* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    137    196     392
    1     0 S   NP   _N1_     1    28.70471    96.32486   -23.41922
    2     1 S   H    _HN1     2     1.02949    71.93871    12.64982
    3     1 S   H    _H1_     3     1.02828    38.38420   168.10261
    4     1 S   H    _H2_     4     1.02788   105.17119   -92.10927
    5     1 S   CT   _CA1     5     1.50108   138.80274   113.28744
    6     5 S   HC   _HA1     6     1.09573   105.19851    92.14884
    7     5 S   CO3  _C1_     7     1.53782   112.42714   -28.09916
    8     7 S   O2Z  _O11     8     1.26371   115.01299   -43.69994
    9     7 S   O2Z  _O12     9     1.26236   114.94117   135.40702
   10     5 S   CT   _CB1    10     1.53074   107.41632  -149.88528
   11    10 S   HC   HB11    11     1.09835   109.37050   -49.77368
   12    10 S   HC   HB12    12     1.09812   110.45831    66.82804
   13    10 S   CT   _CG1    13     1.52998   112.60675  -170.73762
   14    13 S   HC   HG11    14     1.09580   110.65466   -65.66647
   15    13 S   HC   HG12    15     1.09670   109.77106    53.57063
   16    13 S   C    _CD1    16     1.51804   112.16248   174.03185
   17    16 S   O    _OE1    17     1.22740   123.25637     7.83777
   18    16 S   N    _N2_    18     1.38638   111.71002  -172.21316
   19    18 S   H    _HN2    19     1.01591   118.99731     1.59029
   20    18 S   CT1  _CA2    20     1.46211   123.41741   177.49540
   21    20 S   HC   _HA2    21     1.09736   109.32135     5.28142
   22    20 S   C    _C2_    22     1.53642   108.99923  -110.28900
   23    22 S   O    _O2_    23     1.23085   122.21694  -150.17850
   24    20 S   CT   _CB2    32     1.53383   111.45566   127.26762
   25    24 S   HC   HB21    33     1.09463   109.55233    56.18528
   26    24 S   HC   HB22    34     1.09419   109.76479   175.00951
   27    22 S   N    _N3_    24     1.38304   113.84949    37.37467
   28    27 S   H    _HN3    25     1.01560   119.58243    -3.49822
   29    24 S   S    _SG2    35     1.83232   111.24216   -65.24509
   30    27 S   CT   _CA3    26     1.45280   123.25328   177.11744
   31    30 S   HC   HA31    27     1.09548   107.52086   -64.47421
   32    30 S   HC   HA32    28     1.09556   107.98316    51.97583
   33    29 S   CT   _C13    36     1.86237   101.27378   174.58905
   34    30 S   CO3  _C3_    29     1.52968   114.05279   173.96197
   35    34 S   O2Z  _O31    30     1.26380   116.06382    -0.62307
   36    34 S   O2Z  _O32    31     1.26426   114.41501   179.44047
   37    33 S   CM   _C5_    37     1.50741   108.12384   -66.47006
   38    37 S   HC   _H23    38     1.09050   116.67631   -59.01668
   39    33 S   CT   _C18    51     1.55216   107.07404   174.06073
   40    39 S   HC   _H38    52     1.09975   109.99934    59.90430
   41    39 S   HC   _H39    53     1.09563   110.34227   -55.78516
   42    37 S   CMA  _C6_    39     1.34658   125.03416   122.18215
   43    42 S   OM   _O18    40     1.25898   130.52593   179.25875
   44    39 S   CM   _C9_    54     1.51123   113.84854   179.46295
   45    44 S   HC   _H24    55     1.09010   113.96401   -71.16170
   46    42 S   CM   _C4_    41     1.45766   118.13257    -1.03439
   47    46 S   HC   _H22    42     1.09073   118.14876   178.93302
   48    44 S   CM   _C11    56     1.34772   128.42100   110.26123
   49    46 S   CM   _C7_    43     1.34123   124.66833    -2.29089
   50    48 S   CT   _C14    57     1.50396   125.07802    -2.13790
   51    50 S   HC   _H26    58     1.09391   110.53420   117.02866
   52    50 S   HC   _H27    59     1.09527   110.00779  -123.43244
   53    50 S   HC   _H28    60     1.09133   113.67828    -3.67424
   54    48 S   CT   _C20    61     1.51877   119.79755   179.85873
   55    54 S   HC   _H42    62     1.09775   108.54112   132.15367
   56    54 S   HC   _H43    63     1.09845   110.54356    17.19566
   57    33 S   CO4  _C8_    44     1.53675   107.64762    56.76541
   58    57 S   O    _O19    45     1.23269   121.95922    59.29837
   59    49 S   OS   _O20    46     1.38219   121.23474   179.66370
   60    54 S   CT   _C19    64     1.53478   113.90841  -106.30598
   61    60 S   HC   _H40    65     1.09316   110.50196   -57.71130
   62    60 S   HC   _H41    66     1.09764   108.27647  -172.65492
   63    59 S   CT   _C17    47     1.42649   110.49038   102.42882
