* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    202     382
    1     0 S   NP   _N1_     1    28.74748    94.63003   -22.45147
    2     1 S   H    _HN1     2     1.02782    95.57130   -88.10828
    3     1 S   H    _H1_     3     1.02950    85.74487    19.92562
    4     1 S   H    _H2_     4     1.02830    30.23155   155.46859
    5     1 S   CT   _CA1     5     1.50110   139.95461   137.01686
    6     5 S   HC   _HA1     6     1.09568   105.25499    69.15408
    7     5 S   CO3  _C1_     7     1.53862   112.26664   -51.16947
    8     7 S   O2Z  _O11     8     1.26382   115.03622   -45.67933
    9     7 S   O2Z  _O12     9     1.26221   114.98312   133.46802
   10     5 S   CT   _CB1    10     1.53100   107.40999  -172.83256
   11    10 S   HC   HB11    11     1.09822   109.60548   -48.98711
   12    10 S   HC   HB12    12     1.09818   110.35309    67.68684
   13    10 S   CT   _CG1    13     1.52953   112.50765  -169.97159
   14    13 S   HC   HG11    14     1.09492   110.38259   -60.05480
   15    13 S   HC   HG12    15     1.09645   110.00751    59.03037
   16    13 S   C    _CD1    16     1.51794   112.31541   179.48490
   17    16 S   O    _OE1    17     1.22728   123.29249    -3.99655
   18    16 S   N    _N2_    18     1.38610   111.64418   176.20661
   19    18 S   H    _HN2    19     1.01643   118.90050     1.42546
   20    18 S   CT1  _CA2    20     1.46286   123.49461  -179.40455
   21    20 S   HC   _HA2    21     1.09729   109.37848    -1.24348
   22    20 S   C    _C2_    22     1.53403   108.85829  -116.98505
   23    22 S   O    _O2_    23     1.23056   122.23791  -149.17644
   24    20 S   CT   _CB2    32     1.53419   111.10028   120.58699
   25    24 S   HC   HB21    33     1.09326   109.30788    57.92193
   26    24 S   HC   HB22    34     1.09502   110.80762   176.31135
   27    22 S   N    _N3_    24     1.38325   113.69105    38.40293
   28    27 S   H    _HN3    25     1.01617   119.54207    -3.77029
   29    24 S   S    _SG2    35     1.82786   110.99426   -64.28294
   30    27 S   CT   _CA3    26     1.45292   123.11999   176.88486
   31    30 S   HC   HA31    27     1.09554   107.54640   -63.12457
   32    30 S   HC   HA32    28     1.09559   107.91525    53.26976
   33    29 S   CT   _C14    36     1.84177   100.59623   155.02372
   34    33 S   HC   _H4_    37     1.09683   106.51132    52.23569
   35    30 S   CO3  _C3_    29     1.52935   114.16371   175.23120
   36    35 S   O2Z  _O31    30     1.26363   116.07460    -0.95306
   37    35 S   O2Z  _O32    31     1.26436   114.40626   179.09756
   38    33 S   CO4  _C15    38     1.52790   108.72356   165.16839
   39    38 S   O    _O35    39     1.23185   123.13631   -30.32892
   40    38 S   CM   _C16    40     1.48606   119.14242   153.51013
   41    40 S   HC   _H10    41     1.08369   114.95390   176.93229
   42    40 S   CM   _C17    42     1.34358   122.19051    -2.12817
   43    42 S   CT   _C11    43     1.51240   121.94494    -1.46313
   44    42 S   OS   _O36    69     1.38403   125.03414   178.68210
   45    43 S   CO4  _C12    44     1.52526   108.32156   103.75928
   46    45 S   O    _O34    45     1.21803   126.29041   -58.92339
   47    43 S   OS   _O33    55     1.45422   110.25284  -142.70765
   48    33 S   CT   _C13    60     1.54001   113.98310   -68.45229
   49    48 S   HC   _H3_    61     1.09998   107.24820    72.75808
   50    44 S   CT   _C18    70     1.42192   118.21662    -0.57027
   51    50 S   HC   _H11    71     1.09406   107.86416  -179.69226
   52    50 S   HC   _H12    72     1.09477   110.98041    62.35603
   53    50 S   HC   _H13    73     1.09478   110.99908   -61.72548
   54    45 S   CA   _C8_    46     1.45326   108.02066   121.44031
