* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    135    202     392
    1     0 S   NP   _N1_     1    28.65386    96.02567   -23.53777
    2     1 S   H    _HN1     2     1.02788   105.25592   -90.43843
    3     1 S   H    _H1_     3     1.02949    73.52996    14.61560
    4     1 S   H    _H2_     4     1.02829    36.72579   169.97032
    5     1 S   CT   _CA1     5     1.50110   137.98614   117.05373
    6     5 S   HC   _HA1     6     1.09573   105.19687    89.94916
    7     5 S   CO3  _C1_     7     1.53782   112.42189   -30.29026
    8     7 S   O2Z  _O11     8     1.26371   115.01437   -43.80058
    9     7 S   O2Z  _O12     9     1.26235   114.93867   135.29694
   10     5 S   CT   _CB1    10     1.53074   107.41609  -152.09530
   11    10 S   HC   HB11    11     1.09834   109.36457   -49.84257
   12    10 S   HC   HB12    12     1.09812   110.46035    66.75729
   13    10 S   CT   _CG1    13     1.52997   112.60730  -170.81265
   14    13 S   HC   HG11    14     1.09582   110.64348   -65.66162
   15    13 S   HC   HG12    15     1.09670   109.78049    53.57410
   16    13 S   C    _CD1    16     1.51804   112.17538   174.02440
   17    16 S   O    _OE1    17     1.22740   123.25992     7.42381
   18    16 S   N    _N2_    18     1.38632   111.70156  -172.62562
   19    18 S   H    _HN2    19     1.01588   119.01279     1.50454
   20    18 S   CT1  _CA2    20     1.46219   123.42184   177.56651
   21    20 S   HC   _HA2    21     1.09736   109.32834     4.53354
   22    20 S   C    _C2_    22     1.53626   108.87886  -111.01448
   23    22 S   O    _O2_    23     1.23074   122.26441  -149.69340
   24    20 S   CT   _CB2    32     1.53397   111.51374   126.52047
   25    24 S   HC   HB21    33     1.09436   109.42644    56.32235
   26    24 S   HC   HB22    34     1.09390   109.66377   175.27084
   27    22 S   N    _N3_    24     1.38324   113.80700    37.85830
   28    27 S   H    _HN3    25     1.01564   119.57671    -3.48150
   29    24 S   S    _SG2    35     1.83090   111.19104   -64.68785
   30    27 S   CT   _CA3    26     1.45277   123.22872   177.12765
   31    30 S   HC   HA31    27     1.09549   107.52154   -64.45375
   32    30 S   HC   HA32    28     1.09557   107.97862    51.98999
   33    29 S   CT   _C15    36     1.88958   101.63467   179.02683
   34    30 S   CO3  _C3_    29     1.52962   114.06716   173.98490
   35    34 S   O2Z  _O31    30     1.26377   116.07287    -0.38512
   36    34 S   O2Z  _O32    31     1.26427   114.41413   179.67076
   37    33 S   CA   _C7_    37     1.53363   109.02402    59.82616
   38    33 S   CM   _C14    48     1.51207   106.41272   -63.09816
   39    38 S   HC   _H11    49     1.09067   116.06683   -61.32195
   40    33 S   CT   _C16    65     1.58964   108.73151   179.49140
   41    40 S   HC   _H12    66     1.09830   108.68088   -61.78424
   42    37 S   CA   _C6_    38     1.41326   120.00662    62.24790
   43    42 S   HA   _H6_    39     1.08868   119.46661    -2.65697
   44    40 S   CT   _C17    67     1.54209   115.70786    56.54627
   45    44 S   HC   _H13    68     1.09416   112.12498    65.70133
   46    44 S   HC   _H14    69     1.09289   112.41054   -56.85399
   47    44 S   HC   _H15    70     1.09649   110.00326  -175.42714
   48    40 S   CT   _C18    71     1.54287   112.54979  -179.17267
   49    48 S   HC   _H16    72     1.09478   111.72398   -63.93594
   50    48 S   HC   _H17    73     1.09595   110.40877   176.51749
   51    48 S   HC   _H18    74     1.09384   111.90610    57.63183
   52    42 S   CA   _C5_    40     1.40173   122.31820   177.13577
   53    52 S   CA   _C10    41     1.39880   119.10686    -0.48497
