* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    227     413
    1     0 S   NP   _N1_     1    28.81256    92.82080   -22.47433
    2     1 S   H    _HN1     2     1.02792    97.30146   -98.46528
    3     1 S   H    _H1_     3     1.02942    97.10267    11.04118
    4     1 S   H    _H2_     4     1.02843    18.57750   135.63282
    5     1 S   CT   _CA1     5     1.50107   129.30361   135.05328
    6     5 S   HC   _HA1     6     1.09601   105.20892    59.99970
    7     5 S   CO3  _C1_     7     1.53834   111.82061   -59.78463
    8     7 S   O2Z  _O11     8     1.26314   115.16844   -60.06270
    9     7 S   O2Z  _O12     9     1.26214   114.76317   118.63319
   10     5 S   CT   _CB1    10     1.53075   107.33385   177.34812
   11    10 S   HC   HB11    11     1.09833   109.34655   -52.31111
   12    10 S   HC   HB12    12     1.09808   110.56924    64.21831
   13    10 S   CT   _CG1    13     1.52966   112.48669  -173.32127
   14    13 S   HC   HG11    14     1.09537   110.44829   -62.82963
   15    13 S   HC   HG12    15     1.09649   110.00748    56.41391
   16    13 S   C    _CD1    16     1.51758   112.17763   176.85197
   17    16 S   O    _OE1    17     1.22738   123.27581    -0.54715
   18    16 S   N    _N2_    18     1.38651   111.74012   179.46222
   19    18 S   H    _HN2    19     1.01620   119.00963     1.70330
   20    18 S   CT1  _CA2    20     1.46200   123.15614   179.14362
   21    20 S   HC   _HA2    21     1.09735   109.40274    -5.21072
   22    20 S   C    _C2_    22     1.53393   108.49480  -120.80489
   23    22 S   O    _O2_    23     1.23040   122.27965  -147.26928
   24    20 S   CT   _CB2    32     1.53459   111.64112   116.79417
   25    24 S   HC   HB21    33     1.09415   109.32686    58.19016
   26    24 S   HC   HB22    34     1.09395   109.68379   176.99952
   27    22 S   N    _N3_    24     1.38320   113.54788    40.13664
   28    27 S   H    _HN3    25     1.01634   119.57122    -3.55237
   29    24 S   S    _SG2    35     1.82824   111.26949   -63.58367
   30    27 S   CT   _CA3    26     1.45300   123.12990   176.98572
   31    30 S   HC   HA31    27     1.09552   107.53531   -63.66165
   32    30 S   HC   HA32    28     1.09559   107.93717    52.74926
   33    29 S   CT   _C21    36     1.86167   102.18986   167.82592
   34    30 S   CO3  _C3_    29     1.52943   114.12481   174.72742
   35    34 S   O2Z  _O31    30     1.26366   116.04625    -0.63581
   36    34 S   O2Z  _O32    31     1.26428   114.41762   179.42359
   37    33 S   CM   _C8_    37     1.51670   108.70166    70.27789
   38    37 S   CM   _C7_    38     1.33923   125.30213    84.09322
   39    38 S   HC   _H5_    39     1.08314   122.89103   176.90320
   40    37 S   CT   _C16    47     1.50012   109.82942  -106.99693
   41    40 S   HC   _H8_    48     1.09514   109.92955    86.89399
   42    40 S   HC   _H9_    49     1.09509   113.00101  -152.68456
   43    38 S   CO4  _C9_    40     1.47532   118.89016     0.21029
   44    43 S   O    _O5_    41     1.22063   122.61069  -166.82874
   45    40 S   CT1  _C20    50     1.52756   103.49528   -31.08088
   46    45 S   HC   _H15    51     1.09705   110.10785   145.50783
   47    43 S   CO4  _C11    42     1.51390   117.68694    15.13737
   48    47 S   O    _O6_    43     1.22255   118.87002  -176.99163
   49    33 S   NIP  _N5_    52     1.51922   118.24755   -45.71187
   50    45 S   CO3  _C15    74     1.53852   116.19038   -88.28469
   51    50 S   O2Z  _O4_    75     1.26420   114.41276  -154.44077
   52    50 S   O2Z  _O8_    76     1.26211   116.25678    25.71301
   53    33 S   CT   _C18    44     1.53916   109.16669  -171.99050
   54    53 S   HC   _H12    45     1.09832   111.72429   174.28132
   55    53 S   HC   _H13    46     1.09537   112.01218    54.73130
   56    49 S   CG   _C13    53     1.29429   129.03824   -55.14606
   57    56 S   HC   _H7_    54     1.10047   115.97576   178.06791
   58    56 S   CM   _C12    55     1.47807   126.98183    -1.43477
   59    58 S   HC   _H6_    56     1.08319   117.78067    -7.74826
   60    58 S   CM   _C10    57     1.34581   124.11570   173.47845
   61    60 S   CM   _C6_    58     1.46034   125.89920    -2.52034
   62    61 S   HC   _H4_    59     1.08359   118.60670   -16.12141
   63    61 S   CM   _C4_    60     1.34644   121.10286   163.69756
   64    63 S   NE   _N4_    61     1.38399   121.72805    -2.19580
   65    64 S   H    _H3_    62     1.01655   116.34977  -172.54749
   66    63 S   CO3  _C5_    71     1.55879   119.50494   179.16023