   64    63 S   HC   _H35    48     1.09397   107.89364  -177.08604
   65    63 S   HC   _H36    49     1.09471   111.45507    64.45493
   66    63 S   HC   _H37    50     1.09570   111.00724   -58.79377
   67    60 S   CM   _C10    67     1.50475   112.46788    68.97257
   68    67 S   HC   _H25    68     1.08980   113.85248    67.53609
   69    67 S   CM   _C12    69     1.34664   128.22958  -112.70215
   70    69 S   CT   _C15    70     1.50604   120.32963  -179.82529
   71    70 S   HC   _H29    71     1.09496   110.23460   120.55004
   72    70 S   HC   _H30    72     1.09511   112.44353     0.45327
   73    70 S   HC   _H31    73     1.09500   110.23968  -119.63484
   74    69 S   CT   _C16    74     1.50226   125.44270     0.83767
   75    74 S   HC   _H32    75     1.09528   110.00301   120.91283
   76    74 S   HC   _H33    76     1.09509   110.04529  -119.84106
   77    74 S   HC   _H34    77     1.09120   113.74094     0.70969
  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  11   5   4   3
  15   2   1   1  12   5  11   5   4   6   3  11   3   6   3  11
   7   7   3   2   1   8   5   4   3   1   4   7   4   3   3   2
   1   1  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    49    57    58    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    49    57    58    59    39    40    41    44    45    48  
   35    36  
   36  
    0  
   38    42    43    46    47    49    57    58    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    50    54    42    49    57    58  
   41    44    45    48    57  
   44    45    48    57  
   43    46    47    49    57    59  
   46    47    49  
   45    48    50    51    52    53    54    55    56    60    57  
   48    50    54  
   47    49    57    58    59    63  
   49    57    59  
   50    51    52    53    54    55    56    60    61    62    67  
   57    58    59    63    64    65    66  
   51    52    53    54    55    56    60  
   52    53    54  
   53    54  
   54  
   55    56    60    61    62    67    68    69  
   56    60    61    62    67  
   60    61    62    67  
   58    59    63  
   59  
   63    64    65    66  
   61    62    67    68    69    70    74  
   62    67    68    69  
   67    68    69  
   64    65    66  
   65    66  
   66  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    57   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    46   465.000  1.376
   46    47   340.000  1.080
   46    49   549.000  1.340
   49    57   320.000  1.462
   49    59   440.000  1.360
   57    58   570.000  1.229
   59    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    50   317.000  1.510
   48    54   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    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
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    57    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    49    65.00000  118.62400
   33    57    58    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  112.02700
   37    42    43    65.00000  137.10300
   37    42    46    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    46    47    40.00000  120.50800
   42    46    49    70.00000  117.34000
   46    42    43    65.00000  137.10300
   46    49    57    65.00000  118.96000
   46    49    59    80.00000  120.01400
   49    46    47    35.00000  120.00000
   49    57    58    80.00000  123.72100
   49    59    63    90.00000  111.18400
   57    33    37    70.00000  109.06800
   59    49    57    85.00000  116.28000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    57    63.00000  111.10000
   39    44    45    35.00000  117.00000
   39    44    48    70.00000  124.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    70.00000  124.00000
   44    48    54    70.00000  124.00000
   48    44    45    35.00000  120.00000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    53    35.00000  109.50000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    60    70.00000  112.02700
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    48    50    65.00000  117.92700
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    67    70.00000  112.02700
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    67    68    35.00000  117.00000
   60    67    69    70.00000  124.00000
