* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    135    215     396
    1     0 S   NP   _N1_     1    31.31632    88.53046   -24.56817
    2     1 S   H    _HN1     2     1.02804   135.70904   -70.24873
    3     1 S   H    _H1_     3     1.03042    95.09863    51.50936
    4     1 S   H    _H2_     4     1.02930    28.28099   -65.30404
    5     1 S   CT   _CA1     5     1.50647    92.34841   163.80255
    6     5 S   HC   _HA1     6     1.09699   104.56482    86.03203
    7     5 S   CO3  _C1_     7     1.54297   110.84661   -29.59177
    8     7 S   O2Z  _O11     8     1.26026   116.68300  -114.80776
    9     7 S   O2Z  _O12     9     1.26563   113.83031    63.56438
   10     5 S   CT   _CB1    10     1.53128   107.01294  -158.35893
   11    10 S   HC   HB11    11     1.09794   109.18883   -46.37677
   12    10 S   HC   HB12    12     1.09739   110.25432    70.15867
   13    10 S   CT   _CG1    13     1.53155   112.99512  -167.43937
   14    13 S   HC   HG11    14     1.09471   110.60018   -64.13626
   15    13 S   HC   HG12    15     1.09644   110.16163    54.83911
   16    13 S   C    _CD1    16     1.51969   112.02316   174.16407
   17    16 S   O    _OE1    17     1.22769   123.01286   -21.62521
   18    16 S   N    _N2_    18     1.38584   112.24495   160.40371
   19    18 S   H    _HN2    19     1.01580   119.13874     0.21670
   20    18 S   CT1  _CA2    20     1.46174   123.19123   177.69930
   21    20 S   HC   _HA2    21     1.09545   109.25403    -6.17193
   22    20 S   C    _C2_    22     1.53492   108.60643  -121.09067
   23    22 S   O    _O2_    23     1.23047   122.28589  -149.17779
   24    20 S   CT   _CB2    32     1.53379   111.86451   116.40308
   25    24 S   HC   HB21    33     1.09677   109.30950    59.48366
   26    24 S   HC   HB22    34     1.09416   111.16961   176.32869
   27    22 S   N    _N3_    24     1.38345   113.60901    38.44096
   28    27 S   H    _HN3    25     1.01634   119.52056    -3.62239
   29    24 S   S    _SG2    35     1.82970   114.53808   -59.70322
   30    27 S   CT   _CA3    26     1.45291   123.11661   176.88857
   31    30 S   HC   HA31    27     1.09551   107.54991   -63.51597
   32    30 S   HC   HA32    28     1.09559   107.92067    52.88869
   33    29 S   CT   _C20    36     1.84101   101.16813   -70.58999
   34    33 S   HC   _H3_    37     1.09462   108.65008    48.27969
   35    30 S   CO3  _C3_    29     1.52929   114.14117   174.89531
   36    35 S   O2Z  _O31    30     1.26361   116.05385     0.50590
   37    35 S   O2Z  _O32    31     1.26425   114.41545  -179.44964
   38    33 S   CHZ  _C15    38     1.52829   106.79434   164.46604
   39    38 S   CM   _C16    39     1.49587   117.17707    85.19122
   40    39 S   HC   _H14    40     1.08364   117.92215  -166.05870
   41    38 S   NI   _N7_    50     1.29737   115.49682   -92.76556
   42    39 S   CM   _C17    41     1.33958   121.82816    12.17965
   43    41 S   NE   _N6_    51     1.34527   119.21651  -179.84934
   44    43 S   H    _H13    52     1.01186   122.47645    13.85138
   45    42 S   CO4  _C18    42     1.48679   120.98065     3.18825
   46    45 S   O    _O35    43     1.22920   121.15632  -172.42684
   47    42 S   CO3  _C21    47     1.53308   117.80028  -178.86910
   48    47 S   O2Z  _O37    48     1.26505   115.59373    47.32668
   49    47 S   O2Z  _O36    49     1.26429   115.22850  -131.94948
   50    43 S   CA   _C12    53     1.40500   119.59211  -167.69666
   51    33 S   CT   _C19    44     1.52027   113.49475   -73.44819
   52    51 S   HC   _H15    45     1.09749   109.90353   171.59730
   53    51 S   HC   _H16    46     1.09450   111.47698    53.08472
   54    50 S   CA   _C11    54     1.40367   122.21385    -3.02265
   55    54 S   HA   _H10    55     1.08675   120.54064    -2.78446
   56    54 S   CA   _C10    56     1.39470   121.25177   176.67022
   57    56 S   HA   _H9_    57     1.08527   118.97225  -179.79252
   58    56 S   CA   _C9_    58     1.39085   119.36774    -0.12033
   59    58 S   CA   _C14    59     1.39336   120.79428     1.55620
   60    59 S   HA   _H12    60     1.08592   121.37865   179.23613
   61    58 S   SY   _S1_    63     1.76796   119.17814  -176.87237
   62    61 S   OY   _O33    64     1.45149   107.77684    19.15602
   63    61 S   OY   _O34    65     1.44994   106.00860  -111.12458
   64    50 S   CA   _C13    61     1.40414   119.58699   174.73415
   65    64 S   HA   _H11    62     1.08791   120.12567     2.16537
   66    61 S   NE   _N5_    66     1.69256   103.84198   134.71213
   67    66 S   H    _H8_    67     1.02505   118.90887   106.41297
   68    66 S   CA   _C7_    68     1.43029   122.59037   -61.37312
   69    68 S   CA   _C8_    69     1.39030   118.00535   176.03385
   70    69 S   HA   _H7_    70     1.08503   121.64382    -0.34035
   71    69 S   CA   _C4_    71     1.39124   118.36895   179.93439
   72    71 S   HA   _H4_    72     1.08599   120.19278   179.73607
   73    71 S   CA   _C5_    73     1.38814   119.60429    -0.09279
