* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    225     420
    1     0 S   NP   _N1_     1    29.03982    93.59002   -26.45051
    2     1 S   H    _HN1     2     1.02796   120.35242  -113.84833
    3     1 S   H    _H1_     3     1.02947    91.79603    -1.27119
    4     1 S   H    _H2_     4     1.02827    16.67142  -158.21935
    5     1 S   CT   _CA1     5     1.50133   111.62620   111.55327
    6     5 S   HC   _HA1     6     1.09575   105.14653    77.11931
    7     5 S   CO3  _C1_     7     1.53761   112.47372   -43.05759
    8     7 S   O2Z  _O11     8     1.26377   114.99909   -42.18776
    9     7 S   O2Z  _O12     9     1.26236   114.93939   136.77765
   10     5 S   CT   _CB1    10     1.53054   107.39894  -164.92964
   11    10 S   HC   HB11    11     1.09843   109.29216   -49.37158
   12    10 S   HC   HB12    12     1.09810   110.49039    67.21147
   13    10 S   CT   _CG1    13     1.53029   112.66209  -170.30657
   14    13 S   HC   HG11    14     1.09567   110.75099   -68.12203
   15    13 S   HC   HG12    15     1.09670   109.68251    51.13041
   16    13 S   C    _CD1    16     1.51819   111.93062   171.59861
   17    16 S   O    _OE1    17     1.22761   123.15898    13.49870
   18    16 S   N    _N2_    18     1.38639   111.86998  -166.44551
   19    18 S   H    _HN2    19     1.01571   118.97507     0.83603
   20    18 S   CT1  _CA2    20     1.46219   123.37330   176.19296
   21    20 S   HC   _HA2    21     1.09734   109.31144     8.38586
   22    20 S   C    _C2_    22     1.53688   108.84897  -107.20102
   23    22 S   O    _O2_    23     1.23090   122.22431  -148.30514
   24    20 S   CT   _CB2    32     1.53246   111.59708   130.47330
   25    24 S   HC   HB21    33     1.09505   110.01939    56.69521
   26    24 S   HC   HB22    34     1.09463   110.09417   175.70664
   27    22 S   N    _N3_    24     1.38302   113.88653    39.13379
   28    27 S   H    _HN3    25     1.01538   119.62669    -3.04478
   29    24 S   S    _SG2    35     1.82544   111.68985   -64.81158
   30    27 S   CT   _CA3    26     1.45284   123.30972   177.30325
   31    30 S   HC   HA31    27     1.09546   107.49257   -65.36802
   32    30 S   HC   HA32    28     1.09554   108.02605    51.10249
   33    29 S   CT   _C14    36     1.86227    99.66011   174.54217
   34    33 S   HC   _H6_    37     1.08874   104.63998    10.59680
   35    30 S   CO3  _C3_    29     1.52984   114.02063   173.11131
   36    35 S   O2Z  _O31    30     1.26388   116.07257    -0.68128
   37    35 S   O2Z  _O32    31     1.26423   114.42184   179.38229
   38    33 S   CT   _C13    38     1.55807   107.21514   125.36923
   39    38 S   HC   _H16    39     1.09245   110.86895   151.37121
   40    38 S   HC   _H17    40     1.09840   110.69298    36.22385
   41    33 S   CT   _C5_    64     1.58028   114.96452  -104.66465
   42    41 S   OM   _O36    65     1.32511   109.76195   -67.65394
   43    38 S   CT   _C12    41     1.54273   114.66460   -86.92750
   44    43 S   HC   _H14    42     1.09605   109.43171    65.20013
   45    43 S   HC   _H15    43     1.09733   108.37628  -179.62727
   46    41 S   CT   _C4_    66     1.54690   112.27576    51.59149
   47    46 S   HC   _H7_    67     1.09740   113.09885   -66.37024
   48    46 S   HC   _H8_    68     1.09869   111.57226   173.70356
   49    46 S   HC   _H9_    69     1.09567   111.19465    54.40277
   50    43 S   C3T  _C11    44     1.51131   112.92249   -58.23377
   51    50 S   C3T  _C10    45     1.53093   116.93152   -53.20280
   52    51 S   HC   _H5_    46     1.08150   121.20872    -4.71883
   53    50 S   CT   _C15    71     1.50554   116.79850   107.91402
   54    53 S   HC   _H18    72     1.09583   111.85286   155.37488
   55    53 S   HC   _H19    73     1.09495   110.86472    36.27725
   56    53 S   HC   _H20    74     1.09270   111.31696   -84.23624
   57    51 S   CT   _C9_    47     1.49030   119.77413   146.05237
   58    57 S   HC   _H4_    48     1.09724   111.06533     7.21798
   59    50 S   O3T  _O33    70     1.43984   116.79839  -118.25695
