* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    137    193     389
    1     0 S   NP   _N1_     1    28.76398    95.51221   -24.33736
    2     1 S   H    _HN1     2     1.02945    74.49839     7.31657
    3     1 S   H    _H1_     3     1.02826    33.02527   176.78143
    4     1 S   H    _H2_     4     1.02787   113.57800   -96.39170
    5     1 S   CT   _CA1     5     1.50159   129.06853   111.23707
    6     5 S   HC   _HA1     6     1.09564   105.12434    91.34427
    7     5 S   CO3  _C1_     7     1.53778   112.62399   -28.81651
    8     7 S   O2Z  _O11     8     1.26385   114.97257   -35.78944
    9     7 S   O2Z  _O12     9     1.26231   115.02944   143.34198
   10     5 S   CT   _CB1    10     1.53077   107.41260  -150.48802
   11    10 S   HC   HB11    11     1.09836   109.39885   -46.93888
   12    10 S   HC   HB12    12     1.09822   110.41592    69.71829
   13    10 S   CT   _CG1    13     1.53022   112.69444  -167.83198
   14    13 S   HC   HG11    14     1.09551   110.73109   -67.42552
   15    13 S   HC   HG12    15     1.09667   109.73390    51.84414
   16    13 S   C    _CD1    16     1.51820   112.02966   172.27224
   17    16 S   O    _OE1    17     1.22750   123.16345    11.33077
   18    16 S   N    _N2_    18     1.38654   111.81399  -168.91607
   19    18 S   H    _HN2    19     1.01573   119.00805     1.20723
   20    18 S   CT1  _CA2    20     1.46260   123.34936   176.98656
   21    20 S   HC   _HA2    21     1.09744   109.27537     3.82684
   22    20 S   C    _C2_    22     1.53578   108.72924  -111.58684
   23    22 S   O    _O2_    23     1.23061   122.26581  -148.99987
   24    20 S   CT   _CB2    32     1.53393   111.71103   125.78285
   25    24 S   HC   HB21    33     1.09468   109.87339    57.12831
   26    24 S   HC   HB22    34     1.09506   110.09002   176.27154
   27    22 S   N    _N3_    24     1.38322   113.73971    38.49161
   28    27 S   H    _HN3    25     1.01570   119.56510    -3.29663
   29    24 S   S    _SG2    35     1.82556   111.14852   -63.77998
   30    27 S   CT   _CA3    26     1.45280   123.28952   177.17811
   31    30 S   HC   HA31    27     1.09547   107.51911   -64.70595
   32    30 S   HC   HA32    28     1.09555   107.99123    51.75350
   33    29 S   CT   _C13    36     1.82928   100.22539  -171.17873
   34    33 S   HC   _H3_    37     1.09508   110.12990    43.68664
   35    30 S   CO3  _C3_    29     1.52974   114.02733   173.75590
   36    35 S   O2Z  _O31    30     1.26386   116.06426    -0.20558
   37    35 S   O2Z  _O32    31     1.26423   114.42347   179.84677
   38    33 S   CM   _C7_    38     1.50618   108.95795   163.55984
   39    38 S   CMA  _C6_    39     1.35699   124.81862   101.90249
   40    39 S   OM   _O18    40     1.26203   129.12616  -178.74633
   41    38 S   OS   _O20    73     1.39331   114.36296   -75.15830
   42    39 S   CM   _C5_    41     1.48725   118.14155     1.97714
   43    41 S   CT   _C17    74     1.42628   110.98565   -88.34064
   44    43 S   HC   _H35    75     1.09400   107.84215  -177.26262
   45    43 S   HC   _H36    76     1.09456   111.23010    64.50403
   46    43 S   HC   _H37    77     1.09517   111.41408   -58.84578
   47    42 S   CM   _C4_    42     1.34659   121.10756    10.91136
   48    47 S   HC   _H22    43     1.08450   122.40223   177.55808
   49    42 S   CT   _C18    46     1.53078   121.97422  -170.21857
   50    49 S   HC   _H38    47     1.09937   109.68965  -158.88074
   51    49 S   HC   _H39    48     1.09346   111.06831   -44.80272
   52    33 S   CO4  _C8_    44     1.51403   109.26926   -74.39031
   53    52 S   O    _O19    45     1.23101   122.27312    80.64762
   54    49 S   CM   _C9_    49     1.50714   111.72215    83.09459
   55    54 S   HC   _H23    50     1.09028   113.80422    60.26403
   56    54 S   CM   _C11    51     1.34772   128.64252  -119.13073
   57    56 S   CT   _C14    52     1.50346   125.03887    -1.34013
   58    57 S   HC   _H26    53     1.09438   110.41335   112.51285
   59    57 S   HC   _H27    54     1.09155   113.57051    -8.43464
   60    57 S   HC   _H28    55     1.09532   110.08301  -127.95303
   61    56 S   CT   _C20    56     1.51825   119.70781   179.29307
   62    61 S   HC   _H42    57     1.09829   110.51069    15.95370
   63    61 S   HC   _H43    58     1.09769   108.51961   130.92157
   64    61 S   CT   _C19    59     1.53414   114.22529  -107.39440
   65    64 S   HC   _H40    60     1.09581   109.02905  -173.31188
   66    64 S   HC   _H41    61     1.09697   110.36075   -58.45429
