* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    220     407
    1     0 S   NP   _N1_     1    28.81806    96.00935   -23.93701
    2     1 S   H    _HN1     2     1.02828    37.06028   173.23575
    3     1 S   H    _H1_     3     1.02786   105.13800   -87.00727
    4     1 S   H    _H2_     4     1.02948    73.25362    18.01495
    5     1 S   CT   _CA1     5     1.50108   138.23545   120.14267
    6     5 S   HC   _HA1     6     1.09574   105.19945    90.29933
    7     5 S   CO3  _C1_     7     1.53784   112.40488   -29.94131
    8     7 S   O2Z  _O11     8     1.26371   115.01521   -44.13587
    9     7 S   O2Z  _O12     9     1.26235   114.93742   134.95149
   10     5 S   CT   _CB1    10     1.53075   107.41690  -151.74831
   11    10 S   HC   HB11    11     1.09835   109.37314   -49.85790
   12    10 S   HC   HB12    12     1.09812   110.46025    66.74514
   13    10 S   CT   _CG1    13     1.52996   112.59974  -170.82660
   14    13 S   HC   HG11    14     1.09582   110.63850   -65.45783
   15    13 S   HC   HG12    15     1.09669   109.78645    53.77471
   16    13 S   C    _CD1    16     1.51806   112.18198   174.22474
   17    16 S   O    _OE1    17     1.22738   123.26616     7.11538
   18    16 S   N    _N2_    18     1.38638   111.69982  -172.96441
   19    18 S   H    _HN2    19     1.01593   119.00774     1.57719
   20    18 S   CT1  _CA2    20     1.46233   123.41194   177.52931
   21    20 S   HC   _HA2    21     1.09740   109.31337     3.89013
   22    20 S   C    _C2_    22     1.53617   108.91755  -111.57887
   23    22 S   O    _O2_    23     1.23071   122.23611  -150.45972
   24    20 S   CT   _CB2    32     1.53439   111.45804   125.84033
   25    24 S   HC   HB21    33     1.09455   109.48985    56.08213
   26    24 S   HC   HB22    34     1.09432   109.83945   174.97629
   27    22 S   N    _N3_    24     1.38320   113.82317    37.14752
   28    27 S   H    _HN3    25     1.01569   119.56939    -3.59085
   29    24 S   S    _SG2    35     1.83371   111.00852   -65.28494
   30    27 S   CT   _CA3    26     1.45278   123.23560   177.08765
   31    30 S   HC   HA31    27     1.09549   107.53289   -64.17447
   32    30 S   HC   HA32    28     1.09557   107.96577    52.26659
   33    29 S   CT   _C21    36     1.86657   101.75027   174.38647
   34    30 S   CO3  _C3_    29     1.52962   114.06727   174.25110
   35    34 S   O2Z  _O31    30     1.26378   116.07127    -0.43069
   36    34 S   O2Z  _O32    31     1.26427   114.41304   179.62570
   37    33 S   CM   _C17    37     1.49897   108.31608    59.44199
   38    37 S   HC   _H15    38     1.08802   118.36648    59.61279
   39    33 S   CT   _C15    47     1.55787   106.08658   179.01523
   40    39 S   HC   _H12    48     1.10038   109.54718   -56.36529
   41    39 S   HC   _H13    49     1.10169   108.48714    58.22385
   42    37 S   CM   _C16    39     1.33520   123.24340  -121.35332
   43    42 S   HC   _H14    40     1.08400   121.18485  -179.25717
   44    39 S   CT1  _C13    50     1.54165   115.18772   180.00000
   45    44 S   HC   _H11    51     1.09546   111.16528   -48.62979
   46    42 S   CO4  _C20    41     1.48284   121.47078     0.64163
   47    46 S   O    _O8_    42     1.23127   118.04470  -179.65965
   48    44 S   NIP  _N5_    52     1.49620   107.16039  -165.23132
   49    48 S   H    _H10    53     1.02579   115.52753   -72.58337
   50    44 S   CO3  _C14    75     1.53826   115.68033    78.32683
   51    50 S   O2Z  _O5_    76     1.26341   114.74178  -138.46020
   52    50 S   O2Z  _O6_    77     1.26370   115.74460    42.77073
   53    46 S   CMA  _C19    43     1.51987   119.25513     0.64891
   54    53 S   OM   _O7_    44     1.26221   115.46709   179.17718
   55    48 S   CG   _C9_    54     1.28477   125.95892   107.51507
   56    55 S   HC   _H6_    55     1.09838   118.21435     0.10279
   57    33 S   CM   _C18    45     1.50916   108.09009   -63.15347