   54    52 S   CT   _C4_    61     1.50333   119.69752  -179.66662
   55    54 S   HC   _H3_    62     1.09476   110.17363   116.14170
   56    54 S   HC   _H4_    63     1.09488   110.30049  -122.96599
   57    54 S   HC   _H5_    64     1.09510   111.65754    -3.55446
   58    53 S   CA   _C9_    42     1.39850   119.09403     1.10677
   59    58 S   HA   _H7_    43     1.08694   120.00882   179.91844
   60    53 S   OS   _O33    56     1.37155   115.97231  -179.08914
   61    37 S   CA   _C8_    44     1.40497   121.48141  -119.38827
   62    60 S   CT   _C11    57     1.42227   117.35166   179.92338
   63    62 S   HC   _H8_    58     1.09430   107.72508  -179.88131
   64    62 S   HC   _H9_    59     1.09497   111.14428    62.43496
   65    62 S   HC   _H10    60     1.09496   111.15381   -62.18740
   66    61 S   CT   _C12    45     1.53185   122.36787     4.95591
   67    66 S   CMA  _C13    46     1.54772   115.37810    -7.81859
   68    67 S   OM   _O34    47     1.26595   112.80298  -172.98768
   69    66 S   CT   _C19    50     1.55135   108.37584   116.74077
   70    69 S   HC   _H19    51     1.09642   111.86275   175.18476
   71    69 S   HC   _H20    52     1.09598   111.96976    57.88700
   72    69 S   HC   _H21    53     1.09523   111.71505   -63.25490
   73    66 S   OH   _O35    54     1.44075   106.05812  -128.16506
   74    73 S   HO   _H22    55     0.97410   106.18150   161.63924
  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  11   5   4   3
  21   2   1   1  18  12   4  12   8  11   4   7   3   2   1   3
   2   1   1  10  13   5   2   1   1   8   3   5   9   3   2   1
   1   8   7   2   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    61    67    38    39    40    41    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    52    58    61    66    67    68    38    39    40    41    44    45    46    47    48    49    50    51  
   35    36  
   36  
    0  
   42    43    52    53    58    59    61    66    67    38    39    69    73    54    40    41    44    48  
   39    69    73    40    41    44    48    42    61    66    67    68  
   40    66    67    68  
   41    44    45    46    47    48    49    50    51    42    61    67  
   44    45    46    47    48    49    50    51  
   43    52    53    58    61    66    60    54    55    56    57  
   52    53    61    54  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50    51  
   51  
    0  
   53    58    59    61    60    62    54    55    56    57  
   58    59    61    66    60    62    63    64    65    54    55    56    57  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    61    66    67    69    73    60    62  
   61    66    60  
   62    63    64    65    61  
   66    67    68    69    70    71    72    73    74  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74  
   69    73  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.065000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.510
   33    40   268.000  1.529
   37    42   469.000  1.400
   37    61   469.000  1.400
   42    43   367.000  1.080
   42    52   469.000  1.400
   52    53   469.000  1.400
   52    54   317.000  1.510
   53    58   469.000  1.400
   53    60   450.000  1.364
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    66   317.000  1.510
   66    67   270.000  1.512
   66    69   268.000  1.529
   66    73   320.000  1.410
   67    68   745.000  1.250
   67    38   465.000  1.376
   38    39   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   60    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    37    42    70.00000  120.00000
   33    37    61    70.00000  120.00000
