* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    131    204     375
    1     0 S   NP   _N1_     1    29.19275    92.96346   -24.83409
    2     1 S   H    _HN1     2     1.02777   118.56833   -92.29914
    3     1 S   H    _H1_     3     1.02957    84.18213    15.43566
    4     1 S   H    _H2_     4     1.02836    22.95926  -159.43600
    5     1 S   CT   _CA1     5     1.50130   118.71818   125.52577
    6     5 S   HC   _HA1     6     1.09575   105.21419    82.93470
    7     5 S   CO3  _C1_     7     1.53786   112.36608   -37.25432
    8     7 S   O2Z  _O11     8     1.26365   114.99681   -43.80094
    9     7 S   O2Z  _O12     9     1.26236   114.93243   135.29774
   10     5 S   CT   _CB1    10     1.53097   107.42196  -159.15610
   11    10 S   HC   HB11    11     1.09827   109.32928   -50.49100
   12    10 S   HC   HB12    12     1.09816   110.42726    66.06507
   13    10 S   CT   _CG1    13     1.53020   112.67304  -171.56101
   14    13 S   HC   HG11    14     1.09593   110.48888   -64.44576
   15    13 S   HC   HG12    15     1.09657   109.91342    54.75093
   16    13 S   C    _CD1    16     1.51849   112.32274   175.11958
   17    16 S   O    _OE1    17     1.22751   123.26483     0.40251
   18    16 S   N    _N2_    18     1.38567   111.69866  -179.57250
   19    18 S   H    _HN2    19     1.01553   118.97505     4.65438
   20    18 S   CT1  _CA2    20     1.45740   122.88013   177.87735
   21    20 S   HC   _HA2    21     1.09779   108.75474    23.71112
   22    20 S   C    _C2_    22     1.52845   107.70793   -92.81038
   23    22 S   O    _O2_    23     1.22930   123.11775   -29.23495
   24    20 S   CT   _CB2    32     1.53231   112.05411   146.97981
   25    24 S   HC   HB21    33     1.09542   110.86637    42.91459
   26    24 S   HC   HB22    34     1.09190   109.69665   161.53692
   27    22 S   N    _N3_    24     1.38641   112.24070   153.49864
   28    27 S   H    _HN3    25     1.01682   120.22532    -2.10487
   29    24 S   S    _SG2    35     1.82731   109.98216   -77.43860
   30    27 S   CT   _CA3    26     1.45294   122.66469   178.39697
   31    30 S   HC   HA31    27     1.09568   107.43691   -61.43123
   32    30 S   HC   HA32    28     1.09551   107.97480    54.87498
   33    29 S   CT   _C22    36     1.84781   101.26300  -157.76598
   34    33 S   OM   _O20    37     1.31878   110.18775   173.16321
   35    30 S   CO3  _C3_    29     1.52936   114.21797   176.55753
   36    35 S   O2Z  _O31    30     1.26331   116.05932   -13.09298
   37    35 S   O2Z  _O32    31     1.26433   114.42802   167.12926
   38    33 S   CT   _C21    38     1.54463   106.73989   -71.70415
   39    38 S   HC   _H37    39     1.09722   111.35925    65.58131
   40    38 S   HC   _H38    40     1.09829   113.34225   -56.78811
   41    38 S   HC   _H39    41     1.09992   111.21317  -177.83463
   42    33 S   OS   _O26    42     1.44693   115.72835    43.98589
   43    42 S   CA   _C15    43     1.37045   123.91264    53.41923
   44    43 S   CA   _C6_    44     1.40299   113.69908  -164.01476
   45    44 S   HA   _H30    45     1.08853   119.60292    -0.81229
   46    43 S   CA   _C8_    72     1.39761   126.02178    15.63664
   47    46 S   HA   _H32    73     1.08148   123.52173     1.84462
   48    44 S   CA   _C4_    46     1.40131   121.81385   178.00983
   49    48 S   HA   _H28    47     1.08582   120.16005  -178.88495
   50    48 S   C56B _C10    48     1.40394   118.55899     0.14127
   51    50 S   C5B  _C12    49     1.42254   136.00511  -178.89465
   52    51 S   C5A  _C17    50     1.37989   106.32167   179.52440
   53    51 S   CO4  _C18    61     1.44557   131.00596    -0.25564
   54    53 S   O    _O21    62     1.22572   123.60193    -1.68342
   55    52 S   CA   _C11    51     1.39309   121.71685  -179.44503
   56    52 S   OA   _O23    70     1.36067   110.63469     0.50474
   57    55 S   CA   _C5_    52     1.40667   122.81524   179.78971
   58    57 S   HA   _H29    53     1.08684   121.05240    -0.08393
   59    50 S   C56A _C13    71     1.39082   118.21640     0.79623
   60    57 S   CA   _C7_    54     1.39520   119.37397  -179.87333
   61    60 S   HA   _H31    55     1.08604   119.98551   179.59993
   62    60 S   CA   _C16    56     1.39886   119.47107    -0.54715
   63    62 S   CA   _C9_    57     1.39529   121.95439     1.34654
   64    63 S   HA   _H33    58     1.08518   120.86469   178.84005
   65    62 S   OS   _O25    63     1.39778   118.92720   178.42554
