* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    141    217     415
    1     0 S   NP   _N1_     1    28.74311    97.56627   -21.45521
    2     1 S   H    _HN1     2     1.02779    89.77006   -81.86049
    3     1 S   H    _H1_     3     1.02959    68.47351    27.99221
    4     1 S   H    _H2_     4     1.02835    50.88994   164.60490
    5     1 S   CT   _CA1     5     1.50117   156.18193   119.93440
    6     5 S   HC   _HA1     6     1.09576   105.22812    94.82656
    7     5 S   CO3  _C1_     7     1.53779   112.40894   -25.38277
    8     7 S   O2Z  _O11     8     1.26358   115.00416   -43.62607
    9     7 S   O2Z  _O12     9     1.26241   114.91914   135.57053
   10     5 S   CT   _CB1    10     1.53096   107.43050  -147.26645
   11    10 S   HC   HB11    11     1.09826   109.31031   -50.87849
   12    10 S   HC   HB12    12     1.09818   110.42176    65.66386
   13    10 S   CT   _CG1    13     1.53015   112.68808  -171.98051
   14    13 S   HC   HG11    14     1.09595   110.46014   -64.28117
   15    13 S   HC   HG12    15     1.09656   109.95689    54.94013
   16    13 S   C    _CD1    16     1.51825   112.32979   175.28632
   17    16 S   O    _OE1    17     1.22723   123.24210    -1.04455
   18    16 S   N    _N2_    18     1.38622   111.62372   179.20969
   19    18 S   H    _HN2    19     1.01579   119.06516     1.23765
   20    18 S   CT1  _CA2    20     1.46175   123.44769   179.53312
   21    20 S   HC   _HA2    21     1.09739   109.35384    -3.32490
   22    20 S   C    _C2_    22     1.53584   108.89475  -118.87983
   23    22 S   O    _O2_    23     1.23061   122.19707  -148.35666
   24    20 S   CT   _CB2    32     1.53333   111.42983   118.61399
   25    24 S   HC   HB21    33     1.09569   110.01339    54.54561
   26    24 S   HC   HB22    34     1.09439   109.69497   173.67349
   27    22 S   N    _N3_    24     1.38496   113.61389    39.29377
   28    27 S   H    _HN3    25     1.01487   118.97439    -0.69436
   29    24 S   S    _SG2    35     1.82947   111.75676   -66.57523
   30    27 S   CT   _CA3    26     1.45431   123.35744   175.03134
   31    30 S   HC   HA31    27     1.09529   109.23884    25.87748
   32    30 S   HC   HA32    28     1.09500   107.16612   142.84702
   33    29 S   CT   _C5_    36     1.84033    99.84745   172.63382
   34    33 S   HC   _H3_    37     1.09518   105.49241   -60.59771
   35    30 S   CO3  _C3_    29     1.52895   112.92596   -97.58072
   36    35 S   O2Z  _O31    30     1.26420   115.27883   -49.15484
   37    35 S   O2Z  _O32    31     1.26345   115.07298   131.72795
   38    33 S   CM   _C6_    38     1.53454   111.67517    60.60172
   39    33 S   CT   _C4_    71     1.53011   108.89667  -174.24003
   40    39 S   HC   _H8_    72     1.09564   112.63747   -58.07637
   41    39 S   HC   _H9_    73     1.09601   110.56359  -178.67470
   42    39 S   HC   _H10    74     1.09633   110.88121    62.60501
   43    38 S   CMA  _C7_    39     1.36803   121.87125  -114.00241
   44    43 S   OM   _O33    40     1.26936   125.85297    -2.62249
   45    38 S   CT   _C16    67     1.51929   115.50471    66.09545
   46    45 S   HC   _H22    68     1.09388   111.06774   -56.28484
   47    45 S   HC   _H23    69     1.09348   113.87605  -176.18905
   48    45 S   HC   _H24    70     1.09442   110.29242    64.08527
   49    43 S   OS   _O34    41     1.41699   112.18475   178.53353
   50    49 S   CT   _C8_    42     1.43469   112.11290  -123.68458
   51    50 S   HC   _H11    43     1.09646   109.69485   -76.34072
   52    50 S   HC   _H12    44     1.09835   110.23610    43.43177
   53    50 S   CT   _C9_    45     1.52529   108.17774   162.30628
   54    53 S   HC   _H4_    46     1.09941   108.41966   -56.93869
   55    53 S   CT   _C10    47     1.52651   112.22664  -179.03937
   56    55 S   HC   _H5_    48     1.09658   113.24472   -39.74917
   57    53 S   CT   _C15    63     1.53041   115.14590    63.17785
   58    57 S   HC   _H7_    64     1.09438   112.39237   -73.44912
   59    55 S   CT   _C11    49     1.52346   115.78704    91.49596
   60    59 S   HC   _H13    50     1.09641   111.61496    20.87622
   61    59 S   HC   _H14    51     1.09426   111.84378   -99.65663
