* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    136    208     402
    1     0 S   NP   _N1_     1    29.63919    90.00853   -21.40461
    2     1 S   H    _HN1     2     1.02781   101.39731   -63.10384
    3     1 S   H    _H1_     3     1.03090   112.97008    51.97774
    4     1 S   H    _H2_     4     1.02808     7.39672    88.76767
    5     1 S   CT   _CA1     5     1.50281   111.24507   177.33553
    6     5 S   HC   _HA1     6     1.09562   105.30501    52.63885
    7     5 S   CO3  _C1_     7     1.53768   112.48141   -67.68164
    8     7 S   O2Z  _O11     8     1.26346   115.11148   -43.09749
    9     7 S   O2Z  _O12     9     1.26251   114.88615   136.18422
   10     5 S   CT   _CB1    10     1.52911   107.16607   170.49157
   11    10 S   HC   HB11    11     1.09794   109.20112   -50.99071
   12    10 S   HC   HB12    12     1.09541   109.89030    65.22279
   13    10 S   CT   _CG1    13     1.53010   113.72446  -173.17967
   14    13 S   HC   HG11    14     1.09492   110.25089   -61.54773
   15    13 S   HC   HG12    15     1.09572   110.62701    57.59176
   16    13 S   C    _CD1    16     1.51903   110.48339   176.61424
   17    16 S   O    _OE1    17     1.22885   122.12928   -43.16151
   18    16 S   N    _N2_    18     1.38421   113.08833   137.79704
   19    18 S   H    _HN2    19     1.01542   119.39496     2.84661
   20    18 S   CT1  _CA2    20     1.46215   123.20972  -179.03978
   21    20 S   HC   _HA2    21     1.09588   109.38496     0.49575
   22    20 S   C    _C2_    22     1.53478   108.59084  -114.78944
   23    22 S   O    _O2_    23     1.23041   122.18930  -143.51601
   24    20 S   CT   _CB2    32     1.53420   111.75584   122.73878
   25    24 S   HC   HB21    33     1.09657   109.61140    62.00760
   26    24 S   HC   HB22    34     1.09575   110.86857   179.32391
   27    22 S   N    _N3_    24     1.38495   113.56163    43.79866
   28    27 S   H    _HN3    25     1.01485   119.06944    -0.12033
   29    24 S   S    _SG2    35     1.82809   114.71200   -57.77554
   30    27 S   CT   _CA3    26     1.45438   123.24973   175.16017
   31    30 S   HC   HA31    27     1.09535   109.04185    28.47671
   32    30 S   HC   HA32    28     1.09491   107.17763   145.45002
   33    29 S   CT   _C18    36     1.82286    99.95605   -67.80154
   34    33 S   HC   _H21    37     1.09443   108.16431   -54.40505
   35    33 S   HC   _H22    38     1.09351   110.03077    62.54485
   36    30 S   CO3  _C3_    29     1.52937   113.22085   -94.85919
   37    36 S   O2Z  _O31    30     1.26393   115.45412   -43.81109
   38    36 S   O2Z  _O32    31     1.26362   114.95340   137.11974
   39    33 S   CM   _C16    39     1.50204   110.48681  -176.61968
   40    39 S   CMA  _C17    40     1.35405   127.56589   112.90705
   41    40 S   OM   _O36    41     1.26294   128.09335    -0.30964
   42    40 S   OS   _O35    42     1.43113   109.56392  -178.59556
   43    42 S   CT   _C7_    43     1.43283   104.42092   -21.22768
   44    43 S   HC   _H3_    44     1.09719   107.72305   -84.24162
   45    43 S   CM   _C6_    45     1.50306   110.95571   152.51248
   46    45 S   HC   _H10    46     1.08924   114.75217   -70.02815
   47    39 S   CT   _C8_    62     1.50269   122.01799   -65.50877
   48    47 S   HC   _H4_    63     1.09686   105.73748    83.78301
   49    45 S   CM   _C5_    47     1.34707   125.11701   124.86918
   50    49 S   CT   _C15    48     1.51651   118.76549   153.75561
   51    50 S   HC   _H6_    49     1.09652   111.37437    18.46907
   52    49 S   CT   _C4_    71     1.50848   123.63881   -19.22294
   53    52 S   HC   _H7_    72     1.09313   111.40865   101.33772
   54    52 S   HC   _H8_    73     1.09398   112.35480   -20.27303
   55    52 S   HC   _H9_    74     1.09485   110.63526  -138.19425
   56    50 S   CT   _C14    50     1.54420   111.42717  -104.21679
   57    56 S   HC   _H17    51     1.10008   108.42451  -154.78036
   58    56 S   HC   _H18    52     1.09777   110.96924   -42.64479
   59    50 S   OH   _O33    69     1.42757   108.42617   135.31894
   60    59 S   HO   _H19    70     0.97217   107.54430  -174.73798
   61    56 S   CT   _C13    53     1.54738   117.17950    84.12906
   62    61 S   HC   _H5_    54     1.09809   106.51255    73.22748
   63    61 S   CM   _C11    55     1.52109   119.99955   -50.97557