   74    73 S   HA   _H5_    74     1.08405   121.14646   179.65850
   75    73 S   CA   _C6_    75     1.38423   117.83197    -0.36530
   76    75 S   HA   _H6_    76     1.08398   120.41900   179.67918
   77    68 S   NB   _N4_    77     1.35150   118.64305    -5.11313
  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
  12   7   2   1   1  12  10   4   7   8   8   3   7   4   3   1
   1   9   2   1   1   8   4   9   3  10   7   3   8   4   3   1
   1   7   3   8   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    51    52    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    45    46    51    52    53    41    43  
   38    39    45    51    52    53    41  
   36    37  
   37  
    0  
   39    40    42    45    51    52    53    47    41    43    44    50  
   40    42    45    46    51    47    48    49    41    43  
   42    45    47    41  
   43    44    50    54    64    42    51  
   45    46    51    52    53    47    48    49  
   44    50    54    55    56    59    64    65  
   50    54    64  
   46    51    52    53    47    48    49  
   51    52    53    47  
   48    49    51  
   49  
    0  
   54    55    56    57    58    59    60    64    65  
   52    53  
   53  
    0  
   55    56    57    58    59    64    65    61  
   56    57    58    64  
   57    58    59    60    64    61    62    63    66  
   58    59    61  
   59    60    64    65    61    62    63    66    67    68  
   60    64    65    61    62    63    66  
   64    65    61  
   62    63    66    67    68    69    77    64  
   63    66    67    68  
   66    67    68  
   65  
    0  
   67    68    69    70    71    75    77  
   68    69    77  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.155400   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   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   42   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   62   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   63   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.610600   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.685000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   77   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
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   285.000  1.496
   33    51   268.000  1.529
   38    39   360.000  1.437
   38    41   645.000  1.280
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    45   320.000  1.462
   42    47   230.000  1.545
   45    46   570.000  1.229
   45    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   47    48   656.000  1.250
   47    49   656.000  1.250
   41    43   355.000  1.315
   43    44   434.000  1.010
   43    50   481.000  1.340
   50    54   469.000  1.400
   50    64   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   225.000  1.779
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   61    62   735.000  1.471
   61    63   735.000  1.471
   61    66   220.000  1.729
   66    67   434.000  1.010
   66    68   481.000  1.340
   68    69   469.000  1.400
   68    77   483.000  1.339
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   483.000  1.339
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  114.43000
   29    33    51    75.00000  111.63000
   33    38    39    55.00000  127.86000
   33    38    41    65.00000  122.16000
   33    51    45    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   38    33    34    45.00000  110.40700
   38    39    40    35.00000  118.70300
   38    39    42    70.00000  117.49700
   38    41    43    85.00000  114.46500
   39    42    45    65.00000  118.96000
   39    42    47    55.00000  124.75400
   42    39    40    35.00000  120.00000
   42    45    46    80.00000  123.72100
   42    45    51    65.00000  118.62400
   42    47    48    85.00000  113.83300
   42    47    49    85.00000  113.83300
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    75.00000  111.15500
   51    45    46    80.00000  120.40000
   53    51    52    33.00000  107.80000
   47    42    45    55.00000  123.68000
   49    47    48    80.00000  126.00000
   41    38    39    65.00000  123.49500
   41    43    44    50.00000  117.11400
   41    43    50    75.00000  120.05000
   43    50    54    70.00000  120.10000
   43    50    64    70.00000  120.10000
   50    43    44    35.00000  113.50000
   50    54    55    35.00000  120.00000
   50    54    56    63.00000  120.00000
   50    64    59    63.00000  120.00000
   50    64    65    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    65.00000  117.06700
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62   100.00000  107.67100
   58    61    63   100.00000  107.67100
   58    61    66    90.00000  101.56900
   59    64    65    35.00000  120.00000
   64    50    54    63.00000  120.00000
   64    59    60    35.00000  120.00000
   61    58    59    65.00000  117.06700
   61    66    67    35.00000  114.50000
   61    66    68    85.28000  125.46500
   63    61    62   115.00000  120.17200
