* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    111    170     330
    1     0 S   NP   _N1_     1    28.03398    96.40479   -23.64627
    2     1 S   H    _HN1     2     1.02957    77.62321    -5.29731
    3     1 S   H    _H1_     3     1.02836    30.87666   156.88785
    4     1 S   H    _H2_     4     1.02777   109.46862  -110.60955
    5     1 S   CT   _CA1     5     1.50145   131.59936   101.09320
    6     5 S   HC   _HA1     6     1.09577   105.18798    86.16573
    7     5 S   CO3  _C1_     7     1.53765   112.33536   -33.96848
    8     7 S   O2Z  _O11     8     1.26367   114.98777   -44.12786
    9     7 S   O2Z  _O12     9     1.26232   114.92201   134.83723
   10     5 S   CT   _CB1    10     1.53085   107.40754  -155.97109
   11    10 S   HC   HB11    11     1.09831   109.25981   -50.49985
   12    10 S   HC   HB12    12     1.09814   110.46003    66.02898
   13    10 S   CT   _CG1    13     1.53041   112.71761  -171.56213
   14    13 S   HC   HG11    14     1.09590   110.52892   -65.78199
   15    13 S   HC   HG12    15     1.09661   109.87957    53.43567
   16    13 S   C    _CD1    16     1.51859   112.23335   173.75477
   17    16 S   O    _OE1    17     1.22769   123.25531     2.80679
   18    16 S   N    _N2_    18     1.38583   111.80641  -177.10822
   19    18 S   H    _HN2    19     1.01560   119.06972     3.63900
   20    18 S   CT1  _CA2    20     1.45802   122.73424   177.28329
   21    20 S   HC   _HA2    21     1.09737   108.84510    26.24801
   22    20 S   C    _C2_    22     1.52975   107.07306   -90.73177
   23    22 S   O    _O2_    23     1.22972   123.09316   -26.52549
   24    20 S   CT   _CB2    32     1.53205   112.41247   149.48021
   25    24 S   HC   HB21    33     1.09537   110.19999    54.22910
   26    24 S   HC   HB22    34     1.09525   109.96057   173.11536
   27    22 S   N    _N3_    24     1.38506   112.51575   156.27045
   28    27 S   H    _HN3    25     1.01655   120.33138    -2.43687
   29    24 S   S    _SG2    35     1.82529   111.21927   -66.80652
   30    27 S   CT   _CA3    26     1.45354   122.53221   178.52157
   31    30 S   HC   HA31    27     1.09566   107.90124   -53.98576
   32    30 S   HC   HA32    28     1.09560   107.54155    62.37198
   33    29 S   CT   _C12    36     1.84223    99.76373  -172.54989
   34    33 S   HC   _H3_    37     1.09261   104.84016    42.86511
   35    30 S   CO3  _C3_    29     1.52897   114.28265  -175.92821
   36    35 S   O2Z  _O31    30     1.26341   116.04572     0.61230
   37    35 S   O2Z  _O32    31     1.26432   114.41707  -179.45751
   38    33 S   CM   _C4_    38     1.54631   109.58466   159.85564
   39    33 S   NT   _N11    61     1.46159   111.89083   -72.36301
   40    39 S   H    _H27    62     1.01735   109.67369   174.57245
   41    39 S   H    _H28    63     1.01677   109.57784    58.02632
   42    38 S   CMA  _C5_    39     1.37529   123.40372    70.80428
   43    42 S   OM   _O33    40     1.26732   125.58508     5.34962
   44    42 S   OS   _O14    41     1.40954   116.48227  -174.22233
   45    44 S   CT   _C10    42     1.42408   114.73572    33.20483
   46    45 S   HC   _H23    43     1.09489   107.67249   173.39040
   47    45 S   HC   _H24    44     1.09725   110.81463    56.08366
   48    45 S   CT   _C9_    45     1.50736   107.61228   -67.94101
   49    48 S   HC   _H21    46     1.09602   109.48681  -176.02128
   50    48 S   HC   _H22    47     1.09676   107.61433   -59.04371
   51    38 S   CT   _C11    48     1.55024   114.07564  -108.90170
   52    51 S   CT   _C13    49     1.56800   112.81928   -61.60309
   53    52 S   HC   _H26    50     1.09676   109.59875    57.58059
   54    51 S   OH   _O15    59     1.44213   105.30482    56.07912
   55    54 S   HO   _H29    60     0.97192   108.50435   178.53955
   56    52 S   CM   _C7_    51     1.51419   113.90450   177.60085
   57    56 S   HC   _H19    52     1.08781   117.96320    63.48193
   58    52 S   CO4  _C8_    56     1.52830   111.55229   -58.70159
   59    58 S   O    _O13    57     1.22780   125.21538  -120.39648
   60    58 S   HC   _H20    58     1.10309   115.31112    61.07098
   61    56 S   CM   _C6_    53     1.33877   123.97406  -117.29578
   62    61 S   HC   _H17    54     1.08484   120.44429  -179.54286
   63    61 S   HC   _H18    55     1.08457   121.70370     0.45800
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1  17   4   1   1   9   3   7   8   5   4   9
