* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    115    178     338
    1     0 S   NP   _N1_     1    29.36549    94.34280   -18.37590
    2     1 S   H    _HN1     2     1.03195   111.61254    47.03299
    3     1 S   H    _H1_     3     1.02814    36.58860   136.68694
    4     1 S   H    _H2_     4     1.02769    72.12930   -55.72338
    5     1 S   CT   _CA1     5     1.50294   133.18031  -159.70317
    6     5 S   HC   _HA1     6     1.09584   105.18841    26.17692
    7     5 S   CO3  _C1_     7     1.53855   112.40338   -93.58649
    8     7 S   O2Z  _O11     8     1.26368   115.19191   -42.90308
    9     7 S   O2Z  _O12     9     1.26246   114.88852   136.17498
   10     5 S   CT   _CB1    10     1.53014   107.10871   143.63818
   11    10 S   HC   HB11    11     1.09822   109.08040   -52.95229
   12    10 S   HC   HB12    12     1.09626   110.31075    63.11075
   13    10 S   CT   _CG1    13     1.53038   113.60156  -174.73028
   14    13 S   HC   HG11    14     1.09509   110.18305   -59.14251
   15    13 S   HC   HG12    15     1.09562   110.62648    60.15624
   16    13 S   C    _CD1    16     1.51893   110.67571   179.59410
   17    16 S   O    _OE1    17     1.22868   122.39628   -36.03998
   18    16 S   N    _N2_    18     1.38438   112.69733   144.61972
   19    18 S   H    _HN2    19     1.01586   119.39838     2.06270
   20    18 S   CT1  _CA2    20     1.46378   123.27387  -176.06498
   21    20 S   HC   _HA2    21     1.09743   109.21349   -14.37977
   22    20 S   C    _C2_    22     1.53351   108.95847  -129.98972
   23    22 S   O    _O2_    23     1.23029   122.38967  -151.37540
   24    20 S   CT   _CB2    32     1.53558   111.06779   107.32333
   25    24 S   HC   HB21    33     1.09540   109.45961    54.57525
   26    24 S   HC   HB22    34     1.09464   110.89631   173.63253
   27    22 S   N    _N3_    24     1.38408   113.54269    36.60364
   28    27 S   H    _HN3    25     1.01652   119.48712    -4.01278
   29    24 S   S    _SG2    35     1.82959   111.17207   -66.52668
   30    27 S   CT   _CA3    26     1.45286   122.97589   176.70384
   31    30 S   HC   HA31    27     1.09556   107.59917   -61.69641
   32    30 S   HC   HA32    28     1.09561   107.83447    54.65420
   33    29 S   CT   _C9_    36     1.83758    99.56583   156.01774
   34    33 S   HC   _H4_    37     1.09479   107.27932   -46.31071
   35    30 S   CO3  _C3_    29     1.52893   114.26102   176.61586
   36    35 S   O2Z  _O31    30     1.26345   116.09657     0.10835
   37    35 S   O2Z  _O32    31     1.26443   114.39692  -179.87967
   38    33 S   CT   _C10    38     1.52414   111.22560    78.50791
   39    38 S   HC   _H5_    39     1.09752   114.67899   -30.14276
   40    38 S   CT   _C11    40     1.53485   104.27839    92.21412
   41    40 S   HC   _H6_    41     1.09657   111.57777   135.00001
   42    38 S   OS   _O37    61     1.43610   107.74429  -154.09346
   43    40 S   OS   _O35    42     1.44283   107.47673    18.39025
   44    40 S   CT   _C12    56     1.52688   113.36294  -100.89224
   45    44 S   HC   _H10    57     1.09328   111.88181    71.07580
   46    44 S   HC   _H11    58     1.09423   110.97858   -51.79083
   47    42 S   PR   _P1_    62     1.62121   117.61748   111.92274
   48    47 S   OM   _O39    63     1.64039    97.62409  -173.69472
   49    47 S   OM   _O38    64     1.64129    98.14257   -74.48197
   50    33 S   CO   _C8_    43     1.53730   114.37000  -167.12462
   51    50 S   HC   _H3_    44     1.09886   108.29122   158.87453
   52    44 S   OH   _O36    59     1.42585   109.04898  -170.38411
   53    52 S   HO   _H12    60     0.97225   106.96963  -179.75213
   54    50 S   N*   _N4_    45     1.46913   115.71320    39.11175
   55    54 S   CM   _C5_    46     1.38298   120.77241  -103.11429
   56    55 S   HC   _H8_    47     1.08437   117.24814    -2.15359
   57    55 S   CM   _C4_    48     1.33489   123.17041   177.14926
   58    57 S   HC   _H7_    49     1.08265   122.12133  -179.49798
   59    57 S   C    _C7_    50     1.47399   119.28507    -0.87111
   60    59 S   O    _O34    51     1.22759   121.01110  -176.60454
   61    59 S   NNB  _N5_    52     1.38062   114.74429     2.07848
   62    61 S   H    _H9_    53     1.01789   116.72077  -178.76267