   62    60    61    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    62    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
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    49   0.65300  1.0 1.0
   29    33    57    49  -0.03850 -1.0 2.0
   29    33    57    49   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.00000  1.0 1.0
   33    39    44    48   0.09850  1.0 1.0
   33    39    44    48   0.15250 -1.0 2.0
   33    39    44    48  -0.50650  1.0 3.0
   37    33    57    49   0.65300  1.0 1.0
   37    33    57    49  -0.03850 -1.0 2.0
   37    33    57    49   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.31000  1.0 1.0
   37    33    39    44   0.14700 -1.0 2.0
   37    33    39    44   0.07550  1.0 3.0
   37    42    46    47   7.00000 -1.0 2.0
   37    42   -46    49   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    49    57   7.00000 -1.0 2.0
   42    46    49    59   7.00000 -1.0 2.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    49   7.00000 -1.0 2.0
   46    49   -57    33  -0.33500  1.0 1.0
   46    49   -57    33   1.06600 -1.0 2.0
   46    49   -57    33  -0.14000  1.0 3.0
   46    49    57    58   1.00000 -1.0 2.0
   46    49    59    63  -2.26850  1.0 1.0
   46    49    59    63   3.39050 -1.0 2.0
   47    46    49    57   7.00000 -1.0 2.0
   47    46    49    59   7.00000 -1.0 2.0
   49    59    63    64   0.08050  1.0 3.0
   49    59    63    65   0.08050  1.0 3.0
   49    59    63    66   0.08050  1.0 3.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42  -0.51250  1.0 1.0
   57    33   -37    42  -0.88800 -1.0 2.0
   57    33   -37    42   0.08850  1.0 3.0
   57    33    39    40  -0.11250  1.0 3.0
   57    33    39    41  -0.11250  1.0 3.0
   57    33    39    44  -0.98800  1.0 1.0
   57    33    39    44   0.48800 -1.0 2.0
   57    33    39    44   0.76800  1.0 3.0
   57    49    59    63   0.15100 -1.0 2.0
   59    49    57    33   0.32450 -1.0 2.0
   59    49    57    33   0.17400  1.0 3.0
   59    49    57    58  -0.11900  1.0 1.0
   59    49    57    58   0.76850 -1.0 2.0
   59    49    57    58   0.14100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    49   0.65300  1.0 1.0
   39    33    57    49  -0.03850 -1.0 2.0
   39    33    57    49   0.33900  1.0 3.0
   39    33    57    58   0.30150 -1.0 2.0
   39    44    48    50   7.00000 -1.0 2.0
   39    44    48    54   7.00000 -1.0 2.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.33100  1.0 3.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.00000  1.0 1.0
   44    48    50    52   0.00000  1.0 1.0
   44    48    50    53   0.00000  1.0 1.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    56   0.00000  1.0 1.0
   44    48    54    60   0.09850  1.0 1.0
   44    48    54    60   0.15250 -1.0 2.0
   44    48    54    60  -0.50650  1.0 3.0
   45    44    48    50   7.00000 -1.0 2.0
   45    44    48    54   7.00000 -1.0 2.0
   48    54    60    61   0.15000  1.0 3.0
   48    54    60    62   0.15000  1.0 3.0
   48    54    60    67   0.31000  1.0 1.0
   48    54    60    67   0.14700 -1.0 2.0
   48    54    60    67   0.07550  1.0 3.0
   50    48    54    55   0.34800  1.0 3.0
   50    48    54    56   0.34800  1.0 3.0
   50    48    54    60   0.46850  1.0 1.0
   50    48    54    60   0.08550 -1.0 2.0
   50    48    54    60   0.09800  1.0 3.0
   54    48    50    51   0.34800  1.0 3.0
   54    48    50    52   0.34800  1.0 3.0
   54    48    50    53   0.34800  1.0 3.0
   54    60    67    68   0.00000  1.0 1.0
   54    60    67    69   0.09850  1.0 1.0
   54    60    67    69   0.15250 -1.0 2.0
   54    60    67    69  -0.50650  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    67   0.15000  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    67   0.15000  1.0 3.0
   60    67    69    70   7.00000 -1.0 2.0
   60    67    69    74   7.00000 -1.0 2.0
   61    60    67    68   0.33100  1.0 3.0
   61    60    67    69   0.00000  1.0 1.0
   62    60    67    68   0.33100  1.0 3.0
   62    60    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
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    47    46    49   1.10000 -1.0 2.0
   57    59    49    46   1.10000 -1.0 2.0
   33    49    57    58  10.50000 -1.0 2.0
   39    45    44    48  15.00000 -1.0 2.0
   50    54    48    44  15.00000 -1.0 2.0
   60    68    67    69  15.00000 -1.0 2.0
   70    74    69    67  15.00000 -1.0 2.0
END