   4   3  10  11   7   3   1   7   4   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    51    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    48    51    52    54    39    40    41  
   38    42    51    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    48    49    50    51    52    53    56    58    54    55    39    40    41  
   40    41    42    51  
   41  
    0  
   43    44    45    46    47    48    51    52    54  
   44    45    51  
   45    46    47    48    49    50    51  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    56    58    54    55  
   50    51    52    54  
   51    52    54  
   52    53    56    57    61    58    59    60    54    55  
   53    56    57    61    62    63    58    59    60    54    55  
   56    57    61    58    59    60    54  
   55    56    58  
    0  
   57    61    62    63    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    63  
   63  
    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   0.287500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   382.000  1.448
   38    42   465.000  1.376
   38    51   317.000  1.510
   42    43   745.000  1.250
   42    44   440.000  1.360
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   320.000  1.410
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    58   317.000  1.522
   56    57   340.000  1.080
   56    61   549.000  1.340
   61    62   340.000  1.080
   61    63   340.000  1.080
   58    59   570.000  1.229
   58    60   340.000  1.090
   54    55   553.000  0.945
   39    40   434.000  1.010
   39    41   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  109.00000
   33    38    42    70.00000  124.00000
   33    38    51    65.00000  117.92700
   33    39    40    35.00000  109.50000
   33    39    41    35.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    80.00000  120.01400
   38    51    48    70.00000  112.02700
   38    51    52    70.00000  112.02700
   38    51    54    90.00000  110.39200
   42    44    45    90.00000  111.18400
   44    42    43    65.00000  121.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    50.00000  109.50000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    50.00000  109.50000
   50    48    49    33.00000  107.80000
   51    38    42    70.00000  124.00000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    56    70.00000  112.02700
   51    52    58    63.00000  111.10000
   51    54    55    55.00000  108.50000
   52    56    57    35.00000  117.00000
   52    56    61    70.00000  124.00000
   52    58    59    80.00000  120.40000
   52    58    60    35.00000  115.00000
   56    52    53    35.00000  109.50000
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   61    56    57    35.00000  120.00000
   63    61    62    35.00000  117.00000
   58    52    53    35.00000  109.50000
   58    52    56    70.00000  109.06800
   60    58    59    35.00000  123.00000
   54    51    52    50.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    75.00000  110.70900
   41    39    40    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    51   0.30250  1.0 1.0
   29    33    38    51  -0.14950 -1.0 2.0
   29    33    38    51   0.36900  1.0 3.0
   29    33    39    40  -0.05900  1.0 1.0
   29    33    39    40   0.08350 -1.0 2.0
   29    33    39    40   0.12500  1.0 3.0
   29    33    39    41  -0.05900  1.0 1.0
   29    33    39    41   0.08350 -1.0 2.0
   29    33    39    41   0.12500  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    51    48   0.46850  1.0 1.0
   33    38    51    48   0.08550 -1.0 2.0
   33    38    51    48   0.09800  1.0 3.0
   33    38    51    52   0.46850  1.0 1.0
   33    38    51    52   0.08550 -1.0 2.0
   33    38    51    52   0.09800  1.0 3.0
   33    38    51    54   0.18000  1.0 1.0
   33    38    51    54   0.16450 -1.0 2.0
   33    38    51    54   0.04450  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    51   0.34800  1.0 3.0
   34    33    39    40   0.20000  1.0 3.0
   34    33    39    41   0.20000  1.0 3.0
   38    33    39    40   0.12450  1.0 1.0
   38    33    39    40  -0.40750 -1.0 2.0
   38    33    39    40   0.30300  1.0 3.0
   38    33    39    41   0.12450  1.0 1.0
   38    33    39    41  -0.40750 -1.0 2.0
   38    33    39    41   0.30300  1.0 3.0
   38    42    44    45  -2.26850  1.0 1.0
