* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    228     425
    1     0 S   NP   _N1_     1    28.77132    95.15619   -22.06654
    2     1 S   H    _HN1     2     1.02778    95.76416   -86.99354
    3     1 S   H    _H1_     3     1.02954    81.57508    20.79534
    4     1 S   H    _H2_     4     1.02829    34.00221   159.23663
    5     1 S   CT   _CA1     5     1.50135   142.66791   133.52401
    6     5 S   HC   _HA1     6     1.09565   105.20177    74.24976
    7     5 S   CO3  _C1_     7     1.53796   112.54115   -46.00091
    8     7 S   O2Z  _O11     8     1.26381   114.99756   -38.20044
    9     7 S   O2Z  _O12     9     1.26237   115.03520   141.14329
   10     5 S   CT   _CB1    10     1.53102   107.42356  -167.60879
   11    10 S   HC   HB11    11     1.09828   109.45058   -48.15482
   12    10 S   HC   HB12    12     1.09819   110.37503    68.47352
   13    10 S   CT   _CG1    13     1.52987   112.66067  -169.11432
   14    13 S   HC   HG11    14     1.09565   110.62348   -64.33365
   15    13 S   HC   HG12    15     1.09665   109.85961    54.89939
   16    13 S   C    _CD1    16     1.51795   112.31521   175.32567
   17    16 S   O    _OE1    17     1.22716   123.30916     3.15716
   18    16 S   N    _N2_    18     1.38620   111.57414  -177.04176
   19    18 S   H    _HN2    19     1.01586   118.95808     1.73911
   20    18 S   CT1  _CA2    20     1.46284   123.46953   179.45824
   21    20 S   HC   _HA2    21     1.09736   109.40402    -5.66649
   22    20 S   C    _C2_    22     1.53410   108.44882  -121.18863
   23    22 S   O    _O2_    23     1.23030   122.38731  -148.08688
   24    20 S   CT   _CB2    32     1.53369   111.26487   116.41149
   25    24 S   HC   HB21    33     1.09532   109.53218    55.89558
   26    24 S   HC   HB22    34     1.09458   110.44175   174.72526
   27    22 S   N    _N3_    24     1.38368   113.49582    39.41736
   28    27 S   H    _HN3    25     1.01628   119.49919    -3.53563
   29    24 S   S    _SG2    35     1.82850   110.94784   -65.99984
   30    27 S   CT   _CA3    26     1.45279   123.15534   176.97515
   31    30 S   HC   HA31    27     1.09550   107.52627   -63.94030
   32    30 S   HC   HA32    28     1.09558   107.95390    52.47427
   33    29 S   CT   _C10    36     1.86034   100.81526   148.83663
   34    33 S   HC   _H5_    37     1.08984   103.09511   -36.08814
   35    30 S   CO3  _C3_    29     1.52938   114.12244   174.46130
   36    35 S   O2Z  _O31    30     1.26370   116.06804    -0.70748
   37    35 S   O2Z  _O32    31     1.26431   114.40823   179.34778
   38    33 S   CT   _C9_    38     1.55640   110.36073  -150.89809
   39    38 S   HC   _H4_    39     1.08576   109.11671  -161.63866
   40    33 S   CT   _C11    64     1.56646   114.00953    79.42822
   41    38 S   CT   _C8_    40     1.53603   114.32689    76.64425
   42    41 S   HC   _H3_    41     1.09633   111.91259     6.75581
   43    40 S   CT   _C15    65     1.53952   112.62097    56.59704
   44    43 S   HC   _H18    66     1.09436   112.00746   -61.20294
   45    43 S   HC   _H19    67     1.09686   110.65486  -178.34412
   46    43 S   HC   _H20    68     1.09372   111.91310    61.47616
   47    40 S   OH   _O34    69     1.43681   107.63111   -61.62679
   48    47 S   HO   _H21    70     0.97261   108.27570   175.91894
   49    41 S   CM   _C17    42     1.49066   100.81999  -110.79055
   50    41 S   CT   _C7_    49     1.54720   112.90468   130.12702
   51    50 S   HC   _H12    50     1.09850   108.56786   160.24105
   52    50 S   HC   _H13    51     1.09720   110.43391    44.53234
   53    49 S   CO4  _C16    43     1.47268   110.27195   -13.66566
   54    53 S   O    _O36    44     1.21765   126.97135  -172.37365
   55    49 S   CM   _C18    46     1.33585   127.76971   163.93109