   66    55 S   CA   _C14    59     1.40447   117.15483     0.10468
   67    65 S   CO4  _C19    64     1.39013   112.75192    92.03333
   68    67 S   O    _O22    65     1.22380   127.09324    -0.04846
   69    66 S   OS   _O24    60     1.41649   121.95696    -0.12033
   70    67 S   CT   _C20    66     1.49991   108.68724   179.95577
   71    70 S   HC   _H34    67     1.09286   109.82527   -60.92907
   72    70 S   HC   _H35    68     1.09379   109.32353  -179.94766
   73    70 S   HC   _H36    69     1.09286   109.82452    61.01987
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   7   3   7
   3   8   9  11   7   2  11   3   8   4   1   7   3   8   5   3
   7   1   5   4   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    48    59    46    47  
   44    45    48    49    50    56    59    46    47  
   45    48    49    50    51    59    46    47  
   48    49    50    46  
   47    48    50    51    52    56    59  
   50    56    59  
   49    50    51    52    53    56    59  
   50    51    59  
   51    52    55    69    53    54    56    59  
   52    55    57    66    69    53    54    56    59  
   55    57    58    60    63    66    69    53    54    56    59  
   54    56    59    55    63    66    69  
   66    69  
   57    58    60    61    62    63    64    66    69    56    59  
   59    57    66  
   58    60    61    62    63    66    69    65  
   60    61    62    66  
    0  
   61    62    63    64    66    65    67  
   62    63    65  
   63    64    66    69    65    67    68    70  
   64    66    69    65    67  
   66    69    65  
   67    68    70    71    72    73    66  
   69  
   68    70    71    72    73  
   70    71    72    73  
    0  
   71    72    73  
   72    73  
   73  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.387700   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.251300   2.5000   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    46   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.404
   50    51   380.000  1.440
   50    59   447.000  1.419
   51    52   520.000  1.370
   51    53   345.000  1.446
   52    55   365.000  1.450
   52    56   340.000  1.360
   55    57   469.000  1.400
   55    66   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    69   450.000  1.364
   69    53   214.000  1.327
   53    54   570.000  1.229
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    59   425.000  1.380
   59    46   469.000  1.400
   46    47   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    46    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    59    85.00000  120.00000
   43    46    47    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    50    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    50    51    50.00000  134.85500
   48    50    59    85.00000  116.20000
   50    48    49    35.00000  120.00000
   50    51    52    80.00000  105.82900
   50    51    53    50.00000  130.14000
   50    59    56   100.00000  108.43400
   50    59    46    85.00000  122.70000
   51    52    55    55.00000  129.85000
   51    52    56    70.00000  108.00000
   51    53    69    90.00000  113.34000
   51    53    54    75.00000  126.12000
   52    55    57    65.00000  121.65900
   52    55    66    65.00000  121.65900
   52    56    59   110.00000  105.28000
   55    57    58    35.00000  120.00000
   55    57    60    63.00000  120.00000
   55    66    63    63.00000  120.00000
   55    66    69    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    62    63.00000  120.00000
   60    57    58    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    65    70.00000  120.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    66    63.00000  120.00000
   62    65    67    85.00000  115.98000
   63    66    69    70.00000  120.00000
   66    55    57    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    69    53    85.00000  115.98000
   69    53    54    83.00000  123.40000
   53    51    52    60.00000  123.95000
   65    62    63    70.00000  120.00000
   65    67    68    83.00000  123.40000
   65    67    70    81.00000  111.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   70    67    68    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    52    55    80.00000  116.57000
   56    59    46    70.00000  124.10000
   59    50    51    80.00000  107.43600
   59    46    47    35.00000  120.00000