   63    54 S   C    _C6_    54     1.40509   118.03098    74.47063
   64    63 S   O    _O33    55     1.23215   124.25921     2.03817
  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  10   5   4   3
  14   8   2   1   1  15   7  12   7   6   9   5   3   2   2   1
   1   8   3   1   1   9   8   4   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    50    51    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    54    55    63    44    42    47  
   38    39    40    43    50    51    54    42  
   36    37  
   37  
    0  
   39    40    41    43    50    51    54    44    45    46    52    42    47    48    49  
   40    41    43    50    44    42    47  
   41    43    50    51    54    44    45    46    52    53    42    47  
   43    50    44    45    46    52    42  
   47    48    49    43    44    50  
   50    51    54    55    63    44    45    46    52  
   45    46    52    53    50  
   46    52    53  
   52    53  
   48    49  
   49  
    0  
   51    54    55    56    57    61    63    64  
   54    55    63  
   53  
    0  
   55    56    57    58    59    61    62    63    64  
   56    57    58    59    60    61    63    64  
   57    58    59    63  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64  
   63    64  
   64  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   55   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
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   268.000  1.529
   33    50   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   320.000  1.410
   40    44   268.000  1.529
   43    50   320.000  1.380
   50    51   340.000  1.090
   50    54   275.000  1.479
   54    55   448.000  1.365
   54    63   418.000  1.388
   55    56   340.000  1.080
   55    57   549.000  1.340
   57    58   340.000  1.080
   57    59   410.000  1.444
   59    60   570.000  1.229
   59    61   418.000  1.388
   61    62   434.000  1.010
   61    63   418.000  1.388
   63    64   570.000  1.229
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   320.000  1.410
   52    53   553.000  0.945
   42    47   325.000  1.672
   47    48   325.000  1.672
   47    49   325.000  1.672
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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    50    43    90.00000  108.56700
   33    50    51    45.00000  112.01100
   33    50    54    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    50.00000  109.50000
   38    40    44    58.35000  112.70000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    50    60.00000  109.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    52    50.00000  109.50000
   43    40    41    35.00000  109.50000
   43    50    51    35.00000  109.50000
   43    50    54   105.00000  106.22000
   50    33    34    45.00000  108.72000
   50    33    38    75.00000  109.43000
   50    54    55    70.00000  121.20000
   50    54    63    70.00000  117.60000
   54    50    51    55.00000  103.44000
   54    55    56    35.00000  119.10000
   54    55    57    70.00000  121.20000
   54    63    61    70.00000  118.60000
   54    63    64    80.00000  120.60000
   55    57    58    35.00000  120.00000
   55    57    59    70.00000  118.70000
   57    55    56    35.00000  120.00000
   57    59    60    80.00000  125.30000
   57    59    61    70.00000  114.10000
   59    57    58    35.00000  119.70000
   59    61    62    35.00000  116.80000
   59    61    63    70.00000  126.40000
   61    59    60    80.00000  120.60000
   61    63    64    80.00000  120.60000
   63    54    55    70.00000  121.60000
   63    61    62    35.00000  116.80000
   44    40    41    37.50000  110.70000
   44    40    43    50.00000  109.50000
   44    52    53    55.00000  108.50000
   46    44    45    33.00000  107.80000
   52    44    45    35.00000  109.50000
   52    44    46    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    45.00000  102.60000
   42    47    49    45.00000  102.60000
   49    47    48    35.00000   94.00000
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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    43   0.56750  1.0 1.0
   29    33    50    43  -0.07550 -1.0 2.0
   29    33    50    43   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    43   0.62750  1.0 1.0
   33    38   -40    43  -0.30950 -1.0 2.0