   58    57 S   HC   _H16    46     1.09200   115.38417   -59.22739
   59    55 S   CM   _C8_    56     1.47487   122.10215   179.96574
   60    59 S   HC   _H5_    57     1.08764   116.18998    -3.42914
   61    59 S   CM   _C7_    58     1.34505   124.63895   177.76963
   62    61 S   CM   _C6_    59     1.46004   125.65942    -2.13176
   63    62 S   HC   _H4_    60     1.08376   118.51382   -15.17002
   64    62 S   CM   _C4_    61     1.34640   121.13225   164.61340
   65    64 S   NE   _N4_    62     1.38413   121.73604    -2.24437
   66    65 S   H    _H3_    63     1.01681   116.20585  -172.42635
   67    64 S   CO3  _C5_    72     1.55916   119.58205   179.14705
   68    67 S   O2Z  _O1_    73     1.26749   114.70753   175.39827
   69    67 S   O2Z  _O33    74     1.26464   116.56724    -4.97264
   70    65 S   CT1  _C12    64     1.45429   123.52735    -5.67927
   71    70 S   HC   _H9_    65     1.09753   108.56846   147.26731
   72    61 S   CT   _C11    66     1.52475   119.81825   178.64911
   73    72 S   HC   _H7_    67     1.09718   111.27550   -15.76628
   74    72 S   HC   _H8_    68     1.09947   107.27770   100.10643
   75    70 S   CO3  _C10    69     1.54054   107.96896   -97.83054
   76    75 S   O2Z  _O3_    70     1.26675   114.78101   -61.64450
   77    75 S   O2Z  _O4_    71     1.26360   116.41338   119.95912
  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
  16   2   1   1  12   5  14   6   5   6   3  10   6   5   3   9
   4   3   1   1   3   2   6   3   1   1   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    57    58    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    53    54    57    58    39    40    41    44    45    48    50  
   35    36  
   36  
    0  
   38    42    43    46    47    53    57    58    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    49    55    50    51    52    42    53    57    58  
   41    44    45    48    50    57  
   44    45    48    50    57  
   43    46    47    53    54    57  
   46    47    53  
   45    48    49    55    56    59    50    51    52    57  
   48    49    55    50    51    52  
   47    53    54    57    58  
   53    54    57  
   49    55    56    59    60    61    50    51    52  
   55    56    59    50  
   51    52    55  
   52  
    0  
   54    57    58  
   57    58  
   56    59    60    61    62    72  
   59    60    61  
   58  
    0  
   60    61    62    63    64    70    72    73    74  
   61    62    72  
   62    63    64    65    70    71    72    73    74    75    67  
   63    64    65    66    70    72    73    74    67    68    69  
   64    65    72    67  
   65    66    70    71    72    75    67    68    69  
   66    70    71    72    73    74    75    76    77    67    68    69  
   70    71    72    75    67  
   68    69    70  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75  
   75  
   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  -0.115000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   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    57   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    53   270.000  1.476
   53    54   745.000  1.250
   53    57   465.000  1.376
   57    58   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   280.000  1.462
   44    50   317.000  1.522
   48    49   490.000  1.015
   48    55   635.000  1.286
   55    56   385.000  1.083
   55    59   400.000  1.403
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   380.000  1.444
   61    72   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   425.000  1.378
   64    67   230.000  1.545
   65    66   434.000  1.010
   65    70   382.000  1.448
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   75    76   656.000  1.250
   75    77   656.000  1.250
   67    68   656.000  1.250
   67    69   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    57    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    53    70.00000  124.00000
