* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    130    209     385
    1     0 S   NP   _N1_     1    28.64869    94.21386   -20.79025
    2     1 S   H    _HN1     2     1.02793    89.94050   -66.46451
    3     1 S   H    _H1_     3     1.02952    96.25477    41.84065
    4     1 S   H    _H2_     4     1.02847    25.90758   158.95786
    5     1 S   CT   _CA1     5     1.50125   136.32423   170.61879
    6     5 S   HC   _HA1     6     1.09595   105.20663    54.22271
    7     5 S   CO3  _C1_     7     1.53745   111.98656   -65.62387
    8     7 S   O2Z  _O11     8     1.26369   115.19158   -55.81492
    9     7 S   O2Z  _O12     9     1.26225   114.86994   123.23569
   10     5 S   CT   _CB1    10     1.53087   107.33287   171.60798
   11    10 S   HC   HB11    11     1.09811   109.09305   -52.64853
   12    10 S   HC   HB12    12     1.09820   110.60604    63.75423
   13    10 S   CT   _CG1    13     1.53024   112.69115  -173.94006
   14    13 S   HC   HG11    14     1.09412   110.25600   -62.07123
   15    13 S   HC   HG12    15     1.09624   110.27487    56.77456
   16    13 S   C    _CD1    16     1.51821   111.77443   176.22893
   17    16 S   O    _OE1    17     1.22807   122.70766   -24.69538
   18    16 S   N    _N2_    18     1.38536   112.28753   157.33960
   19    18 S   H    _HN2    19     1.01599   119.26871    -1.75055
   20    18 S   CT1  _CA2    20     1.46260   123.19450   178.45845
   21    20 S   HC   _HA2    21     1.09731   109.36381   -11.37640
   22    20 S   C    _C2_    22     1.53478   108.21838  -126.93193
   23    22 S   O    _O2_    23     1.23031   122.28664  -146.26218
   24    20 S   CT   _CB2    32     1.53394   111.80944   110.83485
   25    24 S   HC   HB21    33     1.09416   109.48466    57.45011
   26    24 S   HC   HB22    34     1.09505   109.98315   175.64814
   27    22 S   N    _N3_    24     1.38528   113.41536    41.13079
   28    27 S   H    _HN3    25     1.01520   118.87244    -0.66676
   29    24 S   S    _SG2    35     1.82890   111.79291   -65.14300
   30    27 S   CT   _CA3    26     1.45429   123.42953   175.24375
   31    30 S   HC   HA31    27     1.09526   109.19778    25.31052
   32    30 S   HC   HA32    28     1.09496   107.13638   142.28796
   33    29 S   CT   _C12    36     1.86576   101.12755   155.73079
   34    33 S   OM   _O39    37     1.32130   108.77966  -179.60933
   35    30 S   CO3  _C3_    29     1.52916   113.11772   -98.15017
   36    35 S   O2Z  _O31    30     1.26402   115.40079   -45.25070
   37    35 S   O2Z  _O32    31     1.26355   114.99052   135.69604
   38    33 S   CT   _C13    38     1.57016   108.29028    63.03909
   39    38 S   HC   _H3_    39     1.09895   107.63708   -60.96896
   40    33 S   OS   _O33    57     1.45186   114.18535   -52.87026
   41    38 S   CT   _C14    40     1.54067   116.37936  -179.90721
   42    41 S   HC   _H4_    41     1.09507   113.47034   -39.64305
   43    40 S   C5B  _C10    58     1.35919   119.81884   -49.74034
   44    41 S   CT   _C15    42     1.51632   100.65620  -157.70557
   45    44 S   HC   _H5_    43     1.09760   109.93019   -77.03643
   46    41 S   OH   _O38    55     1.41950   113.24983    83.46993
   47    46 S   HO   _H17    56     0.97190   108.49322    48.22911
   48    43 S   C5A  _C11    59     1.37694   128.85542   -33.40731
   49    48 S   HA   _H10    60     1.08049   132.55521     1.27809
   50    44 S   CO   _C16    44     1.52721   101.31411    40.90020
   51    44 S   OH   _O37    53     1.41530   112.92444   162.36117
   52    51 S   HO   _H16    54     0.97284   107.20197    50.31502
   53    48 S   NA   _N4_    61     1.37079   107.70971  -178.66822
   54    53 S   H    _H11    62     1.01246   125.00000  -178.69149
   55    38 S   OS   _O34    45     1.44949   113.73530    56.04023
   56    50 S   CT   _C17    46     1.52672   112.37601  -159.13149
   57    56 S   HC   _H12    47     1.09467   111.08437    62.21652
   58    56 S   HC   _H13    48     1.09461   111.00081   -60.25787
   59    50 S   OH   _O36    51     1.42848   109.75587    78.75042