   33    38   -40    43   0.27300  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    50    54    55   2.08450  1.0 1.0
   33    50    54    55  -0.39300 -1.0 2.0
   33    50    54    55   0.23400  1.0 3.0
   33    50    54    63  -0.43950  1.0 1.0
   33    50    54    63  -0.08100 -1.0 2.0
   33    50    54    63   0.03350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    43   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    54   0.15000  1.0 3.0
   38    33   -50    43   0.62750  1.0 1.0
   38    33   -50    43  -0.30950 -1.0 2.0
   38    33   -50    43   0.27300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54  -0.27100  1.0 1.0
   38    33    50    54  -0.01700 -1.0 2.0
   38    33    50    54  -0.48600  1.0 3.0
   38    40   -43    50   0.06250  1.0 1.0
   38    40   -43    50  -0.01100 -1.0 2.0
   38    40   -43    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    52   0.86500  1.0 1.0
   38    40    44    52  -0.17500 -1.0 2.0
   38    40    44    52   0.20800  1.0 3.0
   38    42    47    48   0.05050  1.0 1.0
   38    42    47    48  -1.30700 -1.0 2.0
   38    42    47    48   0.91550  1.0 3.0
   38    42    47    49   0.05050  1.0 1.0
   38    42    47    49  -1.30700 -1.0 2.0
   38    42    47    49   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.23400  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43   -50    33   0.06250  1.0 1.0
   40    43   -50    33  -0.01100 -1.0 2.0
   40    43   -50    33   0.28050  1.0 3.0
   40    43    50    51   0.37050  1.0 3.0
   40    43    50    54  -2.37750  1.0 1.0
   40    43    50    54  -0.08150 -1.0 2.0
   40    43    50    54   0.59000  1.0 3.0
   40    44    52    53  -0.11600  1.0 1.0
   40    44    52    53  -0.09450 -1.0 2.0
   40    44    52    53   0.21250  1.0 3.0
   41    40    43    50   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    52   0.23400  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    52   3.69350  1.0 1.0
   43    40    44    52  -1.82950 -1.0 2.0
   43    50    54    55  -0.28000  1.0 1.0
   43    50    54    55  -1.16550 -1.0 2.0
   43    50    54    63  -2.75650  1.0 1.0
   43    50    54    63  -1.18150 -1.0 2.0
   43    50    54    63   0.81900  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   3.97050  1.0 1.0
   50    33    38    42   0.62750  1.0 1.0
   50    33    38    42  -0.30950 -1.0 2.0
   50    33    38    42   0.27300  1.0 3.0
   50    54    55    56   1.88100 -1.0 2.0
   50    54    55    57  -0.88150  1.0 1.0
   50    54    55    57   2.95600 -1.0 2.0
   50    54    63    61   3.62500 -1.0 2.0
   50    54    63    64   3.04450 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    63   0.00000  1.0 1.0
   54    55    57    58   7.00000 -1.0 2.0
   54    55    57    59   7.00000 -1.0 2.0
   55    54    63    61   3.62500 -1.0 2.0
   55    54    63    64   2.67200 -1.0 2.0
   55    57    59    60   1.00000 -1.0 2.0
   55    57   -59    61   1.50000 -1.0 2.0
   56    55    57    58   7.00000 -1.0 2.0
   56    55    57    59   7.00000 -1.0 2.0
   57    59    61    62   1.52500 -1.0 2.0
   57    59    61    63   7.00000 -1.0 2.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61   -63    54   3.00000 -1.0 2.0
   59    61    63    64   3.04450 -1.0 2.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   3.04450 -1.0 2.0
   62    61    63    54   2.56700 -1.0 2.0
   62    61    63    64   2.45000 -1.0 2.0
   63    54    55    56   1.44600  1.0 1.0
   63    54   -55    57  -0.18900  1.0 1.0
   63    54   -55    57   1.70900 -1.0 2.0
   44    40    43    50   0.06250  1.0 1.0
   44    40    43    50  -0.01100 -1.0 2.0
   44    40    43    50   0.28050  1.0 3.0
   45    44    52    53   0.19450  1.0 3.0
   46    44    52    53   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   1.11900  1.0 1.0
   42    38    40    43  -1.16350 -1.0 2.0
   42    38    40    43  -0.34150  1.0 3.0
   42    38    40    44   0.62750  1.0 1.0
   42    38    40    44  -0.30950 -1.0 2.0
   42    38    40    44   0.27300  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   55    63    54    50   1.00000 -1.0 2.0
   54    56    55    57   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   62    59    61    63   1.00000 -1.0 2.0
   54    61    63    64  10.50000 -1.0 2.0
END