   60    57 S   CT   _C8_    49     1.53186   112.52723  -117.63474
   61    60 S   HC   _H3_    50     1.09952   110.28463   -50.28696
   62    60 S   CM   _C17    51     1.49314    97.40484  -159.93777
   63    60 S   CT   _C7_    58     1.54115   112.89437    73.01741
   64    63 S   HC   _H12    59     1.09576   110.88502   138.50254
   65    63 S   HC   _H13    60     1.09401   109.73673    22.01919
   66    62 S   CO4  _C16    52     1.48604   107.16567    31.24970
   67    66 S   O    _O35    53     1.21719   127.15381   165.55217
   68    62 S   CM   _C18    55     1.33498   131.14439  -148.03141
   69    68 S   HC   _H21    56     1.08402   121.49986    -0.96753
   70    68 S   HC   _H22    57     1.08544   121.47132   179.53775
   71    63 S   CT   _C6_    61     1.55001   111.57728  -102.07441
   72    71 S   HC   _H10    62     1.10241   106.27643   -95.31988
   73    71 S   HC   _H11    63     1.09601   109.96100    16.36343
   74    57 S   OS   _O34    54     1.43691   111.31886   125.66745
  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
  18   8   2   1   1  13   6   5  13   8  11   5   4   7   3   2
   1  11  14   6   5   3   2   1  13   7   2  14   8  10   8   4
   3   5   2   3   1   1   2   1   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    71    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    63    71    72    73    41    42    46    47    48    49  
   38    39    40    43    71    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    71    41    42    46    59    53  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    43    60    63    64    65    71    72    73  
   46    47    48    49    63    71    72    73  
   44    45    50    51    52    57    59    53    54    55    56  
   45    50    51    59    53  
   50    51    59    53  
   47    48    49    63    71    72    73  
   48    49    71  
   49    71  
   71  
   51    52    57    58    60    74    59    53    54    55    56  
   52    57    58    60    61    62    66    74    63    59    53    54    55    56  
   57    58    60    74    59    53  
   54    55    56    57    59  
   55    56    59  
   56    59  
   59  
   58    60    61    62    66    67    74    68    63    64    65    71    59  
   60    61    62    66    74    63    59  
   60    74  
   61    62    66    67    74    68    69    70    63    64    65    71    72    73  
   62    66    74    68    63    64    65    71  
   66    67    74    68    69    70    63    64    65    71  
   64    65    71    72    73    66    68    74  
   65    71    72    73  
   71    72    73  
   67    74    68    69    70  
   74    68  
   69    70    74  
   70  
    0  
   72    73  
   73  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   275.000  1.510
   50    51   260.000  1.509
   50    59   335.000  1.432
   50    53   275.000  1.510
   51    52   340.000  1.088
   51    57   275.000  1.510
   51    59   335.000  1.432
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    74   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    66   320.000  1.462
   62    68   549.000  1.340
   66    67   570.000  1.229
   66    74   214.000  1.327
   68    69   340.000  1.080
   68    70   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    41   268.000  1.529
   41    42   570.000  1.307
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    43    58.35000  112.70000
   33    41    71    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    70.00000  112.37300
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    60.00000  120.94000
   43    50    59    80.00000  116.47100
   43    50    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    45.00000  109.38400
   50    43    45    45.00000  109.38400
   50    51    52    37.50000  117.20000
   50    51    57    60.00000  120.94000
   50    51    59    15.00000   60.43100
   50    59    51    15.00000   59.14900
   50    53    54    45.00000  109.38400
   50    53    55    45.00000  109.38400
   50    53    56    45.00000  109.38400
   51    57    58    45.00000  109.38400
   51    57    60    70.00000  112.37300