   62    57 S   OH   _O35    65     1.42300   111.16136    48.59379
   63    62 S   HO   _H21    66     0.97274   107.60674  -175.01029
   64    59 S   CT   _C12    52     1.51988   103.87175   139.19257
   65    64 S   HC   _H15    53     1.09657   110.34320    77.18470
   66    64 S   HC   _H16    54     1.09358   112.43160  -161.87557
   67    64 S   CT   _C13    55     1.51664   103.04564   -40.75809
   68    67 S   HC   _H17    56     1.09284   113.94596   157.47302
   69    67 S   HC   _H18    57     1.09470   111.41698   -76.17166
   70    55 S   NP   _N4_    58     1.53113   104.23709  -154.24455
   71    70 S   H    _H6_    59     1.02971   106.87892   121.33259
   72    70 S   CT   _C14    60     1.51345   108.13038     5.43718
   73    72 S   HC   _H19    61     1.09425   108.20828   -97.33843
   74    72 S   HC   _H20    62     1.09309   107.52532   142.24239
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   7  12   5   4  17   8  18   9  10   6  11   6   5   5   1   8
   5   4   7   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    53    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55    57  
   51    52    53    54    55    56    59    70    72    57    58    62  
   52    53    54    55    57  
   53    54    55    57  
   54    55    56    59    60    61    64    67    70    71    72    73    74    57    58    62    63  
   55    56    59    70    72    57    58    62  
   56    59    60    61    64    65    66    67    68    69    70    71    72    73    74    57    58    62  
   59    60    61    64    67    70    71    72    57  
   58    62    63    59    67    70    71    72    73    74  
   62    63    70    72    73    74  
   60    61    64    65    66    67    68    69    70    71    72  
   61    64    65    66    67    70  
   64    65    66    67    70  
   63    70    72    73    74  
   72  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   71   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    70   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   367.000  1.471
   70    71   434.000  1.010
   70    72   367.000  1.471
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    57   268.000  1.529
   57    58   340.000  1.090
   57    62   320.000  1.410
   62    63   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    53    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    59    58.35000  112.70000
   53    55    70    80.00000  111.20000
   53    57    72    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    62    50.00000  109.50000
   55    53    54    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    64    58.35000  112.70000
   55    70    67    75.00000  113.01200
   55    70    71    35.00000  109.50000
   55    70    72    75.00000  113.01200
   59    55    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    80.00000  111.20000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    35.00000  109.50000
   67    70    72    75.00000  113.01200
   69    67    68    33.00000  107.80000
   70    55    56    35.00000  109.50000
   70    55    59    80.00000  111.20000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    57    80.00000  111.20000
   72    70    71    35.00000  109.50000
   72    57    58    37.50000  110.70000
   72    57    62    50.00000  109.50000
   74    72    73    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    58.35000  112.70000
   57    72    73    37.50000  110.70000
   57    72    74    37.50000  110.70000
   57    62    63    55.00000  108.50000
   62    57    58    35.00000  109.50000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52   0.08050  1.0 3.0
   43    49    50    53  -0.46850  1.0 1.0
   43    49    50    53   0.09300 -1.0 2.0
   43    49    50    53  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.62750  1.0 1.0
   49    50    53    55  -0.30950 -1.0 2.0
   49    50    53    55   0.27300  1.0 3.0
   49    50    53    57   0.62750  1.0 1.0
   49    50    53    57  -0.30950 -1.0 2.0
   49    50    53    57   0.27300  1.0 3.0
   50    53    55    56   0.15000  1.0 3.0
   50    53    55    59   0.56750  1.0 1.0
   50    53    55    59  -0.07550 -1.0 2.0
   50    53    55    59   0.20000  1.0 3.0
   50    53    55    70   1.36600  1.0 1.0
