* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    236     439
    1     0 S   NP   _N1_     1    29.47873    93.02416   -23.88420
    2     1 S   H    _HN1     2     1.02775   108.11811   -88.36431
    3     1 S   H    _H1_     3     1.02955    89.19998    20.72660
    4     1 S   H    _H2_     4     1.02823    19.26078   179.01662
    5     1 S   CT   _CA1     5     1.50145   125.50400   135.37029
    6     5 S   HC   _HA1     6     1.09577   105.17289    73.24900
    7     5 S   CO3  _C1_     7     1.53796   112.44180   -46.83790
    8     7 S   O2Z  _O11     8     1.26367   115.00640   -41.22165
    9     7 S   O2Z  _O12     9     1.26248   114.94620   137.78160
   10     5 S   CT   _CB1    10     1.53076   107.37769  -168.86824
   11    10 S   HC   HB11    11     1.09826   109.26850   -50.19135
   12    10 S   HC   HB12    12     1.09821   110.45386    66.37249
   13    10 S   CT   _CG1    13     1.52981   112.68851  -171.27692
   14    13 S   HC   HG11    14     1.09592   110.44017   -65.61559
   15    13 S   HC   HG12    15     1.09660   109.97834    53.64186
   16    13 S   C    _CD1    16     1.51783   112.30276   173.90092
   17    16 S   O    _OE1    17     1.22745   123.32093    -0.79031
   18    16 S   N    _N2_    18     1.38698   111.64750   179.50584
   19    18 S   H    _HN2    19     1.01585   119.03828     1.67585
   20    18 S   CT1  _CA2    20     1.46042   123.24668   179.46808
   21    20 S   HC   _HA2    21     1.09575   109.24988    -2.08093
   22    20 S   C    _C2_    22     1.53464   109.02109  -117.14995
   23    22 S   O    _O2_    23     1.23063   122.17349  -150.01663
   24    20 S   CT   _CB2    32     1.53393   111.82798   120.17215
   25    24 S   HC   HB21    33     1.09656   109.59787    65.00585
   26    24 S   HC   HB22    34     1.09576   110.76898  -177.75563
   27    22 S   N    _N3_    24     1.38309   113.71111    37.57864
   28    27 S   H    _HN3    25     1.01616   119.53679    -3.75056
   29    24 S   S    _SG2    35     1.82899   114.86280   -54.74904
   30    27 S   CT   _CA3    26     1.45284   123.14110   176.86968
   31    30 S   HC   HA31    27     1.09552   107.55734   -63.12903
   32    30 S   HC   HA32    28     1.09558   107.91385    53.27581
   33    29 S   CT   _C18    36     1.82798   100.00422   -65.14312
   34    33 S   HC   _H3_    37     1.09454   107.14344   -59.64413
   35    33 S   HC   _H4_    38     1.09271   108.70764    58.49200
   36    30 S   CO3  _C3_    29     1.52936   114.13528   175.25038
   37    36 S   O2Z  _O31    30     1.26365   116.06658    -0.27554
   38    36 S   O2Z  _O32    31     1.26430   114.40775   179.77015
   39    33 S   CT   _C11    39     1.52710   111.16117   179.97202
   40    39 S   HC   _H30    40     1.09935   110.22470    42.04544
   41    39 S   CO4  _C5_    41     1.51055   114.01617   -78.00972
   42    41 S   O    _O16    42     1.22028   126.95383    32.05619
   43    41 S   OS   _O17    43     1.36620   109.08552  -150.06591
   44    43 S   CT   _C14    44     1.44138   110.18636     2.61217
   45    44 S   HC   _H33    45     1.09863   106.83176   -94.71484
   46    44 S   CT   _C7_    46     1.52566   107.27313   148.87133
   47    46 S   HC   _H23    47     1.09941   107.97680    73.73825
   48    46 S   HC   _H24    48     1.09887   110.11814   -38.17288
   49    39 S   CT   _C13    57     1.54123   115.80928   164.87896
   50    49 S   HC   _H32    58     1.09757   108.54413   -85.45834
   51    46 S   CM   _C4_    49     1.50839   115.15435  -162.57243
   52    51 S   CT   _C10    50     1.51171   114.07393    86.43340
   53    52 S   HC   _H29    51     1.10138   105.78798    49.46607
   54    51 S   CM   _C6_    73     1.34213   120.07712   -98.37800
   55    54 S   HC   _H21    74     1.08280   122.69765  -176.73307
   56    54 S   HC   _H22    75     1.08576   121.00482     3.02692
   57    52 S   CT   _C12    52     1.53733   114.63257   -70.15008
   58    57 S   HC   _H31    53     1.10115   108.91697   -62.74581
   59    57 S   CT   _C8_    54     1.53875   116.07137    57.03241
   60    59 S   HC   _H25    55     1.09621   111.24761    49.24852
   61    59 S   HC   _H26    56     1.09429   106.25734   165.21795