   55    48 S   CO4  _C19    62     1.52645   113.97334   -41.31294
   56    55 S   O    _O37    63     1.22588   122.91142   117.00045
   57    54 S   CA   _C7_    47     1.40064   130.73548   177.90389
   58    57 S   OM   _O39    48     1.27611   125.12582    -0.15451
   59    55 S   OS   _O38    64     1.36110   111.45013   -62.72408
   60    57 S   CA   _C6_    49     1.41703   112.34937   179.80820
   61    60 S   HA   _H8_    50     1.09287   118.27330  -179.55545
   62    59 S   CT   _C20    65     1.43075   115.33708   178.71002
   63    62 S   HC   _H14    66     1.09319   108.08530   175.06668
   64    62 S   HC   _H15    67     1.09428   110.66165    56.22862
   65    62 S   HC   _H16    68     1.09368   109.87660   -66.46889
   66    60 S   CA   _C5_    51     1.41812   124.15640     0.47064
   67    66 S   CA   _C10    52     1.39462   119.56824    -1.15216
   68    67 S   HA   _H9_    53     1.08474   121.41895  -178.84750
   69    66 S   CT   _C4_    56     1.49993   119.93536  -178.50119
   70    69 S   HC   _H5_    57     1.09430   109.98159    84.59537
   71    69 S   HC   _H6_    58     1.09511   111.02547  -154.97466
   72    69 S   HC   _H7_    59     1.09503   110.79646   -35.95678
   73    54 S   CA   _C9_    54     1.38662   104.42068    -2.33724
  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   9   5   4   3
  14   7   2   1   1   9   4   8   3  14  14   7  11   5   9   7
   3   3   2   1   1   8   6   2   7   4   4   9   3   3   2   1
   1   7   6   2   4   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    47    48    49    55    56    59  
   38    39    40    43    48    49    55  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    55    44  
   40    41    42    48  
   41    42    43    45    47    48    44    50  
   42    43    44  
   43    45    46    54    73    47    48    49    55    44    50    51    52    53  
   45    46    54    57    67    73    47    48    49    55    56    59    44    50  
   50    51    52    53    45    47    48  
   46    54    57    58    60    67    73    47    48    49    55  
   54    57    73    47    48  
   48    49    55    54    57    66    67    68    73  
   49    55    56    59    62    54    73  
   55    56    59  
   51    52    53  
   52    53  
   53  
    0  
   57    58    60    61    66    67    68    73  
   56    59    62    63    64    65  
   59    62  
   58    60    61    66    67    73    69  
   60    61    66    73  
   62    63    64    65  
   61    66    67    68    73    69    70    71    72  
   66    67    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   70    71    72    73  
   71    72  
   72  
    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   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   59   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.065000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   317.000  1.510
   42    44   440.000  1.360
   43    45   317.000  1.522
   43    47   320.000  1.410
   43    48   268.000  1.529
   45    46   570.000  1.229
   45    54   310.000  1.470
   54    57   469.000  1.400
   54    73   469.000  1.400
   57    58   450.000  1.364
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    47   450.000  1.364
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   48    49   340.000  1.090
   48    55   317.000  1.522
   55    56   570.000  1.229
   55    59   214.000  1.327
   59    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    55    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    70.00000  124.00000
   40    42    44    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    45    70.00000  109.06800
   42    43    47    85.00000  110.90400
