  1.0 3.0
   60    51    54    56   0.23400  1.0 3.0
   60    51    54    57   0.23400  1.0 3.0
   60    52    58    59   0.23400  1.0 3.0
   60    52    58    61   0.02550  1.0 1.0
   60    52    58    61  -0.02600 -1.0 2.0
   60    52    58    61   1.20400  1.0 3.0
   60    52    58    64   1.11900  1.0 1.0
   60    52    58    64  -1.16350 -1.0 2.0
   60    52    58    64  -0.34150  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.07850  1.0 1.0
   54    51    52    58  -0.03950 -1.0 2.0
   54    51    52    58   0.67350  1.0 3.0
   54    51   -52    60   0.02550  1.0 1.0
   54    51   -52    60  -0.02600 -1.0 2.0
   54    51   -52    60   1.20400  1.0 3.0
   54    51   -60    52   0.06250  1.0 1.0
   54    51   -60    52  -0.01100 -1.0 2.0
   54    51   -60    52   0.28050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   61    70    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   63    69    70    71  10.50000 -1.0 2.0
END