   33    57    58    35.00000  117.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    53    65.00000  118.65900
   46    42    43    40.00000  117.72500
   46    53    54    85.00000  116.28000
   46    53    57    65.00000  114.61000
   53    46    47    80.00000  120.81000
   53    57    58    40.00000  120.50800
   57    33    37    70.00000  110.12100
   57    53    54    65.00000  137.10300
   39    33    37    70.00000  112.02700
   39    33    57    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    48    75.00000  111.57000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    45.00000  117.21000
   44    48    55    70.00000  122.59000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  106.46400
   48    55    56    45.00000  118.03900
   48    55    59    65.00000  126.03000
   55    48    49    45.00000  118.89500
   55    59    60    40.00000  116.17200
   55    59    61    65.00000  121.68800
   59    55    56    40.00000  123.36000
   59    61    62    70.00000  123.01800
   59    61    72    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    70.00000  123.01800
   61    72    70    70.00000  112.02700
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   62    64    65    70.00000  124.03900
   62    64    67    55.00000  124.75400
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  114.50000
   64    65    70    50.00000  121.00000
   64    67    68    85.00000  113.83300
   64    67    69    85.00000  113.83300
   65    70    71    35.00000  109.50000
   65    70    72    80.00000  111.61500
   65    70    75    63.00000  110.10000
   70    65    66    35.00000  112.50000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    75    76    70.00000  117.00000
   70    75    77    70.00000  117.00000
   72    61    62    70.00000  124.00000
   72    70    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    63.00000  111.10000
   77    75    76    80.00000  126.00000
   67    64    65    80.00000  114.48000
   69    67    68    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    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    57  -0.62250  1.0 1.0
   24    29    33    57  -0.38450 -1.0 2.0
   24    29    33    57   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    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    53   0.42700  1.0 1.0
   29    33    57    53  -0.70350 -1.0 2.0
   29    33    57    53  -0.43150  1.0 3.0
   29    33    57    58   0.00000  1.0 1.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  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   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    50  -0.84850  1.0 1.0
   33    39    44    50  -0.22800 -1.0 2.0
   33    39    44    50   0.29250  1.0 3.0
   37    33    57    53  -0.28300  1.0 1.0
   37    33    57    53   0.26700 -1.0 2.0
   37    33    57    53  -0.63300  1.0 3.0
   37    33    57    58   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    53  -1.18350  1.0 1.0
   37    42   -46    53   1.45950 -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    53    54   1.50000 -1.0 2.0
   42    46    53    57  -1.18350  1.0 1.0
   42    46    53    57   1.45950 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.93700 -1.0 2.0
   46    53   -57    33   7.00000 -1.0 2.0
   46    53    57    58   7.00000 -1.0 2.0
   47    46    53    54  -0.11900  1.0 1.0
   47    46    53    54   0.76850 -1.0 2.0
   47    46    53    54   0.14100  1.0 3.0
   47    46    53    57   1.00000 -1.0 2.0
   54    53    57    33   7.00000 -1.0 2.0
   54    53    57    58   7.00000 -1.0 2.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42  -0.28300  1.0 1.0
   57    33   -37    42   0.26700 -1.0 2.0
   57    33   -37    42  -0.63300  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.34400  1.0 1.0
   57    33    39    44   0.09450 -1.0 2.0
   57    33    39    44   0.11100  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    53   0.09850  1.0 1.0