   42    43    48    70.00000  112.02700
   42    44    50    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    54    65.00000  115.47100
   43    47    73    75.00000  111.00000
   43    48    49    37.50000  110.70000
   43    48    55    63.00000  111.10000
   45    54    57    60.00000  119.52600
   45    54    73    60.00000  119.52600
   54    45    46    75.00000  123.78400
   54    57    58    70.00000  120.00000
   54    57    60    63.00000  120.00000
   54    73    67    63.00000  120.00000
   54    73    47    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    66    63.00000  120.00000
   60    57    58    70.00000  120.00000
   60    66    67    63.00000  120.00000
   60    66    69    70.00000  120.00000
   66    60    61    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    73    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    47    70.00000  120.00000
   73    54    57    63.00000  120.00000
   73    67    68    35.00000  120.00000
   47    43    45    90.00000  108.74100
   69    66    67    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    45    63.00000  111.10000
   48    43    47    50.00000  109.50000
   48    55    56    80.00000  120.40000
   48    55    59    81.00000  111.40000
   55    48    49    35.00000  109.50000
   55    59    62    83.00000  116.90000
   59    55    56    83.00000  123.40000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    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
   44    42    43    85.00000  112.85300
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    55   0.56750  1.0 1.0
   29    33    48    55  -0.07550 -1.0 2.0
   29    33    48    55   0.20000  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    48    55    56   0.30150 -1.0 2.0
   33    48    55    59   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    55  -0.11250  1.0 3.0
   38    33    48    43  -0.95700  1.0 1.0
   38    33    48    43  -0.18200 -1.0 2.0
   38    33    48    43   0.29450  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    55   0.11950  1.0 1.0
   38    33    48    55   0.20300 -1.0 2.0
   38    33    48    55  -0.70800  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    45  -0.51250  1.0 1.0
   40    42    43    45  -0.88800 -1.0 2.0
   40    42    43    45   0.08850  1.0 3.0
   40    42    43    47   0.39000  1.0 1.0
   40    42    43    47  -0.05800 -1.0 2.0
   40    42    43    47  -0.55150  1.0 3.0
   40    42    43    48   0.09850  1.0 1.0
   40    42    43    48   0.15250 -1.0 2.0
   40    42    43    48  -0.50650  1.0 3.0
   40    42    44    50  -2.26850  1.0 1.0
   40    42    44    50   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    54   0.65300  1.0 1.0
   42    43    45    54  -0.03850 -1.0 2.0
   42    43    45    54   0.33900  1.0 3.0
   42    43    47    73  -0.25600  1.0 1.0
   42    43    47    73  -0.40050 -1.0 2.0
   42    43    47    73   0.34700  1.0 3.0
   42    43   -48    33   0.34400  1.0 1.0
   42    43   -48    33   0.09450 -1.0 2.0
   42    43   -48    33   0.11100  1.0 3.0
   42    43    48    49   0.15000  1.0 3.0
   42    43    48    55  -0.98800  1.0 1.0
   42    43    48    55   0.48800 -1.0 2.0
   42    43    48    55   0.76800  1.0 3.0
   42    44    50    51   0.08050  1.0 3.0
   42    44    50    52   0.08050  1.0 3.0
   42    44    50    53   0.08050  1.0 3.0
   43    42    44    50   2.00000 -1.0 2.0
   43    45    54    57   2.26350  1.0 1.0
   43    45    54    57   0.76750 -1.0 2.0
   43    45    54    57   0.22500  1.0 3.0
   43    45   -54    73   2.26350  1.0 1.0
   43    45   -54    73   0.76750 -1.0 2.0
   43    45   -54    73   0.22500  1.0 3.0
   43    48    55    56   0.30150 -1.0 2.0