   67    66 S   O2Z  _O1_    72     1.26745   114.76299   172.62986
   68    66 S   O2Z  _O33    73     1.26495   116.53241    -7.82792
   69    64 S   CT1  _C19    63     1.45506   123.56692    -4.80705
   70    69 S   HC   _H14    64     1.09747   108.61698   146.71335
   71    60 S   CT   _C17    65     1.52520   119.85665   178.39270
   72    71 S   HC   _H10    66     1.09709   111.41271   -14.56663
   73    71 S   HC   _H11    67     1.09877   107.17311   101.41675
   74    69 S   CO3  _C14    68     1.54081   107.89210   -98.25783
   75    74 S   O2Z  _O3_    69     1.26697   114.81318   -61.86037
   76    74 S   O2Z  _O7_    70     1.26389   116.45019   119.53885
  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
  19   2   1   1  16  11   4  11   5   4   6   3   9   5   5   3
  11   3   1   1   3   1   1   6   3   9   3  11  11   4   9  12
   5   3   1   1   7   6   5   2   1   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    53    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    53    54    55    40    45    49    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    47    48    53    54    55    40    41    42    45    46    49    56    57    58    50  
   35    36  
   36  
    0  
   38    39    43    44    47    53    54    55    40    41    42    45    46    49    56    50  
   39    43    44    47    48    53    40    41    42    45    49  
   43    44    47    40  
   41    42    45    46    49    56    50    51    52    43    53  
   42    45    46    49    50  
   45    46    49    50  
   44    47    48    53    54    55  
   47    48    53  
   46    49    56    57    58    50    51    52    53  
   49    56    50    51    52  
   48    53    54    55    49  
   53    54    55  
   56    57    58    59    60    50    51    52    53    54    55  
   51    52    56  
   52  
    0  
   54    55    56  
   55  
    0  
   57    58    59    60    61    71  
   58    59    60  
   59    60    61    62    63    69    71    72    73  
   60    61    71  
   61    62    63    64    69    70    71    72    73    74    66  
   62    63    64    65    69    71    72    73    66    67    68  
   63    64    71    66  
   64    65    69    70    71    74    66    67    68  
   65    69    70    71    72    73    74    75    76    66    67    68  
   69    70    71    74    66  
   67    68    69  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74  
   74  
   75    76  
   76  
    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   0.574200   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.2500   0.1700  -0.065700   1.9050   1.6860   0.051222218  -2.220205820
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   64   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    53   268.000  1.529
   33    49   280.000  1.462
   37    38   549.000  1.340
   37    40   317.000  1.510
   38    39   340.000  1.080
   38    43   320.000  1.462
   43    44   570.000  1.229
   43    47   250.000  1.523
   47    48   570.000  1.229
   47    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    49   280.000  1.462
   45    50   317.000  1.522
   49    56   635.000  1.286
   56    57   385.000  1.083
   56    58   400.000  1.403
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   380.000  1.444
   60    71   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   425.000  1.378
   63    66   230.000  1.545
   64    65   434.000  1.010
   64    69   382.000  1.448
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   74    75   656.000  1.250
   74    76   656.000  1.250
   66    67   656.000  1.250
   66    68   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
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    53    75.00000  111.63000
   29    33    49    85.00000  109.00000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    53    47    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    49    45    75.00000  117.54700
   33    49    56    70.00000  122.59000
   37    38    39    35.00000  120.00000
   37    38    43    65.00000  118.96000
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    45    70.00000  112.02700
   38    43    44    80.00000  123.72100
   38    43    47    65.00000  116.00000
   43    38    39    40.00000  117.72500
   43    47    48    80.00000  119.30300
   43    47    53    65.00000  115.45000
   47    43    44    80.00000  119.30300
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   53    33    37    70.00000  112.02700
   53    47    48    80.00000  120.40000