   50    53    55    70  -0.11450 -1.0 2.0
   50    53    55    70   0.24250  1.0 3.0
   50    53    57    72   0.56750  1.0 1.0
   50    53    57    72  -0.07550 -1.0 2.0
   50    53    57    72   0.20000  1.0 3.0
   50    53    57    58   0.15000  1.0 3.0
   50    53    57    62   0.86500  1.0 1.0
   50    53    57    62  -0.17500 -1.0 2.0
   50    53    57    62   0.20800  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    57   0.15000  1.0 3.0
   53    55    59    60   0.15000  1.0 3.0
   53    55    59    61   0.15000  1.0 3.0
   53    55    59    64   0.56750  1.0 1.0
   53    55    59    64  -0.07550 -1.0 2.0
   53    55    59    64   0.20000  1.0 3.0
   53    55    70    67   0.47100  1.0 1.0
   53    55    70    71   0.17350  1.0 3.0
   53    55   -70    72   0.47100  1.0 1.0
   53    57    62    63  -0.11600  1.0 1.0
   53    57    62    63  -0.09450 -1.0 2.0
   53    57    62    63   0.21250  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    59   0.15000  1.0 3.0
   54    53    55    70   0.19200  1.0 3.0
   54    53    57    72   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    62   0.23400  1.0 3.0
   55    53   -57    72   0.56750  1.0 1.0
   55    53   -57    72  -0.07550 -1.0 2.0
   55    53   -57    72   0.20000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    62   0.86500  1.0 1.0
   55    53    57    62  -0.17500 -1.0 2.0
   55    53    57    62   0.20800  1.0 3.0
   55    59    64    65   0.15000  1.0 3.0
   55    59    64    66   0.15000  1.0 3.0
   55    59   -64    67   0.56750  1.0 1.0
   55    59   -64    67  -0.07550 -1.0 2.0
   55    59   -64    67   0.20000  1.0 3.0
   55    70    72    73   0.15000  1.0 3.0
   55    70    72    74   0.15000  1.0 3.0
   55    70   -72    57   0.47100  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   56    55    70    67   0.15000  1.0 3.0
   56    55    70    71   0.13050  1.0 3.0
   56    55    70    72   0.15000  1.0 3.0
   59    55   -70    67   0.47100  1.0 1.0
   59    55    70    71   0.17350  1.0 3.0
   59    55    70    72   0.47100  1.0 1.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64   -67    70   1.36600  1.0 1.0
   59    64   -67    70  -0.11450 -1.0 2.0
   59    64   -67    70   0.24250  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    67   0.15000  1.0 3.0
   64    67   -70    55   0.47100  1.0 1.0
   64    67    70    71   0.17350  1.0 3.0
   64    67    70    72   0.47100  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.19200  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.19200  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    57   0.47100  1.0 1.0
   68    67    70    55   0.15000  1.0 3.0
   68    67    70    71   0.13050  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   69    67    70    55   0.15000  1.0 3.0
   69    67    70    71   0.13050  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   70    55    59    60   0.19200  1.0 3.0
   70    55    59    61   0.19200  1.0 3.0
   70    55   -59    64   1.36600  1.0 1.0
   70    55   -59    64  -0.11450 -1.0 2.0
   70    55   -59    64   0.24250  1.0 3.0
   70    72   -57    53   1.36600  1.0 1.0
   70    72   -57    53  -0.11450 -1.0 2.0
   70    72   -57    53   0.24250  1.0 3.0
   70    72    57    58   0.19200  1.0 3.0
   70    72    57    62   1.69300  1.0 1.0
   70    72    57    62  -0.48450 -1.0 2.0
   71    70    72    73   0.13050  1.0 3.0
   71    70    72    74   0.13050  1.0 3.0
   71    70    72    57   0.17350  1.0 3.0
   72    57    62    63  -0.11600  1.0 1.0
   72    57    62    63  -0.09450 -1.0 2.0
   72    57    62    63   0.21250  1.0 3.0
   73    72    57    53   0.15000  1.0 3.0
   73    72    57    58   0.15000  1.0 3.0
   73    72    57    62   0.23400  1.0 3.0
   74    72    57    53   0.15000  1.0 3.0
   74    72    57    58   0.15000  1.0 3.0
   74    72    57    62   0.23400  1.0 3.0
   57    53    55    56   0.15000  1.0 3.0
   57    53    55    59   0.56750  1.0 1.0
   57    53    55    59  -0.07550 -1.0 2.0
   57    53    55    59   0.20000  1.0 3.0
   57    53   -55    70   1.36600  1.0 1.0
   57    53   -55    70  -0.11450 -1.0 2.0
   57    53   -55    70   0.24250  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
END