   46    43    44    63.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    46   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    59   3.62500 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44    48    50   3.62500 -1.0 2.0
   44    43    46    59   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48   -50    59   3.50000 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    50   3.62500 -1.0 2.0
   48    50    51    52   3.62500 -1.0 2.0
   48    50    51    53   3.62500 -1.0 2.0
   48    50    59    56   3.62500 -1.0 2.0
   48    50    59    46   3.00000 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    59   3.50000 -1.0 2.0
   50    51    52    55   3.62500 -1.0 2.0
   50    51   -52    56   3.62500 -1.0 2.0
   50    51    53    69   0.98750 -1.0 2.0
   50    51    53    54   1.05000 -1.0 2.0
   50    59   -46    43   3.62500 -1.0 2.0
   50    59    46    47   3.62500 -1.0 2.0
   51    50   -59    56   3.62500 -1.0 2.0
   51    50    59    46   3.00000 -1.0 2.0
   51    52    55    57  -0.19450  1.0 1.0
   51    52    55    57   0.63300 -1.0 2.0
   51    52    55    57   0.07450  1.0 3.0
   51    52    55    66  -0.19450  1.0 1.0
   51    52    55    66   0.63300 -1.0 2.0
   51    52    55    66   0.07450  1.0 3.0
   51    52   -56    59   3.62500 -1.0 2.0
   52    51    53    69   0.98750 -1.0 2.0
   52    51    53    54   1.05000 -1.0 2.0
   52    55    57    58   3.62500 -1.0 2.0
   52    55    57    60   3.62500 -1.0 2.0
   52    55    66    63   3.62500 -1.0 2.0
   52    55   -66    69   3.62500 -1.0 2.0
   52    56   -59    50   3.62500 -1.0 2.0
   52    56    59    46   3.62500 -1.0 2.0
   55    52    56    59   3.62500 -1.0 2.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    62   3.62500 -1.0 2.0
   55    66    69    53   0.01300  1.0 1.0
   55    66    69    53   0.97950 -1.0 2.0
   55    66    69    53  -0.55700  1.0 3.0
   57    55    66    63   3.62500 -1.0 2.0
   57    55    66    69   3.62500 -1.0 2.0
   57    60   -62    63   3.62500 -1.0 2.0
   57    60    62    65   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    66   3.62500 -1.0 2.0
   60    62    65    67   0.01300  1.0 1.0
   60    62    65    67   0.97950 -1.0 2.0
   60    62    65    67  -0.55700  1.0 3.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   62    63   -66    55   3.62500 -1.0 2.0
   62    63    66    69   3.62500 -1.0 2.0
   62    65    67    68   3.00000 -1.0 2.0
   62    65    67    70   0.75600  1.0 1.0
   62    65    67    70   1.63000 -1.0 2.0
   63    62    65    67   0.01300  1.0 1.0
   63    62    65    67   0.97950 -1.0 2.0
   63    62    65    67  -0.55700  1.0 3.0
   63    66    69    53   0.01300  1.0 1.0
   63    66    69    53   0.97950 -1.0 2.0
   63    66    69    53  -0.55700  1.0 3.0
   64    63    66    55   3.62500 -1.0 2.0
   64    63    66    69   3.62500 -1.0 2.0
   66    55    57    58   3.62500 -1.0 2.0
   66    55   -57    60   3.62500 -1.0 2.0
   66    69   -53    51   2.00000 -1.0 2.0
   66    69    53    54   3.00000 -1.0 2.0
   53    51   -52    55   3.62500 -1.0 2.0
   53    51    52    56   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    66   3.62500 -1.0 2.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    72   0.00000  1.0 1.0
   65    67    70    73   0.00000  1.0 1.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
   56    52    55    57  -0.02050  1.0 1.0
   56    52    55    57   0.57800 -1.0 2.0
   56    52    55    57  -0.12500  1.0 3.0
   56    52    55    66  -0.02050  1.0 1.0
   56    52    55    66   0.57800 -1.0 2.0
   56    52    55    66  -0.12500  1.0 3.0
   56    59    46    43   3.62500 -1.0 2.0
   56    59    46    47   3.62500 -1.0 2.0
   59    50   -51    52   3.50000 -1.0 2.0
   59    50    51    53   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43   -44    48   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   50    49    48    44   1.10000 -1.0 2.0
   51    59    50    48   4.00000 -1.0 2.0
   52    53    51    50   4.00000 -1.0 2.0
   55    56    52    51   4.00000 -1.0 2.0
   57    66    55    52   4.00000 -1.0 2.0
   60    58    57    55   1.10000 -1.0 2.0
   62    61    60    57   1.10000 -1.0 2.0
   63    65    62    60   4.00000 -1.0 2.0
   66    64    63    62   1.10000 -1.0 2.0
   63    69    66    55   4.00000 -1.0 2.0
   51    69    53    54  10.50000 -1.0 2.0
   65    70    67    68  10.50000 -1.0 2.0
   56    46    59    50   4.00000 -1.0 2.0
   59    47    46    43   1.10000 -1.0 2.0
END