   51    57    74    50.00000  109.50000
   57    51    52    40.00000  115.04500
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    58.35000  112.70000
   57    74    66    83.00000  116.90000
   60    57    58    37.50000  110.70000
   60    62    66    65.00000  116.34900
   60    62    68    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    71    58.35000  112.70000
   62    60    61    35.00000  109.50000
   62    66    67    80.00000  123.72100
   62    66    74    90.00000  111.29400
   62    68    69    35.00000  120.00000
   62    68    70    35.00000  120.00000
   74    57    58    35.00000  109.50000
   74    57    60    50.00000  109.50000
   74    66    67    83.00000  123.40000
   68    62    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    41    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    41    42    50.00000  109.50000
   71    41    46    58.35000  112.70000
   73    71    72    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    71    72    37.50000  110.70000
   41    71    73    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   59    50    51    15.00000   60.43100
   59    51    52    50.00000  114.27700
   59    51    57    80.00000  116.47100
   53    50    51    60.00000  120.94000
   53    50    59    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    71   0.44750  1.0 1.0
   29    33    41    71  -0.17800 -1.0 2.0
   29    33    41    71   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.47050  1.0 1.0
   33    38    43    50   0.03900 -1.0 2.0
   33    38    43    50   0.20100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  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    43   0.15000  1.0 3.0
   34    33    41    71   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    71   0.56750  1.0 1.0
   38    33    41    71  -0.07550 -1.0 2.0
   38    33    41    71   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.07850  1.0 1.0
   38    43    50    51  -0.03950 -1.0 2.0
   38    43    50    51   0.67350  1.0 3.0
   38    43    50    59   0.02550  1.0 1.0
   38    43    50    59  -0.02600 -1.0 2.0
   38    43    50    59   1.20400  1.0 3.0
   38    43    50    53   0.56750  1.0 1.0
   38    43    50    53  -0.07550 -1.0 2.0
   38    43    50    53   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    51    52   0.15000  1.0 3.0
   43    50    51    57   0.56750  1.0 1.0
   43    50    51    57  -0.07550 -1.0 2.0
   43    50    51    57   0.20000  1.0 3.0
   43    50   -51    59   0.02550  1.0 1.0
   43    50   -51    59  -0.02600 -1.0 2.0
   43    50   -51    59   1.20400  1.0 3.0
   43    50   -59    51   0.06250  1.0 1.0
   43    50   -59    51  -0.01100 -1.0 2.0
   43    50   -59    51   0.28050  1.0 3.0
   43    50    53    54   0.15000  1.0 3.0
   43    50    53    55   0.15000  1.0 3.0
   43    50    53    56   0.15000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    59   0.23400  1.0 3.0
   44    43    50    53   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    59   0.23400  1.0 3.0
   45    43    50    53   0.15000  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    60   0.07850  1.0 1.0
   50    51    57    60  -0.03950 -1.0 2.0
   50    51    57    60   0.67350  1.0 3.0
   50    51    57    74  -0.26800  1.0 1.0
   50    51    57    74   0.69150 -1.0 2.0
   50    51    57    74  -0.48750  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.34400  1.0 1.0
   51    57    60    62   0.09450 -1.0 2.0
   51    57    60    62   0.11100  1.0 3.0
   51    57    60    63   0.47050  1.0 1.0
   51    57    60    63   0.03900 -1.0 2.0
   51    57    60    63   0.20100  1.0 3.0
   51    57    74    66  -0.25900  1.0 1.0
   51    57    74    66  -0.47000 -1.0 2.0
   51    57    74    66   0.11750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   52    51    57    74   0.23400  1.0 3.0
   52    51   -59    50   0.36800  1.0 3.0
   57    51   -59    50   0.06250  1.0 1.0
   57    51   -59    50  -0.01100 -1.0 2.0
   57    51   -59    50   0.28050  1.0 3.0
   57    60   -62    66   0.09700  1.0 1.0
   57    60   -62    66   0.15600 -1.0 2.0