   62    57 S   CT   _C16    59     1.55439   102.45739  -176.15733
   63    62 S   CT   _C9_    60     1.55170   105.17503    28.32021
   64    63 S   HC   _H27    61     1.09667   110.28975  -117.41486
   65    63 S   HC   _H28    62     1.09536   112.04470   121.92406
   66    62 S   CT   _C17    67     1.53106   114.97513   -93.70956
   67    66 S   HC   _H35    68     1.09521   111.40399   -66.88547
   68    66 S   HC   _H36    69     1.09643   110.48639   175.75195
   69    66 S   HC   _H37    70     1.09440   111.96333    55.15423
   70    62 S   OH   _O19    71     1.42730   108.28240   145.67490
   71    70 S   HO   _H41    72     0.97249   107.95289  -175.78546
   72    52 S   CT   _C15    63     1.54111   120.26286   169.23042
   73    72 S   HC   _H34    64     1.09462   112.55857   -66.16199
   74    72 S   OH   _O18    65     1.42487   111.86159    56.60885
   75    74 S   HO   _H40    66     0.97241   107.52006   177.59808
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5   4
   9   4  13  19   9   4   1   1  17   8   7   2   1  12  12   6
   5   6   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    59    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    57    59    60    61    49    50  
   41    42    43    44    59    49    50  
   42    43    44    45    46    59    49    50  
   43    44    49  
   44    45    46    47    48    51    59    49    50  
   45    46    47    48    51    52    57    59    60    61    49    50    54  
   46    47    48    51    59    49    50  
   47    48    51    52    53    57    59    49    50    72    54    55    56  
   48    51    52    49    54  
   51    52    49    54  
   50    62    51    52    57    58    59    60    61  
   57    59    60    61  
   52    53    57    58    59    62    63    72    73    74    54    55    56  
   53    57    58    59    60    61    62    63    64    65    72    73    74    75    66    70    54    55    56  
   57    58    59    62    63    72    73    74    54  
   55    56    57    72  
   56  
    0  
   58    59    60    61    62    63    64    65    72    73    74    66    67    68    69    70    71  
   59    60    61    62    63    72    66    70  
   60    61    62    63    72    66    70  
   61    62  
   62  
   63    64    65    72    73    74    66    67    68    69    70    71  
   64    65    72    73    74    75    66    67    68    69    70    71  
   65    72    73    74    66    70  
   72    73    74    66    70  
   67    68    69    70    71    72  
   68    69    70  
   69    70  
   70  
   71    72  
    0  
   73    74    75  
   74    75  
   75  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   317.000  1.510
   51    54   549.000  1.340
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    72   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    49   268.000  1.529
   49    50   340.000  1.090
   62    63   268.000  1.529
   62    66   268.000  1.529
   62    70   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   268.000  1.529
   72    73   340.000  1.090
   72    74   320.000  1.410
   74    75   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
   54    55   340.000  1.080
   54    56   340.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    59    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.02700
   44    49    59    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    65.00000  117.92700
   46    51    54    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    53    35.00000  109.50000
   51    52    57    70.00000  112.02700
   51    52    72    70.00000  112.02700
   51    54    55    35.00000  120.00000
   51    54    56    35.00000  120.00000
   52    57    58    37.50000  110.70000
   52    57    59    58.35000  112.70000
   52    57    62    58.35000  112.70000
   52    72    63    58.35000  112.70000
   52    72    73    37.50000  110.70000
   52    72    74    50.00000  109.50000
   57    52    53    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    49    58.35000  112.70000
   57    62    63    58.35000  112.70000
   57    62    66    58.35000  112.70000
   57    62    70    50.00000  109.50000
   59    57    58    37.50000  110.70000