   43    48    55    59   0.36750  1.0 3.0
   45    43   -47    73  -0.25600  1.0 1.0
   45    43   -47    73  -0.40050 -1.0 2.0
   45    43   -47    73   0.34700  1.0 3.0
   45    43    48    33  -0.95700  1.0 1.0
   45    43    48    33  -0.18200 -1.0 2.0
   45    43    48    33   0.29450  1.0 3.0
   45    43    48    49  -0.11250  1.0 3.0
   45    43    48    55   0.11950  1.0 1.0
   45    43    48    55   0.20300 -1.0 2.0
   45    43    48    55  -0.70800  1.0 3.0
   45    54    57    58   3.62500 -1.0 2.0
   45    54    57    60   3.62500 -1.0 2.0
   45    54    73    67   3.62500 -1.0 2.0
   45    54   -73    47   3.62500 -1.0 2.0
   46    45    54    57   1.05000 -1.0 2.0
   46    45    54    73   1.05000 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57    60    66   3.62500 -1.0 2.0
   54    73   -47    43   1.63200 -1.0 2.0
   57    54    73    67   3.62500 -1.0 2.0
   57    54    73    47   3.62500 -1.0 2.0
   57    60   -66    67   3.62500 -1.0 2.0
   57    60    66    69   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    66   3.62500 -1.0 2.0
   60    66    67    68   3.62500 -1.0 2.0
   60    66    67    73   3.62500 -1.0 2.0
   60    66    69    70   0.00000  1.0 1.0
   60    66    69    71   0.00000  1.0 1.0
   60    66    69    72   0.00000  1.0 1.0
   61    60    66    67   3.62500 -1.0 2.0
   61    60    66    69   3.62500 -1.0 2.0
   66    67   -73    54   3.62500 -1.0 2.0
   66    67    73    47   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   67    73    47    43   1.63200 -1.0 2.0
   68    67    73    54   3.62500 -1.0 2.0
   68    67    73    47   3.62500 -1.0 2.0
   73    54    57    58   3.62500 -1.0 2.0
   73    54   -57    60   3.62500 -1.0 2.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43   -45    54   0.65300  1.0 1.0
   47    43   -45    54  -0.03850 -1.0 2.0
   47    43   -45    54   0.33900  1.0 3.0
   47    43    48    33   0.62750  1.0 1.0
   47    43    48    33  -0.30950 -1.0 2.0
   47    43    48    33   0.27300  1.0 3.0
   47    43    48    49   0.23400  1.0 3.0
   47    43    48    55  -0.09450  1.0 1.0
   47    43    48    55  -1.12950 -1.0 2.0
   47    43    48    55   0.54000  1.0 3.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    73   3.62500 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    43    45    46   0.30150 -1.0 2.0
   48    43    45    54   0.05850 -1.0 2.0
   48    43    45    54   0.17250  1.0 3.0
   48    43    47    73  -0.32850  1.0 1.0
   48    43    47    73  -0.35800 -1.0 2.0
   48    43    47    73   0.33950  1.0 3.0
   48    55    59    62   1.63150  1.0 1.0
   48    55    59    62   2.92000 -1.0 2.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    59   0.00000  1.0 1.0
   55    59    62    63   0.08050  1.0 3.0
   55    59    62    64   0.08050  1.0 3.0
   55    59    62    65   0.08050  1.0 3.0
   56    55    59    62   3.00000 -1.0 2.0
   44    42    43    45   0.09700  1.0 1.0
   44    42    43    45   0.15600 -1.0 2.0
   44    42    43    45  -0.50800  1.0 3.0
   44    42    43    47   0.09700  1.0 1.0
   44    42    43    47   0.15600 -1.0 2.0
   44    42    43    47  -0.50800  1.0 3.0
   44    42    43    48   0.09700  1.0 1.0
   44    42    43    48   0.15600 -1.0 2.0
   44    42    43    48  -0.50800  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
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
   43    54    45    46  10.50000 -1.0 2.0
   57    73    54    45   4.00000 -1.0 2.0
   60    58    57    54   4.00000 -1.0 2.0
   66    61    60    57   1.10000 -1.0 2.0
   67    69    66    60   4.00000 -1.0 2.0
   73    68    67    66   1.10000 -1.0 2.0
   67    47    73    54   4.00000 -1.0 2.0
   48    59    55    56  10.50000 -1.0 2.0
END