   64    61 S   OH   _O34    67     1.43505   108.10820  -173.55013
   65    64 S   HO   _H20    68     0.97270   107.40768   -54.13035
   66    63 S   CT   _C10    56     1.52105   118.19827   -57.59366
   67    66 S   HC   _H13    57     1.09839   107.16702   -76.20416
   68    66 S   HC   _H14    58     1.09255   109.50340    36.62080
   69    63 S   CM   _C12    64     1.34524   118.68047   126.13604
   70    69 S   HC   _H15    65     1.08561   121.59471    -1.98308
   71    69 S   HC   _H16    66     1.08372   122.45898   175.75910
   72    66 S   CT   _C9_    59     1.54870   119.81872   161.21526
   73    72 S   HC   _H11    60     1.09550   108.03226    71.03240
   74    72 S   HC   _H12    61     1.09851   107.41032  -175.66492
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4   9   4
  12  14   7   5   2   1   1  11   6   5   2   1  11   5  11   3
   1   8   5   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    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    72    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    66    72    73    74    47    48  
   41    42    43    44    45    72    47    48  
   42    43    47  
   43    44    45    46    49    72    47    48  
   44    45    46    49    50    66    72    73    74    47    48    52  
   45    46    49    72    47    48  
   46    49    50    51    56    72    47    48    59    52    53    54    55  
   49    50    47    52  
   48    49    63    66    67    68    72    73    74  
   66    72    73    74  
   50    51    56    57    58    61    59    60    52    53    54    55  
   51    56    57    58    61    62    63    64    59    60    52    53    54    55  
   56    57    58    61    59    60    52  
   53    54    55    56    59  
   54    55  
   55  
    0  
   57    58    61    62    63    66    69    64    65    59    60  
   58    61    62    63    64    59  
   61    62    63    64    59  
   60    61  
    0  
   62    63    66    67    68    72    69    70    71    64    65  
   63    66    69    64    65  
   66    67    68    72    73    74    69    70    71    64    65  
   65    66    69  
    0  
   67    68    72    73    74    69    70    71  
   68    72    73    74    69  
   72    73    74    69  
   70    71    72  
   71  
    0  
   73    74  
   74  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   320.000  1.410
   63    66   317.000  1.510
   63    69   549.000  1.340
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    47   268.000  1.529
   47    48   340.000  1.090
   69    70   340.000  1.080
   69    71   340.000  1.080
   64    65   553.000  0.945
   59    60   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
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  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    72    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    72    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    59    90.00000  110.39200
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    61    58.35000  112.70000
   50    59    60    55.00000  108.50000
   56    50    51    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    70.00000  112.02700
   56    61    64    50.00000  109.50000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    63    66    65.00000  117.92700
   61    63    69    70.00000  124.00000
   61    64    65    55.00000  108.50000
   63    61    62    35.00000  109.50000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    72    70.00000  112.02700
   63    69    70    35.00000  120.00000
   63    69    71    35.00000  120.00000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    47    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    47    48    37.50000  110.70000
   74    72    73    33.00000  107.80000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    72    73    37.50000  110.70000
   47    72    74    37.50000  110.70000
   69    63    66    70.00000  124.00000
   71    69    70    35.00000  117.00000
   64    61    62    35.00000  109.50000
   64    61    63    90.00000  110.39200
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    72   0.46850  1.0 1.0
   33    39    47    72   0.08550 -1.0 2.0
   33    39    47    72   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    72   0.09850  1.0 1.0
   40    39    47    72   0.15250 -1.0 2.0
   40    39    47    72  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    72   0.62750  1.0 1.0