   56    55 S   HC   _H22    47     1.08516   120.70337     1.39269
   57    55 S   HC   _H23    48     1.08501   121.95717  -178.57399
   58    50 S   CT   _C6_    52     1.53931   114.76468   -80.82286
   59    58 S   HC   _H10    53     1.09750   108.24078  -168.97904
   60    58 S   HC   _H11    54     1.09760   108.87363   -54.37460
   61    38 S   OS   _O35    45     1.44115   112.61158   -46.53295
   62    58 S   C3T  _C5_    55     1.50972   114.94409    70.13558
   63    62 S   C3T  _C14    56     1.52519   117.48108   -95.91903
   64    63 S   HC   _H6_    57     1.08131   119.86419    -0.48739
   65    62 S   CT   _C4_    72     1.50149   117.02652    67.96822
   66    65 S   HC   _H7_    73     1.09453   112.26083   171.57554
   67    65 S   HC   _H8_    74     1.09523   110.19248    52.03928
   68    65 S   HC   _H9_    75     1.09335   111.26585   -67.58647
   69    63 S   CT   _C13    58     1.49491   124.43240   156.74725
   70    69 S   HC   _H16    59     1.09646   108.72110   169.94167
   71    69 S   HC   _H17    60     1.09743   109.47903    55.04625
   72    62 S   O3T  _O33    71     1.44057   113.80591  -160.53007
   73    69 S   CT   _C12    61     1.53952   115.20371   -66.74390
   74    73 S   HC   _H14    62     1.09436   110.06652    59.19784
   75    73 S   HC   _H15    63     1.10023   104.98792   171.60691
  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
  20   8   2   1   1  16   7  15  15   8   9   4   3   2   5   1
  10  12   5   4   5   2   3   1   1  11   5   4   1  11  12   6
   5   3   2   1   6   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    73    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    53    61    50    69    73    74    75    40    43    44    45    46    47    48  
   38    39    41    61    73    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    53    54    61    55    50    51    52    58    73    40    43    47  
   41    42    49    53    61    50    40  
   43    44    45    46    47    48    41    61    63    69    70    71    73    74    75  
   42    49    53    54    61    55    56    57    50    51    52    58    59    60    62  
   49    53    61    55    50    51    52    58  
   44    45    46    47    48    69    73    74    75  
   45    46    47    73  
   46    47    73  
   47    73  
   48    69    73    74    75  
   73  
   53    54    61    55    56    57    50    51    52    58  
   51    52    58    59    60    62    63    72    65    53    55    61  
   52    58    59    60    62  
   58    59    60    62  
   54    61    55    56    57  
   61    55  
   56    57    61  
   57  
    0  
   59    60    62    63    64    69    72    65    66    67    68  
   60    62    63    72    65  
   62    63    72    65  
    0  
   63    64    69    70    71    73    72    65    66    67    68  
   64    69    70    71    73    74    75    72    65    66    67    68  
   69    70    71    73    72    65  
   66    67    68    69    72  
   67    68    72  
   68    72  
   72  
   70    71    73    74    75    72  
   71    73    74    75    72  
   73    74    75    72  
   73  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    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    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    53   320.000  1.462
   49    55   549.000  1.340
   53    54   570.000  1.229
   53    61   214.000  1.327
   55    56   340.000  1.080
   55    57   340.000  1.080
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   275.000  1.510
   62    63   260.000  1.509
   62    72   335.000  1.432
   62    65   275.000  1.510
   63    64   340.000  1.088
   63    69   275.000  1.510
   63    72   335.000  1.432
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    73    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    53    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    53    65.00000  116.34900