   67    64 S   CM   _C10    62     1.50462   113.19292    63.16330
   68    67 S   HC   _H24    63     1.08983   114.44127   -87.55972
   69    67 S   CM   _C12    64     1.34650   127.26518    92.92839
   70    69 S   CT   _C15    65     1.50450   120.62768   178.77811
   71    70 S   HC   _H29    66     1.09417   110.09094   117.52710
   72    70 S   HC   _H30    67     1.09487   112.36020    -2.71851
   73    70 S   HC   _H31    68     1.09494   110.31022  -122.74748
   74    69 S   CT   _C16    69     1.50223   124.88431    -2.26486
   75    74 S   HC   _H32    70     1.09473   110.11375   116.51656
   76    74 S   HC   _H33    71     1.09518   109.92095  -124.06123
   77    74 S   HC   _H34    72     1.09252   113.41939    -4.42248
  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
  11   6   2   1   1  12  11   4   6  10   3   2   1   1   7   3
   8   4   3   1   1  10   3  11   7   3   2   1   8   5   4   7
   4   3  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    52    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    48    52    53    41    43  
   38    39    47    52    53    41  
   36    37  
   37  
    0  
   39    40    42    47    52    53    49    41    43    44    45    46  
   40    42    47    48    52    49    50    51    54    41    43  
   42    47    49    41  
   43    44    45    46    42    52  
   47    48    52    53    49    50    51    54    55    56  
   44    45    46  
   45    46  
   46  
    0  
   48    52    53    49    50    51    54  
   52    53    49  
   50    51    54    55    56    57    61    52  
   51    54    55    56  
   54    55    56  
   53  
    0  
   55    56    57    58    59    60    61    62    63    64  
   56    57    61  
   57    58    59    60    61    62    63    64    65    66    67  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    74  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74    75    76    77  
   69    70    74  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   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    52   317.000  1.522
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   465.000  1.376
   42    47   549.000  1.340
   42    49   317.000  1.510
   47    48   340.000  1.080
   47    52   320.000  1.462
   52    53   570.000  1.229
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    55   340.000  1.080
   54    56   549.000  1.340
   56    57   317.000  1.510
   56    61   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   317.000  1.510
   69    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   41    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    52    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    52    47    65.00000  118.62400
   33    52    53    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    70.00000  123.01800
   38    41    43    90.00000  111.18400
   39    42    47    70.00000  117.34000
   39    42    49    70.00000  124.00000
   42    39    40    65.00000  137.10300
   42    47    48    35.00000  120.00000
   42    47    52    65.00000  118.96000
   42    49    50    35.00000  109.50000
   42    49    51    35.00000  109.50000
   42    49    54    70.00000  110.12100
   47    52    53    80.00000  123.72100
   52    33    34    35.00000  109.50000
   52    33    38    70.00000  109.06800
   52    47    48    40.00000  117.72500
   49    42    47    70.00000  124.00000
   49    54    55    35.00000  117.00000
   49    54    56    70.00000  124.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    56    57    70.00000  124.00000
   54    56    61    70.00000  124.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   56    57    60    35.00000  109.50000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    56    57    65.00000  117.92700
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    35.00000  117.00000
   64    67    69    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    69    70    70.00000  124.00000
   67    69    74    70.00000  124.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    73    35.00000  109.50000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    69    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    52    47   0.65300  1.0 1.0
   29    33    52    47  -0.03850 -1.0 2.0
   29    33    52    47   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    43   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    52    47   0.00000  1.0 1.0
   34    33    52    53   0.00000  1.0 1.0