   60    59 S   HO   _H15    52     0.97273   106.52629   165.82841
   61    53 S   C56A _C7_    63     1.37634   110.30207     0.71518
   62    56 S   OH   _O35    49     1.42647   109.48634  -178.82247
   63    62 S   HO   _H14    50     0.97237   107.00052  -178.07929
   64    61 S   CA   _C6_    64     1.39923   130.18509  -179.96044
   65    64 S   HA   _H8_    65     1.08500   121.43862    -0.06256
   66    64 S   CA   _C5_    66     1.39767   117.58177   179.87646
   67    66 S   HA   _H7_    67     1.08709   119.35743  -179.91844
   68    66 S   CA   _C4_    68     1.39326   121.03517     0.13270
   69    68 S   HA   _H6_    69     1.08674   119.74355   179.98022
   70    68 S   CA   _C9_    70     1.39927   120.71382    -0.05595
   71    70 S   HA   _H9_    71     1.08620   120.14700  -179.79064
   72    43 S   C56B _C8_    72     1.42411   123.30331   149.38665
  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
  13   6   2   1   1  14   7   9  11   7  10  13   7   4   1   7
   4  10   4   1   7   3   6   6   4   3   2   1   8   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    55    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    44    50    55    46    40    43    48    72  
   38    39    41    55    40    43  
   36    37  
   37  
    0  
   39    41    42    44    45    50    55    56    59    51    46    47    40    43  
   41    42    44    50    55    46    40  
   43    48    49    53    61    70    72    41    55  
   42    44    45    50    55    56    59    51    52    46    47  
   44    45    50    55    51    46    47  
   48    49    53    54    61    64    68    70    71    72  
   45    50    55    56    57    58    62    59    60    51    52    46    47  
   50    55    56    59    51    52    46  
   47    50    51    55  
    0  
   49    53    54    61    64    70    72  
   53    54    61    72  
   55    56    57    58    62    63    59    60    51    52  
   52    55    56    59  
    0  
   54    61    64    65    66    70    72  
   61    64    72  
   56    57    58    62    59    60  
   57    58    62    63    59    60  
   58    62    63    59  
   62    63    59  
   60    62  
    0  
   64    65    66    67    68    70    71    72  
   63  
    0  
   65    66    67    68    69    70    72  
   66    67    68    72  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.019000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   54   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.123300   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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    55   320.000  1.410
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   320.000  1.410
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    51   320.000  1.410
   50    55   320.000  1.380
   50    56   250.000  1.527
   50    59   380.000  1.407
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   320.000  1.410
   62    63   553.000  0.945
   59    60   553.000  0.945
   51    52   553.000  0.945
   46    47   553.000  0.945
   40    43   480.000  1.345
   43    48   520.000  1.370
   43    72   380.000  1.440
   48    49   367.000  1.080
   48    53   427.000  1.381
   53    54   434.000  1.010
   53    61   428.000  1.380
   61    64   469.000  1.400
   61    72   447.000  1.419
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.404
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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    55    50.00000  109.50000
   33    40    43    90.00000  112.30700
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    44    58.35000  112.70000
   38    41    46    50.00000  109.50000
   38    55    50    60.00000  109.50000
   41    38    39    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    50    75.00000  109.43000
   41    44    51    50.00000  109.50000
   41    46    47    55.00000  108.50000
   44    41    42    37.50000  110.70000
   44    50    55    90.00000  108.56700
   44    50    56    65.00000  112.71400
   44    50    59    90.00000  110.19100