   33    38    67    70.00000  124.00000
   33    38    39    35.00000  117.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    48    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    52    63.00000  120.00000
   37    61    58    63.00000  120.00000
   37    61    66    70.00000  120.00000
   42    52    53    63.00000  120.00000
   42    52    54    70.00000  120.00000
   52    42    43    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    53    60    70.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    61    63.00000  120.00000
   53    60    62    75.00000  111.00000
   58    61    66    70.00000  120.00000
   61    37    42    63.00000  120.00000
   61    58    59    35.00000  120.00000
   61    66    67    70.00000  112.99600
   61    66    69    70.00000  112.17500
   61    66    73    90.00000  112.51600
   66    67    68    85.00000  112.85300
   66    67    38    65.00000  122.18000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    55.00000  108.50000
   67    38    39    40.00000  120.50800
   38    33    37    70.00000  112.99600
   38    67    68    65.00000  137.10300
   69    66    67    70.00000  112.02700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    66    67    90.00000  110.39200
   73    66    69    50.00000  109.50000
   60    53    58    70.00000  120.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    52    53    70.00000  120.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    37    70.00000  112.17500
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    51    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    40    41    37.50000  110.70000
   48    40    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    61  -0.16000  1.0 1.0
   29    33    37    61  -0.03200 -1.0 2.0
   29    33    37    61   0.04500  1.0 3.0
   29    33    38    67   0.42700  1.0 1.0
   29    33    38    67  -0.70350 -1.0 2.0
   29    33    38    67  -0.43150  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    48   0.44750  1.0 1.0
   29    33    40    48  -0.17800 -1.0 2.0
   29    33    40    48   0.20200  1.0 3.0
   33    37    42    43   3.62500 -1.0 2.0
   33    37    42    52   3.62500 -1.0 2.0
   33    37    61    58   3.62500 -1.0 2.0
   33    37    61    66   3.62500 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   33    40    48    49   0.15000  1.0 3.0
   33    40    48    50   0.15000  1.0 3.0
   33    40    48    51   0.15000  1.0 3.0
   37    33    38    67   1.44450  1.0 1.0
   37    33    38    67   0.06600 -1.0 2.0
   37    33    38    67   0.29250  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    40    41   0.43200  1.0 3.0
   37    33    40    44  -0.03700  1.0 1.0
   37    33    40    44   0.37200 -1.0 2.0
   37    33    40    44  -0.47300  1.0 3.0
   37    33    40    48  -0.03700  1.0 1.0
   37    33    40    48   0.37200 -1.0 2.0
   37    33    40    48  -0.47300  1.0 3.0
   37    42    52    53   3.62500 -1.0 2.0
   37    42    52    54   3.62500 -1.0 2.0
   37    61   -66    67   0.18050 -1.0 2.0
   37    61    66    69   0.04150 -1.0 2.0
   37    61    66    73   0.14300 -1.0 2.0
   37    61    66    73   0.00300  1.0 3.0
   42    37    61    58   3.62500 -1.0 2.0
   42    37    61    66   3.62500 -1.0 2.0
   42    52   -53    58   3.62500 -1.0 2.0
   42    52    53    60   3.62500 -1.0 2.0
   42    52    54    55   0.00000  1.0 1.0
   42    52    54    56   0.00000  1.0 1.0
   42    52    54    57   0.00000  1.0 1.0
   43    42    52    53   3.62500 -1.0 2.0
   43    42    52    54   3.62500 -1.0 2.0
   52    53    58    59   3.62500 -1.0 2.0
   52    53    58    61   3.62500 -1.0 2.0