   38    33    52    47   0.65300  1.0 1.0
   38    33    52    47  -0.03850 -1.0 2.0
   38    33    52    47   0.33900  1.0 3.0
   38    33    52    53   0.30150 -1.0 2.0
   38    39   -42    47   7.00000 -1.0 2.0
   38    39    42    49   7.00000 -1.0 2.0
   38    41    43    44   0.08050  1.0 3.0
   38    41    43    45   0.08050  1.0 3.0
   38    41    43    46   0.08050  1.0 3.0
   39    38    41    43  -2.26850  1.0 1.0
   39    38    41    43   3.39050 -1.0 2.0
   39    42    47    48   7.00000 -1.0 2.0
   39    42    47    52   7.00000 -1.0 2.0
   39    42    49    50   0.00000  1.0 1.0
   39    42    49    51   0.00000  1.0 1.0
   39    42    49    54  -0.28300  1.0 1.0
   39    42    49    54   0.26700 -1.0 2.0
   39    42    49    54  -0.63300  1.0 3.0
   40    39    42    47   7.00000 -1.0 2.0
   40    39    42    49   7.00000 -1.0 2.0
   42    47   -52    33  -0.33500  1.0 1.0
   42    47   -52    33   1.06600 -1.0 2.0
   42    47   -52    33  -0.14000  1.0 3.0
   42    47    52    53   1.00000 -1.0 2.0
   42    49    54    55   0.00000  1.0 1.0
   42    49    54    56  -0.28300  1.0 1.0
   42    49    54    56   0.26700 -1.0 2.0
   42    49    54    56  -0.63300  1.0 3.0
   47    42    49    50   0.00000  1.0 1.0
   47    42    49    51   0.00000  1.0 1.0
   47    42    49    54  -0.28300  1.0 1.0
   47    42    49    54   0.26700 -1.0 2.0
   47    42    49    54  -0.63300  1.0 3.0
   48    47    52    33   0.04550  1.0 1.0
   48    47    52    33   0.83000 -1.0 2.0
   48    47    52    33  -0.04000  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   52    33   -38    39  -0.51250  1.0 1.0
   52    33   -38    39  -0.88800 -1.0 2.0
   52    33   -38    39   0.08850  1.0 3.0
   52    33    38    41   0.09700  1.0 1.0
   52    33    38    41   0.15600 -1.0 2.0
   52    33    38    41  -0.50800  1.0 3.0
   49    42    47    48   7.00000 -1.0 2.0
   49    42    47    52   7.00000 -1.0 2.0
   49    54    56    57   7.00000 -1.0 2.0
   49    54    56    61   7.00000 -1.0 2.0
   50    49    54    55   0.33100  1.0 3.0
   50    49    54    56   0.00000  1.0 1.0
   51    49    54    55   0.33100  1.0 3.0
   51    49    54    56   0.00000  1.0 1.0
   54    56    57    58   0.00000  1.0 1.0
   54    56    57    59   0.00000  1.0 1.0
   54    56    57    60   0.00000  1.0 1.0
   54    56    61    62   0.00000  1.0 1.0
   54    56    61    63   0.00000  1.0 1.0
   54    56    61    64   0.09850  1.0 1.0
   54    56    61    64   0.15250 -1.0 2.0
   54    56    61    64  -0.50650  1.0 3.0
   55    54    56    57   7.00000 -1.0 2.0
   55    54    56    61   7.00000 -1.0 2.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61    64    67   0.31000  1.0 1.0
   56    61    64    67   0.14700 -1.0 2.0
   56    61    64    67   0.07550  1.0 3.0
   57    56    61    62   0.34800  1.0 3.0
   57    56    61    63   0.34800  1.0 3.0
   57    56    61    64   0.46850  1.0 1.0
   57    56    61    64   0.08550 -1.0 2.0
   57    56    61    64   0.09800  1.0 3.0
   61    56    57    58   0.34800  1.0 3.0
   61    56    57    59   0.34800  1.0 3.0
   61    56    57    60   0.34800  1.0 3.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    69   0.09850  1.0 1.0
   61    64    67    69   0.15250 -1.0 2.0
   61    64    67    69  -0.50650  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    69    70   7.00000 -1.0 2.0
   64    67    69    74   7.00000 -1.0 2.0
   65    64    67    68   0.33100  1.0 3.0
   65    64    67    69   0.00000  1.0 1.0
   66    64    67    68   0.33100  1.0 3.0
   66    64    67    69   0.00000  1.0 1.0
   67    69    70    71   0.00000  1.0 1.0
   67    69    70    72   0.00000  1.0 1.0
   67    69    70    73   0.00000  1.0 1.0
   67    69    74    75   0.00000  1.0 1.0
   67    69    74    76   0.00000  1.0 1.0
   67    69    74    77   0.00000  1.0 1.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    74   7.00000 -1.0 2.0
   70    69    74    75   0.34800  1.0 3.0
   70    69    74    76   0.34800  1.0 3.0
   70    69    74    77   0.34800  1.0 3.0
   74    69    70    71   0.34800  1.0 3.0
   74    69    70    72   0.34800  1.0 3.0
   74    69    70    73   0.34800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   39    49    42    47   1.10000 -1.0 2.0
   52    48    47    42   1.10000 -1.0 2.0
   33    47    52    53  10.50000 -1.0 2.0
   49    55    54    56  15.00000 -1.0 2.0
   57    61    56    54  15.00000 -1.0 2.0
   64    68    67    69  15.00000 -1.0 2.0
   70    74    69    67  15.00000 -1.0 2.0
END