   59    49    50    37.50000  110.70000
   61    59    60    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   62    57    58    37.50000  110.70000
   62    57    59    58.35000  112.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    72    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    55.00000  108.50000
   63    72    73    37.50000  110.70000
   63    72    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   72    52    53    37.50000  110.70000
   72    52    57    58.35000  112.70000
   72    63    64    37.50000  110.70000
   72    63    65    37.50000  110.70000
   72    74    75    55.00000  108.50000
   74    72    73    35.00000  109.50000
   66    62    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    63    50.00000  109.50000
   70    62    66    50.00000  109.50000
   54    51    52    70.00000  124.00000
   56    54    55    35.00000  117.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    59   0.56750  1.0 1.0
   33    39    49    59  -0.07550 -1.0 2.0
   33    39    49    59   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    59   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    59  -0.95700  1.0 1.0
   41    39    49    59  -0.18200 -1.0 2.0
   41    39    49    59   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.61850  1.0 1.0
   43    44    46    51  -0.22750 -1.0 2.0
   43    44    46    51   0.15300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    59   0.62750  1.0 1.0
   43    44    49    59  -0.30950 -1.0 2.0
   43    44    49    59   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.46850  1.0 1.0
   44    46    51    52   0.08550 -1.0 2.0
   44    46    51    52   0.09800  1.0 3.0
   44    46    51    54   0.09850  1.0 1.0
   44    46    51    54   0.15250 -1.0 2.0
   44    46    51    54  -0.50650  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    59   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    59   0.56750  1.0 1.0
   46    44    49    59  -0.07550 -1.0 2.0
   46    44    49    59   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.34800  1.0 3.0
   46    51    52    57   0.46850  1.0 1.0
   46    51    52    57   0.08550 -1.0 2.0
   46    51    52    57   0.09800  1.0 3.0
   46    51    52    72   0.46850  1.0 1.0
   46    51    52    72   0.08550 -1.0 2.0
   46    51    52    72   0.09800  1.0 3.0
   46    51    54    55   7.00000 -1.0 2.0
   46    51    54    56   7.00000 -1.0 2.0
   47    46    51    52   0.34800  1.0 3.0
   47    46    51    54   0.00000  1.0 1.0
   48    46    51    52   0.34800  1.0 3.0
   48    46    51    54   0.00000  1.0 1.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    59   0.34400  1.0 1.0
   51    52    57    59   0.09450 -1.0 2.0
   51    52    57    59   0.11100  1.0 3.0
   51    52    57    62   0.34400  1.0 1.0
   51    52    57    62   0.09450 -1.0 2.0
   51    52    57    62   0.11100  1.0 3.0
   51    52    72    63   0.34400  1.0 1.0
   51    52    72    63   0.09450 -1.0 2.0
   51    52    72    63   0.11100  1.0 3.0
   51    52    72    73   0.15000  1.0 3.0
   51    52    72    74   1.05650  1.0 1.0
   51    52    72    74   0.15600 -1.0 2.0
   51    52    72    74   0.53150  1.0 3.0
   52    51    54    55   7.00000 -1.0 2.0
   52    51    54    56   7.00000 -1.0 2.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    61   0.15000  1.0 3.0
   52    57    59    49   0.56750  1.0 1.0
   52    57    59    49  -0.07550 -1.0 2.0
   52    57    59    49   0.20000  1.0 3.0
   52    57   -62    63   0.56750  1.0 1.0
   52    57   -62    63  -0.07550 -1.0 2.0
   52    57   -62    63   0.20000  1.0 3.0
   52    57    62    66   0.56750  1.0 1.0
   52    57    62    66  -0.07550 -1.0 2.0
   52    57    62    66   0.20000  1.0 3.0
   52    57    62    70   0.86500  1.0 1.0
   52    57    62    70  -0.17500 -1.0 2.0
   52    57    62    70   0.20800  1.0 3.0
   52    72    74    75  -0.11600  1.0 1.0
   52    72    74    75  -0.09450 -1.0 2.0
   52    72    74    75   0.21250  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   53    52    72    63   0.15000  1.0 3.0
   53    52    72    73   0.15000  1.0 3.0
   53    52    72    74   0.23400  1.0 3.0
   57    52   -72    63   0.56750  1.0 1.0