   52    53    60    62   1.63200 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.00000  1.0 1.0
   53    58   -61    37   3.62500 -1.0 2.0
   53    58    61    66   3.62500 -1.0 2.0
   53    60    62    63   0.08050  1.0 3.0
   53    60    62    64   0.08050  1.0 3.0
   53    60    62    65   0.08050  1.0 3.0
   58    53    60    62   1.63200 -1.0 2.0
   58    61    66    67   0.18050 -1.0 2.0
   58    61    66    69   0.04150 -1.0 2.0
   58    61    66    73   0.14300 -1.0 2.0
   58    61    66    73   0.00300  1.0 3.0
   59    58    61    37   3.62500 -1.0 2.0
   59    58    61    66   3.62500 -1.0 2.0
   61    37    42    43   3.62500 -1.0 2.0
   61    37   -42    52   3.62500 -1.0 2.0
   61    66    67    68   0.09700  1.0 1.0
   61    66    67    68   0.15600 -1.0 2.0
   61    66    67    68  -0.50800  1.0 3.0
   61    66    67    38   1.44450  1.0 1.0
   61    66    67    38   0.06600 -1.0 2.0
   61    66    67    38   0.29250  1.0 3.0
   61    66    69    70   0.43200  1.0 3.0
   61    66    69    71   0.43200  1.0 3.0
   61    66    69    72   0.43200  1.0 3.0
   61    66    73    74   0.31900  1.0 1.0
   61    66    73    74  -0.11800 -1.0 2.0
   61    66    73    74   0.38750  1.0 3.0
   66    67   -38    33   7.00000 -1.0 2.0
   66    67    38    39   7.00000 -1.0 2.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    66    73    74  -0.07800  1.0 1.0
   67    66    73    74  -0.21500 -1.0 2.0
   67    66    73    74  -0.03150  1.0 3.0
   68    67    38    33   7.00000 -1.0 2.0
   68    67    38    39   7.00000 -1.0 2.0
   38    33    37    42   0.18050 -1.0 2.0
   38    33   -37    61   0.18050 -1.0 2.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    48   0.34400  1.0 1.0
   38    33    40    48   0.09450 -1.0 2.0
   38    33    40    48   0.11100  1.0 3.0
   69    66    67    68   0.09700  1.0 1.0
   69    66    67    68   0.15600 -1.0 2.0
   69    66    67    68  -0.50800  1.0 3.0
   69    66    67    38   0.09850  1.0 1.0
   69    66    67    38   0.15250 -1.0 2.0
   69    66    67    38  -0.50650  1.0 3.0
   69    66    73    74  -0.11600  1.0 1.0
   69    66    73    74  -0.09450 -1.0 2.0
   69    66    73    74   0.21250  1.0 3.0
   73    66    67    68   0.09700  1.0 1.0
   73    66    67    68   0.15600 -1.0 2.0
   73    66    67    68  -0.50800  1.0 3.0
   73    66    67    38   0.67800  1.0 1.0
   73    66    67    38   0.47050 -1.0 2.0
   73    66    67    38  -0.62500  1.0 3.0
   73    66    69    70   0.23400  1.0 3.0
   73    66    69    71   0.23400  1.0 3.0
   73    66    69    72   0.23400  1.0 3.0
   60    53    58    59   3.62500 -1.0 2.0
   60    53    58    61   3.62500 -1.0 2.0
   54    52    53    58   3.62500 -1.0 2.0
   54    52    53    60   3.62500 -1.0 2.0
   40    33    37    42   0.04150 -1.0 2.0
   40    33    37    61   0.04150 -1.0 2.0
   40    33    38    67   0.09850  1.0 1.0
   40    33    38    67   0.15250 -1.0 2.0
   40    33    38    67  -0.50650  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    51   0.15000  1.0 3.0
   44    40    48    49   0.15000  1.0 3.0
   44    40    48    50   0.15000  1.0 3.0
   44    40    48    51   0.15000  1.0 3.0
   48    40    44    45   0.15000  1.0 3.0
   48    40    44    46   0.15000  1.0 3.0
   48    40    44    47   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   42    61    37    33   4.00000 -1.0 2.0
   52    43    42    37   1.10000 -1.0 2.0
   53    54    52    42   4.00000 -1.0 2.0
   58    60    53    52   4.00000 -1.0 2.0
   61    59    58    53   1.10000 -1.0 2.0
   58    66    61    37   4.00000 -1.0 2.0
   66    68    67    38   1.10000 -1.0 2.0
   33    39    38    67   1.10000 -1.0 2.0
END
