* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    111    166     323
    1     0 S   NP   _N1_     1    28.90439    94.72557   -25.17385
    2     1 S   H    _HN1     2     1.02788   116.58335   -97.01925
    3     1 S   H    _H1_     3     1.02948    80.60464     8.90786
    4     1 S   H    _H2_     4     1.02827    26.49410  -173.49365
    5     1 S   CT   _CA1     5     1.50113   122.91981   117.20242
    6     5 S   HC   _HA1     6     1.09573   105.18228    85.74835
    7     5 S   CO3  _C1_     7     1.53774   112.49713   -34.48460
    8     7 S   O2Z  _O11     8     1.26373   115.00204   -41.98428
    9     7 S   O2Z  _O12     9     1.26240   114.94519   137.13458
   10     5 S   CT   _CB1    10     1.53073   107.42017  -156.25894
   11    10 S   HC   HB11    11     1.09836   109.34364   -49.57334
   12    10 S   HC   HB12    12     1.09812   110.46055    67.02710
   13    10 S   CT   _CG1    13     1.53005   112.62777  -170.53448
   14    13 S   HC   HG11    14     1.09575   110.68806   -66.68215
   15    13 S   HC   HG12    15     1.09671   109.73403    52.56181
   16    13 S   C    _CD1    16     1.51800   112.12186   173.03232
   17    16 S   O    _OE1    17     1.22742   123.24606     9.87681
   18    16 S   N    _N2_    18     1.38659   111.75154  -170.19462
   19    18 S   H    _HN2    19     1.01577   118.93548     1.47140
   20    18 S   CT1  _CA2    20     1.46189   123.35260   176.77536
   21    20 S   HC   _HA2    21     1.09736   109.34560     5.15928
   22    20 S   C    _C2_    22     1.53600   108.66262  -110.34307
   23    22 S   O    _O2_    23     1.23067   122.25789  -147.73549
   24    20 S   CT   _CB2    32     1.53297   111.68364   127.18887
   25    24 S   HC   HB21    33     1.09591   110.14994    56.51118
   26    24 S   HC   HB22    34     1.09463   109.91612   175.49550
   27    22 S   N    _N3_    24     1.38311   113.76784    39.66653
   28    27 S   H    _HN3    25     1.01566   119.63331    -3.13893
   29    24 S   S    _SG2    35     1.82823   111.56255   -64.31439
   30    27 S   CT   _CA3    26     1.45289   123.25627   177.23586
   31    30 S   HC   HA31    27     1.09547   107.49742   -65.07430
   32    30 S   HC   HA32    28     1.09555   108.01096    51.38280
   33    29 S   CT   _C15    36     1.84001    99.54038   178.61718
   34    33 S   HC   _H3_    37     1.09496   103.46755   -47.26699
   35    30 S   CO3  _C3_    29     1.52974   114.04420   173.38675
   36    35 S   O2Z  _O31    30     1.26382   116.06439    -0.72308
   37    35 S   O2Z  _O32    31     1.26426   114.41661   179.33943
   38    33 S   CA   _C6_    38     1.52459   114.31356    67.56928
   39    33 S   CM   _C10    53     1.52013   109.81773  -163.42237
   40    38 S   CA   _C4_    39     1.40579   122.82144    42.04210
   41    40 S   HA   _H21    40     1.08740   120.34096    -0.67348
   42    39 S   CMA  _C11    54     1.35992   127.12250   105.13420
   43    42 S   OM   _O14    55     1.26390   130.96173   178.07217
   44    39 S   CO4  _C12    60     1.50040   117.39735   -77.22729
   45    44 S   O    _O16    61     1.23004   120.69429   -84.58948
   46    40 S   CA   _C7_    41     1.39924   119.78013   179.04264
   47    42 S   CT   _C13    56     1.52182   118.72522    -2.57055
   48    47 S   HC   _H23    57     1.09675   110.34310    71.83988
   49    47 S   HC   _H24    58     1.09885   113.56802  -167.93736
   50    47 S   HC   _H25    59     1.09656   111.11141   -49.01792
   51    44 S   CT   _C14    62     1.50615   117.58451    93.45561
   52    51 S   HC   _H26    63     1.09345   109.06375   132.07335
   53    51 S   HC   _H27    64     1.09330   111.31009    12.96928
   54    51 S   HC   _H28    65     1.09289   109.29005  -107.65061
   55    46 S   CA   _C9_    42     1.39152   121.63799    -0.77076
   56    46 S   NO2  _N13    50     1.44638   118.05754   179.45249
   57    56 S   ON   _O15    51     1.23802   117.34069  -123.23116
   58    56 S   ON   _O17    52     1.23816   117.06390    55.78578
   59    55 S   CA   _C8_    43     1.39121   118.66095     0.08393
   60    55 S   OH   _O19    48     1.36544   121.09939  -178.76109
   61    60 S   HO   _H31    49     0.97435   107.41227   179.64282
   62    38 S   CA   _C5_    44     1.40880   118.66255  -140.09024
   63    62 S   HA   _H22    45     1.08797   119.62714     0.80064
   64    59 S   OH   _O18    46     1.36818   118.56917  -179.51061
   65    64 S   HO   _H30    47     0.97279   108.61387   178.96448
  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
  15   6   2   1   1  12  14  10   4   8   5   6   4   9   3   2
   1   1   3   2   1   1  10   4   1   1   6   3   1   3   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    62    39    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    59    62    63    39    42    43    47    44    45    51  
   38    40    62    39    42    44  
   36    37  
   37  
    0  
   40    41    46    55    59    62    63    64    56    39    42    44  
   42    43    47    48    49    50    44    45    51    52    53    54    40    62  
   41    46    55    59    62    63    60    56    57    58  
   46    55    62    56  
   43    47    48    49    50    44    45    51  
   47    48    49    50    44  
   45    51    52    53    54    47  
   51    52    53    54  