   44    51    52    55.00000  108.50000
   50    44    45    45.00000  108.72000
   50    56    57    45.00000  108.72000
   50    56    58    45.00000  108.72000
   50    56    62    90.00000  111.58700
   50    59    60    70.00000  107.92000
   55    38    39    35.00000  109.50000
   55    38    41    50.00000  109.50000
   56    50    55    90.00000  108.56700
   56    62    63    55.00000  108.50000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   59    50    55   110.00000  112.08000
   59    50    56    90.00000  110.19100
   51    44    45    35.00000  109.50000
   51    44    50    90.00000  111.58700
   46    41    42    35.00000  109.50000
   46    41    44    50.00000  109.50000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    43    48    75.00000  125.18600
   40    43    72    80.00000  117.00000
   43    48    49    35.00000  130.70000
   43    48    53    70.00000  106.30000
   43    72    61    80.00000  107.43600
   43    72    70    50.00000  134.85500
   48    53    54    35.00000  120.00000
   48    53    61    90.00000  107.14200
   53    48    49    35.00000  121.60000
   53    61    64    70.00000  132.80000
   53    61    72    70.00000  104.40000
   61    53    54    35.00000  123.10000
   61    64    65    35.00000  120.00000
   61    64    66    85.00000  120.00000
   61    72    70    85.00000  116.20000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   72    43    48    80.00000  105.82900
   72    61    64    85.00000  122.70000
   72    70    71    35.00000  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    55   0.56750  1.0 1.0
   29    33    38    55  -0.07550 -1.0 2.0
   29    33    38    55   0.20000  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    38    41    46   0.86500  1.0 1.0
   33    38    41    46  -0.17500 -1.0 2.0
   33    38    41    46   0.20800  1.0 3.0
   33    38    55    50   0.06250  1.0 1.0
   33    38    55    50  -0.01100 -1.0 2.0
   33    38    55    50   0.28050  1.0 3.0
   33    40    43    48   1.63200 -1.0 2.0
   33    40    43    72   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    55   1.11900  1.0 1.0
   34    33    38    55  -1.16350 -1.0 2.0
   34    33    38    55  -0.34150  1.0 3.0
   34    33    40    43  -0.25600  1.0 1.0
   34    33    40    43  -0.40050 -1.0 2.0
   34    33    40    43   0.34700  1.0 3.0
   38    33    40    43  -0.32850  1.0 1.0
   38    33    40    43  -0.35800 -1.0 2.0
   38    33    40    43   0.33950  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    50   3.97050  1.0 1.0
   38    41    44    51   0.86500  1.0 1.0
   38    41    44    51  -0.17500 -1.0 2.0
   38    41    44    51   0.20800  1.0 3.0
   38    41    46    47  -0.11600  1.0 1.0
   38    41    46    47  -0.09450 -1.0 2.0
   38    41    46    47   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   39    38    55    50   0.37050  1.0 3.0
   41    38   -55    50   0.06250  1.0 1.0
   41    38   -55    50  -0.01100 -1.0 2.0
   41    38   -55    50   0.28050  1.0 3.0
   41    44   -50    55   0.62750  1.0 1.0
   41    44   -50    55  -0.30950 -1.0 2.0
   41    44   -50    55   0.27300  1.0 3.0
   41    44    50    56   0.56750  1.0 1.0
   41    44    50    56  -0.07550 -1.0 2.0
   41    44    50    56   0.20000  1.0 3.0
   41    44    50    59   0.86500  1.0 1.0
   41    44    50    59  -0.17500 -1.0 2.0
   41    44    50    59   0.20800  1.0 3.0
   41    44    51    52  -0.11600  1.0 1.0
   41    44    51    52  -0.09450 -1.0 2.0
   41    44    51    52   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    50   0.15000  1.0 3.0
   42    41    44    51   0.23400  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   44    41    46    47  -0.11600  1.0 1.0
   44    41    46    47  -0.09450 -1.0 2.0
   44    41    46    47   0.21250  1.0 3.0
   44    50   -55    38   0.06250  1.0 1.0
   44    50   -55    38  -0.01100 -1.0 2.0
   44    50   -55    38   0.28050  1.0 3.0
   44    50    56    57   0.15000  1.0 3.0
   44    50    56    58   0.15000  1.0 3.0
   44    50    56    62   0.86500  1.0 1.0