   42    43    47    72  -0.30950 -1.0 2.0
   42    43    47    72   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    72   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    72   0.34400  1.0 1.0
   45    43    47    72   0.09450 -1.0 2.0
   45    43    47    72   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    59   0.67800  1.0 1.0
   45    49    50    59   0.47050 -1.0 2.0
   45    49    50    59  -0.62500  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    61   0.34400  1.0 1.0
   49    50    56    61   0.09450 -1.0 2.0
   49    50    56    61   0.11100  1.0 3.0
   49    50    59    60  -0.07800  1.0 1.0
   49    50    59    60  -0.21500 -1.0 2.0
   49    50    59    60  -0.03150  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    61    62   0.15000  1.0 3.0
   50    56    61    63   0.34400  1.0 1.0
   50    56    61    63   0.09450 -1.0 2.0
   50    56    61    63   0.11100  1.0 3.0
   50    56    61    64   0.86500  1.0 1.0
   50    56    61    64  -0.17500 -1.0 2.0
   50    56    61    64   0.20800  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   51    50    59    60   0.19450  1.0 3.0
   56    50    59    60  -0.11600  1.0 1.0
   56    50    59    60  -0.09450 -1.0 2.0
   56    50    59    60   0.21250  1.0 3.0
   56    61    63    66   0.46850  1.0 1.0
   56    61    63    66   0.08550 -1.0 2.0
   56    61    63    66   0.09800  1.0 3.0
   56    61    63    69   0.09850  1.0 1.0
   56    61    63    69   0.15250 -1.0 2.0
   56    61    63    69  -0.50650  1.0 3.0
   56    61    64    65  -0.11600  1.0 1.0
   56    61    64    65  -0.09450 -1.0 2.0
   56    61    64    65   0.21250  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.23400  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.23400  1.0 3.0
   61    63    66    67   0.34800  1.0 3.0
   61    63    66    68   0.34800  1.0 3.0
   61    63    66    72   0.46850  1.0 1.0
   61    63    66    72   0.08550 -1.0 2.0
   61    63    66    72   0.09800  1.0 3.0
   61    63    69    70   7.00000 -1.0 2.0
   61    63    69    71   7.00000 -1.0 2.0
   62    61    63    66   0.34800  1.0 3.0
   62    61    63    69   0.00000  1.0 1.0
   62    61    64    65   0.19450  1.0 3.0
   63    61    64    65  -0.07800  1.0 1.0
   63    61    64    65  -0.21500 -1.0 2.0
   63    61    64    65  -0.03150  1.0 3.0
   63    66    72    73   0.15000  1.0 3.0
   63    66    72    74   0.15000  1.0 3.0
   63    66    72    47   0.34400  1.0 1.0
   63    66    72    47   0.09450 -1.0 2.0
   63    66    72    47   0.11100  1.0 3.0
   66    63    69    70   7.00000 -1.0 2.0
   66    63    69    71   7.00000 -1.0 2.0
   66    72    47    39   0.34400  1.0 1.0
   66    72    47    39   0.09450 -1.0 2.0
   66    72    47    39   0.11100  1.0 3.0
   66    72    47    43   0.56750  1.0 1.0
   66    72    47    43  -0.07550 -1.0 2.0
   66    72    47    43   0.20000  1.0 3.0
   66    72    47    48   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    47   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    47   0.15000  1.0 3.0
   73    72    47    39   0.15000  1.0 3.0
   73    72    47    43   0.15000  1.0 3.0
   73    72    47    48   0.15000  1.0 3.0
   74    72    47    39   0.15000  1.0 3.0
   74    72    47    43   0.15000  1.0 3.0
   74    72    47    48   0.15000  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   69    63    66    67   0.00000  1.0 1.0
   69    63    66    68   0.00000  1.0 1.0
   69    63    66    72   0.09850  1.0 1.0
   69    63    66    72   0.15250 -1.0 2.0
   69    63    66    72  -0.50650  1.0 3.0
   64    61    63    66   0.18000  1.0 1.0
   64    61    63    66   0.16450 -1.0 2.0
   64    61    63    66   0.04450  1.0 3.0
   64    61    63    69   0.67800  1.0 1.0
   64    61    63    69   0.47050 -1.0 2.0
   64    61    63    69  -0.62500  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    61   0.86500  1.0 1.0
   59    50    56    61  -0.17500 -1.0 2.0
   59    50    56    61   0.20800  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    59   0.18000  1.0 1.0
   52    49    50    59   0.16450 -1.0 2.0
   52    49    50    59   0.04450  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
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
   61    66    63    69   1.10000 -1.0 2.0
   70    71    69    63   1.10000 -1.0 2.0
END