   55    53    54    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    45    46    37.50000  110.70000
   40    45    49    75.00000  111.57000
   40    45    50    63.00000  111.10000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    49    56    70.00000  122.59000
   45    50    51    70.00000  117.00000
   45    50    52    70.00000  117.00000
   49    33    37    75.00000  110.00000
   49    33    53    75.00000  111.57000
   49    45    46    50.00000  106.46400
   49    56    57    45.00000  118.03900
   49    56    58    65.00000  126.03000
   56    58    59    40.00000  116.17200
   56    58    60    65.00000  121.68800
   58    56    57    40.00000  123.36000
   58    60    61    70.00000  123.01800
   58    60    71    70.00000  124.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    63    70.00000  123.01800
   60    71    69    70.00000  112.02700
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   61    63    64    70.00000  124.03900
   61    63    66    55.00000  124.75400
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  114.50000
   63    64    69    50.00000  121.00000
   63    66    67    85.00000  113.83300
   63    66    68    85.00000  113.83300
   64    69    70    35.00000  109.50000
   64    69    71    80.00000  111.61500
   64    69    74    63.00000  110.10000
   69    64    65    35.00000  112.50000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    74    75    70.00000  117.00000
   69    74    76    70.00000  117.00000
   71    60    61    70.00000  124.00000
   71    69    70    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    63.00000  111.10000
   76    74    75    80.00000  126.00000
   66    63    64    80.00000  114.48000
   68    66    67    80.00000  126.00000
   50    45    46    35.00000  109.50000
   50    45    49    75.00000  110.00000
   52    50    51    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    53    47   0.56750  1.0 1.0
   29    33    53    47  -0.07550 -1.0 2.0
   29    33    53    47   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    49    45   0.00000  1.0 1.0
   29    33    49    56   0.00000  1.0 1.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    43   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    42   0.34800  1.0 3.0
   33    37   -40    45   0.46850  1.0 1.0
   33    37   -40    45   0.08550 -1.0 2.0
   33    37   -40    45   0.09800  1.0 3.0
   33    49    56    57   2.00000 -1.0 2.0
   33    49    56    58   2.00000 -1.0 2.0
   37    33    53    47  -0.98800  1.0 1.0
   37    33    53    47   0.48800 -1.0 2.0
   37    33    53    47   0.76800  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33   -49    45   0.00000  1.0 1.0
   37    33    49    56   0.00000  1.0 1.0
   37    38    43    44   1.00000 -1.0 2.0
   37    38   -43    47   0.50400  1.0 1.0
   37    38   -43    47   1.60000 -1.0 2.0
   37    38   -43    47  -0.01800  1.0 3.0
   37    40    45    46   0.15000  1.0 3.0
   37    40   -45    49   0.56750  1.0 1.0
   37    40   -45    49  -0.07550 -1.0 2.0
   37    40   -45    49   0.20000  1.0 3.0
   37    40    45    50  -0.98800  1.0 1.0
   37    40    45    50   0.48800 -1.0 2.0
   37    40    45    50   0.76800  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    45   0.09850  1.0 1.0
   38    37    40    45   0.15250 -1.0 2.0
   38    37    40    45  -0.50650  1.0 3.0
   38    43    47    48   0.03000  1.0 1.0
   38    43    47    48   0.58800 -1.0 2.0
   38    43    47    48   0.15550  1.0 3.0
   38    43    47    53   0.43900  1.0 1.0
   38    43    47    53  -0.18150 -1.0 2.0
   38    43    47    53  -0.03650  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.92800 -1.0 2.0
   43    47   -53    33   0.65300  1.0 1.0
   43    47   -53    33  -0.03850 -1.0 2.0
   43    47   -53    33   0.33900  1.0 3.0
   43    47    53    54   0.00000  1.0 1.0
   43    47    53    55   0.00000  1.0 1.0
   44    43    47    48   0.06100 -1.0 2.0
   44    43    47    53   0.49600 -1.0 2.0
   48    47    53    33   0.30150 -1.0 2.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   53    33   -37    38   0.09850  1.0 1.0
   53    33   -37    38   0.15250 -1.0 2.0
   53    33   -37    38  -0.50650  1.0 3.0
   53    33    37    40   0.46850  1.0 1.0
   53    33    37    40   0.08550 -1.0 2.0
   53    33    37    40   0.09800  1.0 3.0
   53    33    49    45   0.00000  1.0 1.0
   53    33    49    56   0.00000  1.0 1.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    43   7.00000 -1.0 2.0