   55    59    62    64    60    61    56    57    58  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   59    62    63    64    65    60    61    56    57    58  
   57    58    59    60  
   58  
    0  
   62    63    64    65    60    61  
   61    62    64  
    0  
   63    64    65  
   64  
   65  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   58   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    62   469.000  1.400
   40    41   367.000  1.080
   40    46   469.000  1.400
   46    55   469.000  1.400
   46    56   400.000  1.460
   55    59   469.000  1.400
   55    60   450.000  1.364
   59    62   469.000  1.400
   59    64   450.000  1.364
   62    63   367.000  1.080
   64    65   553.000  0.945
   60    61   553.000  0.945
   56    57   550.000  1.225
   56    58   550.000  1.225
   39    42   465.000  1.376
   39    44   320.000  1.462
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    42    70.00000  124.00000
   33    39    44    65.00000  116.34900
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    63.00000  120.00000
   38    62    59    63.00000  120.00000
   38    62    63    35.00000  120.00000
   40    46    55    63.00000  120.00000
   40    46    56    85.00000  120.00000
   46    40    41    35.00000  120.00000
   46    55    59    63.00000  120.00000
   46    55    60    70.00000  120.00000
   46    56    57    80.00000  117.50000
   46    56    58    80.00000  117.50000
   55    59    62    63.00000  120.00000
   55    59    64    70.00000  120.00000
   55    60    61    35.00000  113.00000
   59    62    63    35.00000  120.00000
   59    64    65    35.00000  113.00000
   62    38    40    63.00000  120.00000
   64    59    62    70.00000  120.00000
   60    55    59    70.00000  120.00000
   56    46    55    85.00000  120.00000
   58    56    57    80.00000  125.30000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    47    65.00000  122.18000
   39    44    45    80.00000  123.72100
   39    44    51    65.00000  118.62400
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    50    45.00000  110.52000
   47    42    43    85.00000  112.85300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   44    39    42    60.00000  125.92000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   51    44    45    80.00000  120.40000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    46   3.62500 -1.0 2.0
   33    38    62    59   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   33    39    44    45  -0.64400  1.0 1.0
   33    39    44    45   0.26850 -1.0 2.0
   33    39    44    51   0.25700  1.0 1.0
   33    39    44    51   0.66200 -1.0 2.0
   33    39    44    51   0.04450  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    44   0.15000  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    44   0.09700  1.0 1.0
   38    33    39    44   0.15600 -1.0 2.0
   38    33    39    44  -0.50800  1.0 3.0
   38    40    46    55   3.62500 -1.0 2.0
   38    40    46    56   3.62500 -1.0 2.0
   40    38    62    59   3.62500 -1.0 2.0
   40    38    62    63   3.62500 -1.0 2.0
   40    46   -55    59   3.62500 -1.0 2.0
   40    46    55    60   3.62500 -1.0 2.0
   40    46    56    57   0.69950 -1.0 2.0
   40    46    56    58   0.69950 -1.0 2.0
   41    40    46    55   3.62500 -1.0 2.0
   41    40    46    56   3.62500 -1.0 2.0
   46    55    59    62   3.62500 -1.0 2.0
   46    55    59    64   3.62500 -1.0 2.0
   46    55    60    61   0.84100 -1.0 2.0
   55    46    56    57   0.69950 -1.0 2.0
   55    46    56    58   0.69950 -1.0 2.0
   55    59   -62    38   3.62500 -1.0 2.0
   55    59    62    63   3.62500 -1.0 2.0
   55    59    64    65   0.84100 -1.0 2.0
   59    55    60    61   0.84100 -1.0 2.0
   62    38    40    41   3.62500 -1.0 2.0
   62    38   -40    46   3.62500 -1.0 2.0
   62    59    64    65   0.84100 -1.0 2.0
   64    59    62    38   3.62500 -1.0 2.0
   64    59    62    63   3.62500 -1.0 2.0
   60    55    59    62   3.62500 -1.0 2.0
   60    55    59    64   3.62500 -1.0 2.0
   56    46    55    59   3.62500 -1.0 2.0
   56    46    55    60   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    42    47    48   0.00000  1.0 1.0
   39    42    47    49   0.00000  1.0 1.0
   39    42    47    50   0.00000  1.0 1.0
   39    44    51    52   0.00000  1.0 1.0
   39    44    51    53   0.00000  1.0 1.0
   39    44    51    54   0.00000  1.0 1.0
   42    39    44    45   1.00000 -1.0 2.0
   42    39    44    51  -0.33500  1.0 1.0
   42    39    44    51   1.06600 -1.0 2.0
   42    39    44    51  -0.14000  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    50   0.00000  1.0 1.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39    42    47   7.00000 -1.0 2.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   45    44    51    54   0.00000  1.0 1.0
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
   40    62    38    33   4.00000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   55    56    46    40   4.00000 -1.0 2.0
   59    60    55    46   4.00000 -1.0 2.0
   62    64    59    55   4.00000 -1.0 2.0
   59    63    62    38   1.10000 -1.0 2.0
   58    46    56    57  10.50000 -1.0 2.0
   33    44    39    42  15.00000 -1.0 2.0
   47    43    42    39  15.00000 -1.0 2.0
   39    51    44    45  10.50000 -1.0 2.0
END