   57    60   -62    66  -0.50800  1.0 3.0
   57    60    62    68   0.09850  1.0 1.0
   57    60    62    68   0.15250 -1.0 2.0
   57    60    62    68  -0.50650  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    71   0.56750  1.0 1.0
   57    60    63    71  -0.07550 -1.0 2.0
   57    60    63    71   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    74    66   0.08050  1.0 3.0
   60    57   -74    66  -0.25900  1.0 1.0
   60    57   -74    66  -0.47000 -1.0 2.0
   60    57   -74    66   0.11750  1.0 3.0
   60    62    66    67  -0.64400  1.0 1.0
   60    62    66    67   0.26850 -1.0 2.0
   60    62   -66    74  -0.15000  1.0 1.0
   60    62   -66    74   0.89550 -1.0 2.0
   60    62   -66    74  -0.06900  1.0 3.0
   60    62    68    69   7.00000 -1.0 2.0
   60    62    68    70   7.00000 -1.0 2.0
   60    63    71    72   0.15000  1.0 3.0
   60    63    71    73   0.15000  1.0 3.0
   60    63    71    41   0.56750  1.0 1.0
   60    63    71    41  -0.07550 -1.0 2.0
   60    63    71    41   0.20000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    71   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    71   0.34400  1.0 1.0
   62    60    63    71   0.09450 -1.0 2.0
   62    60    63    71   0.11100  1.0 3.0
   62    66   -74    57   2.00000 -1.0 2.0
   66    62    68    69   7.00000 -1.0 2.0
   66    62    68    70   7.00000 -1.0 2.0
   67    66    74    57   3.00000 -1.0 2.0
   74    57    60    61   0.23400  1.0 3.0
   74    57   -60    62   0.61850  1.0 1.0
   74    57   -60    62  -0.22750 -1.0 2.0
   74    57   -60    62   0.15300  1.0 3.0
   74    57    60    63   0.62750  1.0 1.0
   74    57    60    63  -0.30950 -1.0 2.0
   74    57    60    63   0.27300  1.0 3.0
   68    62    66    67   1.00000 -1.0 2.0
   68    62    66    74  -0.56150  1.0 1.0
   68    62    66    74   2.19150 -1.0 2.0
   63    60    62    66   0.09700  1.0 1.0
   63    60    62    66   0.15600 -1.0 2.0
   63    60    62    66  -0.50800  1.0 3.0
   63    60    62    68   0.09850  1.0 1.0
   63    60    62    68   0.15250 -1.0 2.0
   63    60    62    68  -0.50650  1.0 3.0
   63    71    41    33   0.56750  1.0 1.0
   63    71    41    33  -0.07550 -1.0 2.0
   63    71    41    33   0.20000  1.0 3.0
   63    71    41    42   0.62750  1.0 1.0
   63    71    41    42  -0.30950 -1.0 2.0
   63    71    41    42   0.27300  1.0 3.0
   63    71    41    46   0.56750  1.0 1.0
   63    71    41    46  -0.07550 -1.0 2.0
   63    71    41    46   0.20000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    41   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    41   0.15000  1.0 3.0
   71    41    46    47   0.15000  1.0 3.0
   71    41    46    48   0.15000  1.0 3.0
   71    41    46    49   0.15000  1.0 3.0
   72    71    41    33   0.15000  1.0 3.0
   72    71    41    42   0.23400  1.0 3.0
   72    71    41    46   0.15000  1.0 3.0
   73    71    41    33   0.15000  1.0 3.0
   73    71    41    42   0.23400  1.0 3.0
   73    71    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   59    50   -51    52   0.23400  1.0 3.0
   59    50   -51    57   0.02550  1.0 1.0
   59    50   -51    57  -0.02600 -1.0 2.0
   59    50   -51    57   1.20400  1.0 3.0
   59    50    53    54   0.23400  1.0 3.0
   59    50    53    55   0.23400  1.0 3.0
   59    50    53    56   0.23400  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    60   0.02550  1.0 1.0
   59    51    57    60  -0.02600 -1.0 2.0
   59    51    57    60   1.20400  1.0 3.0
   59    51    57    74   1.11900  1.0 1.0
   59    51    57    74  -1.16350 -1.0 2.0
   59    51    57    74  -0.34150  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50   -51    59   0.02550  1.0 1.0
   53    50   -51    59  -0.02600 -1.0 2.0
   53    50   -51    59   1.20400  1.0 3.0
   53    50   -59    51   0.06250  1.0 1.0
   53    50   -59    51  -0.01100 -1.0 2.0
   53    50   -59    51   0.28050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   60    66    62    68   1.10000 -1.0 2.0
   62    74    66    67  10.50000 -1.0 2.0
   69    70    68    62   1.10000 -1.0 2.0
END