   57    52   -72    63  -0.07550 -1.0 2.0
   57    52   -72    63   0.20000  1.0 3.0
   57    52    72    73   0.15000  1.0 3.0
   57    52    72    74   0.86500  1.0 1.0
   57    52    72    74  -0.17500 -1.0 2.0
   57    52    72    74   0.20800  1.0 3.0
   57    59    49    39   0.56750  1.0 1.0
   57    59    49    39  -0.07550 -1.0 2.0
   57    59    49    39   0.20000  1.0 3.0
   57    59    49    44   0.56750  1.0 1.0
   57    59    49    44  -0.07550 -1.0 2.0
   57    59    49    44   0.20000  1.0 3.0
   57    59    49    50   0.15000  1.0 3.0
   57    62    63    64   0.15000  1.0 3.0
   57    62    63    65   0.15000  1.0 3.0
   57    62   -63    72   0.56750  1.0 1.0
   57    62   -63    72  -0.07550 -1.0 2.0
   57    62   -63    72   0.20000  1.0 3.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    68   0.15000  1.0 3.0
   57    62    66    69   0.15000  1.0 3.0
   57    62    70    71  -0.11600  1.0 1.0
   57    62    70    71  -0.09450 -1.0 2.0
   57    62    70    71   0.21250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    49   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    66   0.15000  1.0 3.0
   58    57    62    70   0.23400  1.0 3.0
   59    57    62    63   0.56750  1.0 1.0
   59    57    62    63  -0.07550 -1.0 2.0
   59    57    62    63   0.20000  1.0 3.0
   59    57    62    66   0.56750  1.0 1.0
   59    57    62    66  -0.07550 -1.0 2.0
   59    57    62    66   0.20000  1.0 3.0
   59    57    62    70   0.86500  1.0 1.0
   59    57    62    70  -0.17500 -1.0 2.0
   59    57    62    70   0.20800  1.0 3.0
   60    59    49    39   0.15000  1.0 3.0
   60    59    49    44   0.15000  1.0 3.0
   60    59    49    50   0.15000  1.0 3.0
   61    59    49    39   0.15000  1.0 3.0
   61    59    49    44   0.15000  1.0 3.0
   61    59    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    49   0.56750  1.0 1.0
   62    57    59    49  -0.07550 -1.0 2.0
   62    57    59    49   0.20000  1.0 3.0
   62    63   -72    52   0.56750  1.0 1.0
   62    63   -72    52  -0.07550 -1.0 2.0
   62    63   -72    52   0.20000  1.0 3.0
   62    63    72    73   0.15000  1.0 3.0
   62    63    72    74   0.86500  1.0 1.0
   62    63    72    74  -0.17500 -1.0 2.0
   62    63    72    74   0.20800  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    70    71  -0.11600  1.0 1.0
   63    62    70    71  -0.09450 -1.0 2.0
   63    62    70    71   0.21250  1.0 3.0
   63    72    74    75  -0.11600  1.0 1.0
   63    72    74    75  -0.09450 -1.0 2.0
   63    72    74    75   0.21250  1.0 3.0
   64    63    72    52   0.15000  1.0 3.0
   64    63    72    73   0.15000  1.0 3.0
   64    63    72    74   0.23400  1.0 3.0
   65    63    72    52   0.15000  1.0 3.0
   65    63    72    73   0.15000  1.0 3.0
   65    63    72    74   0.23400  1.0 3.0
   72    52    57    58   0.15000  1.0 3.0
   72    52    57    59   0.56750  1.0 1.0
   72    52    57    59  -0.07550 -1.0 2.0
   72    52    57    59   0.20000  1.0 3.0
   72    52   -57    62   0.56750  1.0 1.0
   72    52   -57    62  -0.07550 -1.0 2.0
   72    52   -57    62   0.20000  1.0 3.0
   73    72    74    75   0.19450  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    72   0.56750  1.0 1.0
   66    62    63    72  -0.07550 -1.0 2.0
   66    62    63    72   0.20000  1.0 3.0
   66    62    70    71  -0.11600  1.0 1.0
   66    62    70    71  -0.09450 -1.0 2.0
   66    62    70    71   0.21250  1.0 3.0
   70    62    63    64   0.23400  1.0 3.0
   70    62    63    65   0.23400  1.0 3.0
   70    62    63    72   0.86500  1.0 1.0
   70    62    63    72  -0.17500 -1.0 2.0
   70    62    63    72   0.20800  1.0 3.0
   70    62    66    67   0.23400  1.0 3.0
   70    62    66    68   0.23400  1.0 3.0
   70    62    66    69   0.23400  1.0 3.0
   54    51    52    53   0.00000  1.0 1.0
   54    51    52    57   0.09850  1.0 1.0
   54    51    52    57   0.15250 -1.0 2.0
   54    51    52    57  -0.50650  1.0 3.0
   54    51    52    72   0.09850  1.0 1.0
   54    51    52    72   0.15250 -1.0 2.0
   54    51    52    72  -0.50650  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    52    51    54   1.10000 -1.0 2.0
   55    56    54    51   1.10000 -1.0 2.0
END