   38    42    44    45   3.39050 -1.0 2.0
   38    51    52    53   0.15000  1.0 3.0
   38    51    52    56   0.31000  1.0 1.0
   38    51    52    56   0.14700 -1.0 2.0
   38    51    52    56   0.07550  1.0 3.0
   38    51    52    58  -0.98800  1.0 1.0
   38    51    52    58   0.48800 -1.0 2.0
   38    51    52    58   0.76800  1.0 3.0
   38    51    54    55  -0.07800  1.0 1.0
   38    51    54    55  -0.21500 -1.0 2.0
   38    51    54    55  -0.03150  1.0 3.0
   42    38    51    48   0.09850  1.0 1.0
   42    38    51    48   0.15250 -1.0 2.0
   42    38    51    48  -0.50650  1.0 3.0
   42    38    51    52   0.09850  1.0 1.0
   42    38    51    52   0.15250 -1.0 2.0
   42    38    51    52  -0.50650  1.0 3.0
   42    38    51    54   0.67800  1.0 1.0
   42    38    51    54   0.47050 -1.0 2.0
   42    38    51    54  -0.62500  1.0 3.0
   42    44    45    46   0.08050  1.0 3.0
   42    44    45    47   0.08050  1.0 3.0
   42    44   -45    48  -0.46850  1.0 1.0
   42    44   -45    48   0.09300 -1.0 2.0
   42    44   -45    48  -0.12850  1.0 3.0
   43    42    44    45   2.00000 -1.0 2.0
   44    45    48    49   0.23400  1.0 3.0
   44    45    48    50   0.23400  1.0 3.0
   44    45    48    51   0.62750  1.0 1.0
   44    45    48    51  -0.30950 -1.0 2.0
   44    45    48    51   0.27300  1.0 3.0
   45    48   -51    38   0.34400  1.0 1.0
   45    48   -51    38   0.09450 -1.0 2.0
   45    48   -51    38   0.11100  1.0 3.0
   45    48    51    52   0.56750  1.0 1.0
   45    48    51    52  -0.07550 -1.0 2.0
   45    48    51    52   0.20000  1.0 3.0
   45    48    51    54   0.86500  1.0 1.0
   45    48    51    54  -0.17500 -1.0 2.0
   45    48    51    54   0.20800  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    52    53   0.15000  1.0 3.0
   48    51    52    56   0.34400  1.0 1.0
   48    51    52    56   0.09450 -1.0 2.0
   48    51    52    56   0.11100  1.0 3.0
   48    51    52    58  -0.95700  1.0 1.0
   48    51    52    58  -0.18200 -1.0 2.0
   48    51    52    58   0.29450  1.0 3.0
   48    51    54    55  -0.11600  1.0 1.0
   48    51    54    55  -0.09450 -1.0 2.0
   48    51    54    55   0.21250  1.0 3.0
   49    48    51    38   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    54   0.23400  1.0 3.0
   50    48    51    38   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    54   0.23400  1.0 3.0
   51    38    42    43   7.00000 -1.0 2.0
   51    38   -42    44   7.00000 -1.0 2.0
   51    52    56    57   0.00000  1.0 1.0
   51    52    56    61   0.09850  1.0 1.0
   51    52    56    61   0.15250 -1.0 2.0
   51    52    56    61  -0.50650  1.0 3.0
   51    52    58    59   0.30150 -1.0 2.0
   51    52    58    60   0.74550  1.0 1.0
   51    52    58    60  -0.00500 -1.0 2.0
   52    51    54    55  -0.11600  1.0 1.0
   52    51    54    55  -0.09450 -1.0 2.0
   52    51    54    55   0.21250  1.0 3.0
   52    56    61    62   7.00000 -1.0 2.0
   52    56    61    63   7.00000 -1.0 2.0
   53    52    56    57   0.33100  1.0 3.0
   53    52    56    61   0.00000  1.0 1.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   56    52    58    59   0.30150 -1.0 2.0
   56    52    58    60   0.81450  1.0 1.0
   56    52    58    60  -0.29600 -1.0 2.0
   56    52    58    60   0.60450  1.0 3.0
   57    56    61    62   7.00000 -1.0 2.0
   57    56    61    63   7.00000 -1.0 2.0
   58    52    56    57   0.00000  1.0 1.0
   58    52    56    61  -0.51250  1.0 1.0
   58    52    56    61  -0.88800 -1.0 2.0
   58    52    56    61   0.08850  1.0 3.0
   54    51    52    53   0.23400  1.0 3.0
   54    51    52    56   1.05650  1.0 1.0
   54    51    52    56   0.15600 -1.0 2.0
   54    51    52    56   0.53150  1.0 3.0
   54    51    52    58  -0.09450  1.0 1.0
   54    51    52    58  -1.12950 -1.0 2.0
   54    51    52    58   0.54000  1.0 3.0
   39    33    38    42   0.90200  1.0 1.0
   39    33    38    42   0.57900 -1.0 2.0
   39    33    38    42  -0.62100  1.0 3.0
   39    33    38    51   0.52100  1.0 1.0
   39    33    38    51  -0.20350 -1.0 2.0
   39    33    38    51   0.29750  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
   37    30    35    36  10.50000 -1.0 2.0
   33    51    38    42   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
   52    57    56    61  15.00000 -1.0 2.0
   62    63    61    56  15.00000 -1.0 2.0
   52    60    58    59  10.50000 -1.0 2.0
END