   44    50    56    62  -0.17500 -1.0 2.0
   44    50    56    62   0.20800  1.0 3.0
   44    50    59    60  -0.11600  1.0 1.0
   44    50    59    60  -0.09450 -1.0 2.0
   44    50    59    60   0.21250  1.0 3.0
   45    44    50    55   0.23400  1.0 3.0
   45    44    50    56   0.15000  1.0 3.0
   45    44    50    59   0.23400  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   50    44    51    52  -0.11600  1.0 1.0
   50    44    51    52  -0.09450 -1.0 2.0
   50    44    51    52   0.21250  1.0 3.0
   50    56    62    63  -0.11600  1.0 1.0
   50    56    62    63  -0.09450 -1.0 2.0
   50    56    62    63   0.21250  1.0 3.0
   55    38    41    42   0.23400  1.0 3.0
   55    38   -41    44   0.62750  1.0 1.0
   55    38   -41    44  -0.30950 -1.0 2.0
   55    38   -41    44   0.27300  1.0 3.0
   55    38    41    46   3.69350  1.0 1.0
   55    38    41    46  -1.82950 -1.0 2.0
   55    50    56    57   0.23400  1.0 3.0
   55    50    56    58   0.23400  1.0 3.0
   55    50    56    62   3.69350  1.0 1.0
   55    50    56    62  -1.82950 -1.0 2.0
   55    50    59    60  -0.50000  1.0 1.0
   55    50    59    60  -0.73950 -1.0 2.0
   55    50    59    60   0.17150  1.0 3.0
   56    50    55    38   0.06250  1.0 1.0
   56    50    55    38  -0.01100 -1.0 2.0
   56    50    55    38   0.28050  1.0 3.0
   56    50    59    60  -0.11600  1.0 1.0
   56    50    59    60  -0.09450 -1.0 2.0
   56    50    59    60   0.21250  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   58    56    62    63   0.19450  1.0 3.0
   59    50    55    38  -0.70900  1.0 1.0
   59    50    55    38  -1.18000 -1.0 2.0
   59    50    55    38   0.91650  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    62   3.75450  1.0 1.0
   51    44    50    55   3.69350  1.0 1.0
   51    44    50    55  -1.82950 -1.0 2.0
   51    44    50    56   0.86500  1.0 1.0
   51    44    50    56  -0.17500 -1.0 2.0
   51    44    50    56   0.20800  1.0 3.0
   51    44    50    59   3.75450  1.0 1.0
   46    41    44    45   0.23400  1.0 3.0
   46    41    44    50   0.86500  1.0 1.0
   46    41    44    50  -0.17500 -1.0 2.0
   46    41    44    50   0.20800  1.0 3.0
   46    41    44    51   3.75450  1.0 1.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    55   1.11900  1.0 1.0
   40    33    38    55  -1.16350 -1.0 2.0
   40    33    38    55  -0.34150  1.0 3.0
   40    43    48    49   3.62500 -1.0 2.0
   40    43    48    53   3.62500 -1.0 2.0
   40    43    72    61   3.62500 -1.0 2.0
   40    43    72    70   3.62500 -1.0 2.0
   43    48    53    54   1.40000 -1.0 2.0
   43    48   -53    61   3.62500 -1.0 2.0
   48    43   -72    61   3.50000 -1.0 2.0
   48    43    72    70   3.62500 -1.0 2.0
   48    53    61    64   3.62500 -1.0 2.0
   48    53   -61    72   3.62500 -1.0 2.0
   49    48    53    54   2.00000 -1.0 2.0
   49    48    53    61   3.62500 -1.0 2.0
   53    61    64    65   3.62500 -1.0 2.0
   53    61    64    66   3.62500 -1.0 2.0
   53    61   -72    43   3.00000 -1.0 2.0
   53    61    72    70   3.00000 -1.0 2.0
   54    53    61    64   1.52500 -1.0 2.0
   54    53    61    72   1.52500 -1.0 2.0
   61    64    66    67   3.62500 -1.0 2.0
   61    64    66    68   3.62500 -1.0 2.0
   64    61    72    43   3.00000 -1.0 2.0
   64    61    72    70   3.00000 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    43   3.62500 -1.0 2.0
   68    70   -72    61   3.50000 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   71    70    72    43   3.62500 -1.0 2.0
   71    70    72    61   3.50000 -1.0 2.0
   72    43    48    49   3.62500 -1.0 2.0
   72    43   -48    53   3.62500 -1.0 2.0
   72    61    64    65   3.62500 -1.0 2.0
   72    61   -64    66   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
   48    72    43    40   4.00000 -1.0 2.0
   53    49    48    43   1.10000 -1.0 2.0
   54    48    53    61   1.00000 -1.0 2.0
   64    72    61    53   4.00000 -1.0 2.0
   66    65    64    61   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   61    70    72    43   4.00000 -1.0 2.0
END