   39    33    57    53   0.15250 -1.0 2.0
   39    33    57    53  -0.50650  1.0 3.0
   39    33    57    58   0.00000  1.0 1.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    55   0.00000  1.0 1.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48    55    56   2.00000 -1.0 2.0
   44    48    55    59   2.00000 -1.0 2.0
   45    44    48    49   0.09500  1.0 3.0
   45    44    48    55  -0.22200  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    55    59    60   0.97550 -1.0 2.0
   48    55    59    61   1.09700  1.0 1.0
   48    55    59    61   0.56350 -1.0 2.0
   48    55    59    61   0.49350  1.0 3.0
   49    48    55    56   2.00000 -1.0 2.0
   49    48    55    59   2.00000 -1.0 2.0
   55    59    61    62   7.00000 -1.0 2.0
   55    59    61    72   7.00000 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   1.36050 -1.0 2.0
   59    61    62    63  -0.18600  1.0 3.0
   59    61    62    64   0.28850  1.0 1.0
   59    61    62    64   2.61350 -1.0 2.0
   59    61    62    64   0.78400  1.0 3.0
   59    61    72    70   0.09850  1.0 1.0
   59    61    72    70   0.15250 -1.0 2.0
   59    61    72    70  -0.50650  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    72   7.00000 -1.0 2.0
   61    62    64    65   7.00000 -1.0 2.0
   61    62    64    67   7.00000 -1.0 2.0
   62    61    72    70   0.98200  1.0 1.0
   62    61    72    70  -0.11900 -1.0 2.0
   62    61    72    70   0.24250  1.0 3.0
   62    61    72    73   0.00000  1.0 1.0
   62    61    72    74   0.00000  1.0 1.0
   62    64    65    66   1.00000 -1.0 2.0
   62    64   -65    70  -0.54700  1.0 1.0
   62    64   -65    70   1.23000 -1.0 2.0
   62    64    67    68  -0.04000 -1.0 2.0
   62    64    67    68  -0.29050  1.0 3.0
   62    64    67    69  -0.04000 -1.0 2.0
   62    64    67    69  -0.29050  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    67   7.00000 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.25450  1.0 1.0
   64    65    70    72  -0.61700 -1.0 2.0
   64    65    70    72  -0.23550  1.0 3.0
   64    65    70    75  -0.12500  1.0 1.0
   64    65    70    75  -0.12500 -1.0 2.0
   64    65    70    75   0.25000  1.0 3.0
   65    64    67    68   1.91650 -1.0 2.0
   65    64    67    69   1.91650 -1.0 2.0
   65    70   -72    61   0.21700  1.0 1.0
   65    70   -72    61   0.68550 -1.0 2.0
   65    70   -72    61  -0.27950  1.0 3.0
   65    70    72    73   0.22950  1.0 3.0
   65    70    72    74   0.22950  1.0 3.0
   65    70    75    76   0.00000  1.0 1.0
   65    70    75    77   0.00000  1.0 1.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   66    65    70    75   0.00000  1.0 1.0
   71    70    72    61   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    77   0.00000  1.0 1.0
   72    61    62    63   0.00000  1.0 1.0
   72    61   -62    64  -0.18600  1.0 3.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
   75    70    72    61  -0.98800  1.0 1.0
   75    70    72    61   0.48800 -1.0 2.0
   75    70    72    61   0.76800  1.0 3.0
   75    70    72    73  -0.03800  1.0 3.0
   75    70    72    74  -0.03800  1.0 3.0
   67    64    65    66   1.82350 -1.0 2.0
   67    64    65    70   1.00000 -1.0 2.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    55   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    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   46    54    53    57   1.10000 -1.0 2.0
   33    58    57    53   1.10000 -1.0 2.0
   44    49    48    55   1.00000 -1.0 2.0
   59    56    55    48  10.50000 -1.0 2.0
   55    60    59    61   1.10000 -1.0 2.0
   62    72    61    59   1.10000 -1.0 2.0
   61    63    62    64   1.10000 -1.0 2.0
   65    67    64    62   1.10000 -1.0 2.0
   70    64    65    66   1.00000 -1.0 2.0
   76    70    75    77  10.50000 -1.0 2.0
   68    64    67    69  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
END