   66    61    62   115.00000  105.11000
   66    61    63   115.00000  105.11000
   66    68    69    70.00000  120.10000
   66    68    77    80.00000  117.25000
   68    66    67    35.00000  113.50000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    77    75    70.00000  117.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   77    68    69    70.00000  124.00000
   77    75    76    35.00000  116.00000
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  -0.62250  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.00000  1.0 1.0
   29    33    51    45   0.56750  1.0 1.0
   29    33    51    45  -0.07550 -1.0 2.0
   29    33    51    45   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42   0.69550 -1.0 2.0
   33    38    41    43   6.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    45  -0.11250  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    53   0.15000  1.0 3.0
   38    33    51    45  -0.98800  1.0 1.0
   38    33    51    45   0.48800 -1.0 2.0
   38    33    51    45   0.76800  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.15000  1.0 3.0
   38    39   -42    45   7.00000 -1.0 2.0
   38    39    42    47   7.00000 -1.0 2.0
   38    41    43    44   2.00000 -1.0 2.0
   38    41    43    50   2.00000 -1.0 2.0
   39    38    41    43   6.00000 -1.0 2.0
   39    42    45    46   1.00000 -1.0 2.0
   39    42    45    51  -0.33500  1.0 1.0
   39    42    45    51   1.06600 -1.0 2.0
   39    42    45    51  -0.14000  1.0 3.0
   39    42    47    48  -0.04000 -1.0 2.0
   39    42    47    48  -0.29050  1.0 3.0
   39    42    47    49  -0.04000 -1.0 2.0
   39    42    47    49  -0.29050  1.0 3.0
   40    39    42    45   7.00000 -1.0 2.0
   40    39    42    47   7.00000 -1.0 2.0
   42    45   -51    33   0.65300  1.0 1.0
   42    45   -51    33  -0.03850 -1.0 2.0
   42    45   -51    33   0.33900  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    53   0.00000  1.0 1.0
   45    42    47    48   1.68800 -1.0 2.0
   45    42    47    49   1.68800 -1.0 2.0
   46    45    51    33   0.30150 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.00000  1.0 1.0
   47    42    45    46   2.50000 -1.0 2.0
   47    42    45    51   1.50000 -1.0 2.0
   41    38    39    40   1.00600 -1.0 2.0
   41    38    39    42   1.09650  1.0 1.0
   41    38    39    42   0.48950 -1.0 2.0
   41    38    39    42   0.49400  1.0 3.0
   41    43    50    54   0.75000 -1.0 2.0
   41    43    50    64   0.75000 -1.0 2.0
   43    50    54    55   3.62500 -1.0 2.0
   43    50    54    56   3.62500 -1.0 2.0
   43    50    64    59   3.62500 -1.0 2.0
   43    50    64    65   3.62500 -1.0 2.0
   44    43    50    54   1.00000 -1.0 2.0
   44    43    50    64   1.00000 -1.0 2.0
   50    54    56    57   3.62500 -1.0 2.0
   50    54    56    58   3.62500 -1.0 2.0
   54    50    64    59   3.62500 -1.0 2.0
   54    50    64    65   3.62500 -1.0 2.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    56    58    61   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    64   3.62500 -1.0 2.0
   56    58    61    62   0.19500  1.0 1.0
   56    58    61    62   0.12000 -1.0 2.0
   56    58    61    63   0.19500  1.0 1.0
   56    58    61    63   0.12000 -1.0 2.0
   56    58    61    66  -0.25000 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59   -64    50   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    61    66    67   0.00000  1.0 1.0
   58    61    66    68  -1.00000  1.0 1.0
   58    61    66    68   0.50000  1.0 3.0
   59    58    61    62   0.19500  1.0 1.0
   59    58    61    62   0.12000 -1.0 2.0
   59    58    61    63   0.19500  1.0 1.0
   59    58    61    63   0.12000 -1.0 2.0
   59    58    61    66  -0.25000 -1.0 2.0
   60    59    64    50   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   64    50    54    55   3.62500 -1.0 2.0
   64    50   -54    56   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    68    69   0.75000 -1.0 2.0
   61    66    68    77   0.96250 -1.0 2.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    71   3.62500 -1.0 2.0
   66    68    77    75   3.62500 -1.0 2.0
   67    66    68    69   1.00000 -1.0 2.0
   67    66    68    77   1.75000 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    77    75   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    68   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    68   3.62500 -1.0 2.0
   77    68    69    70   3.62500 -1.0 2.0
   77    68   -69    71   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  10.50000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   45    47    42    39   1.10000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   48    42    47    49  10.50000 -1.0 2.0
   44    50    43    41   1.00000 -1.0 2.0
   54    64    50    43   4.00000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   59    65    64    50   1.10000 -1.0 2.0
   67    61    66    68   1.00000 -1.0 2.0
   69    77    68    66   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
END