   40    45   -49    33   0.00000  1.0 1.0
   40    45    49    56   0.00000  1.0 1.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    52   0.00000  1.0 1.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    49   0.15000  1.0 3.0
   41    40    45    50  -0.03800  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    49   0.15000  1.0 3.0
   42    40    45    50  -0.03800  1.0 3.0
   45    49    56    57   2.00000 -1.0 2.0
   45    49    56    58   2.00000 -1.0 2.0
   46    45    49    33   0.00000  1.0 1.0
   46    45    49    56  -0.22200  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   49    33    37    38   0.09700  1.0 1.0
   49    33    37    38   0.15600 -1.0 2.0
   49    33    37    38  -0.50800  1.0 3.0
   49    33   -37    40   0.09700  1.0 1.0
   49    33   -37    40   0.15600 -1.0 2.0
   49    33   -37    40  -0.50800  1.0 3.0
   49    33    53    47   0.56750  1.0 1.0
   49    33    53    47  -0.07550 -1.0 2.0
   49    33    53    47   0.20000  1.0 3.0
   49    33    53    54   0.15000  1.0 3.0
   49    33    53    55   0.15000  1.0 3.0
   49    45    50    51   0.30150 -1.0 2.0
   49    45    50    52   0.30150 -1.0 2.0
   49    56    58    59   0.97550 -1.0 2.0
   49    56    58    60   1.09700  1.0 1.0
   49    56    58    60   0.56350 -1.0 2.0
   49    56    58    60   0.49350  1.0 3.0
   56    58    60    61   7.00000 -1.0 2.0
   56    58    60    71   7.00000 -1.0 2.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   1.36050 -1.0 2.0
   58    60    61    62  -0.18600  1.0 3.0
   58    60    61    63   0.28850  1.0 1.0
   58    60    61    63   2.61350 -1.0 2.0
   58    60    61    63   0.78400  1.0 3.0
   58    60    71    69   0.09850  1.0 1.0
   58    60    71    69   0.15250 -1.0 2.0
   58    60    71    69  -0.50650  1.0 3.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    71   7.00000 -1.0 2.0
   60    61    63    64   7.00000 -1.0 2.0
   60    61    63    66   7.00000 -1.0 2.0
   61    60    71    69   0.98200  1.0 1.0
   61    60    71    69  -0.11900 -1.0 2.0
   61    60    71    69   0.24250  1.0 3.0
   61    60    71    72   0.00000  1.0 1.0
   61    60    71    73   0.00000  1.0 1.0
   61    63    64    65   1.00000 -1.0 2.0
   61    63   -64    69  -0.54700  1.0 1.0
   61    63   -64    69   1.23000 -1.0 2.0
   61    63    66    67  -0.04000 -1.0 2.0
   61    63    66    67  -0.29050  1.0 3.0
   61    63    66    68  -0.04000 -1.0 2.0
   61    63    66    68  -0.29050  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    66   7.00000 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.25450  1.0 1.0
   63    64    69    71  -0.61700 -1.0 2.0
   63    64    69    71  -0.23550  1.0 3.0
   63    64    69    74  -0.12500  1.0 1.0
   63    64    69    74  -0.12500 -1.0 2.0
   63    64    69    74   0.25000  1.0 3.0
   64    63    66    67   1.91650 -1.0 2.0
   64    63    66    68   1.91650 -1.0 2.0
   64    69   -71    60   0.21700  1.0 1.0
   64    69   -71    60   0.68550 -1.0 2.0
   64    69   -71    60  -0.27950  1.0 3.0
   64    69    71    72   0.22950  1.0 3.0
   64    69    71    73   0.22950  1.0 3.0
   64    69    74    75   0.00000  1.0 1.0
   64    69    74    76   0.00000  1.0 1.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   65    64    69    74   0.00000  1.0 1.0
   70    69    71    60   0.15000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    74    75   0.00000  1.0 1.0
   70    69    74    76   0.00000  1.0 1.0
   71    60    61    62   0.00000  1.0 1.0
   71    60   -61    63  -0.18600  1.0 3.0
   71    69    74    75   0.00000  1.0 1.0
   71    69    74    76   0.00000  1.0 1.0
   74    69    71    60  -0.98800  1.0 1.0
   74    69    71    60   0.48800 -1.0 2.0
   74    69    71    60   0.76800  1.0 3.0
   74    69    71    72  -0.03800  1.0 3.0
   74    69    71    73  -0.03800  1.0 3.0
   66    63    64    65   1.82350 -1.0 2.0
   66    63    64    69   1.00000 -1.0 2.0
   50    45    49    33   0.00000  1.0 1.0
   50    45    49    56   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
   43    53    47    48  10.50000 -1.0 2.0
   33    45    49    56   1.00000 -1.0 2.0
   58    57    56    49  10.50000 -1.0 2.0
   56    59    58    60   1.10000 -1.0 2.0
   61    71    60    58   1.10000 -1.0 2.0
   60    62    61    63   1.10000 -1.0 2.0
   64    66    63    61   1.10000 -1.0 2.0
   69    63    64    65   1.00000 -1.0 2.0
   75    69    74    76  10.50000 -1.0 2.0
   67    63    66    68  10.50000 -1.0 2.0
   51    45    50    52  10.50000 -1.0 2.0
END