   41    49    55    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    58    58.35000  112.70000
   49    41    42    35.00000  109.50000
   49    53    54    80.00000  123.72100
   49    53    61    90.00000  111.29400
   49    55    56    35.00000  120.00000
   49    55    57    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    53    54    83.00000  123.40000
   55    49    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    62    70.00000  112.37300
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    62    63    60.00000  120.94000
   58    62    72    80.00000  116.47100
   58    62    65    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    45.00000  109.38400
   62    58    60    45.00000  109.38400
   62    63    64    37.50000  117.20000
   62    63    69    60.00000  120.94000
   62    63    72    15.00000   60.43100
   62    72    63    15.00000   59.14900
   62    65    66    45.00000  109.38400
   62    65    67    45.00000  109.38400
   62    65    68    45.00000  109.38400
   63    69    70    45.00000  109.38400
   63    69    71    45.00000  109.38400
   63    69    73    70.00000  112.37300
   69    63    64    40.00000  115.04500
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    40    43    58.35000  112.70000
   73    40    47    50.00000  109.50000
   75    73    74    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    73    75    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   72    62    63    15.00000   60.43100
   72    63    64    50.00000  114.27700
   72    63    69    80.00000  116.47100
   65    62    63    60.00000  120.94000
   65    62    72    80.00000  116.47100
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    53  -0.25900  1.0 1.0
   33    38    61    53  -0.47000 -1.0 2.0
   33    38    61    53   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    53   0.09700  1.0 1.0
   38    41   -49    53   0.15600 -1.0 2.0
   38    41   -49    53  -0.50800  1.0 3.0
   38    41    49    55   0.09850  1.0 1.0
   38    41    49    55   0.15250 -1.0 2.0
   38    41    49    55  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    52   0.15000  1.0 3.0
   38    41    50    58   0.56750  1.0 1.0
   38    41    50    58  -0.07550 -1.0 2.0
   38    41    50    58   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    53   0.08050  1.0 3.0
   41    38   -61    53  -0.25900  1.0 1.0
   41    38   -61    53  -0.47000 -1.0 2.0
   41    38   -61    53   0.11750  1.0 3.0
   41    49    53    54  -0.64400  1.0 1.0
   41    49    53    54   0.26850 -1.0 2.0
   41    49   -53    61  -0.15000  1.0 1.0
   41    49   -53    61   0.89550 -1.0 2.0
   41    49   -53    61  -0.06900  1.0 3.0
   41    49    55    56   7.00000 -1.0 2.0
   41    49    55    57   7.00000 -1.0 2.0
   41    50    58    59   0.15000  1.0 3.0
   41    50    58    60   0.15000  1.0 3.0
   41    50    58    62   0.47050  1.0 1.0
   41    50    58    62   0.03900 -1.0 2.0
   41    50    58    62   0.20100  1.0 3.0
   42    41    49    53   0.15000  1.0 3.0
   42    41    49    55   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    52   0.15000  1.0 3.0
   42    41    50    58   0.15000  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    52   0.15000  1.0 3.0
   49    41    50    58   0.34400  1.0 1.0
   49    41    50    58   0.09450 -1.0 2.0
   49    41    50    58   0.11100  1.0 3.0
   49    53   -61    38   2.00000 -1.0 2.0
   53    49    55    56   7.00000 -1.0 2.0
   53    49    55    57   7.00000 -1.0 2.0
   54    53    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   55    49    53    54   1.00000 -1.0 2.0
   55    49    53    61  -0.56150  1.0 1.0
   55    49    53    61   2.19150 -1.0 2.0
   50    41    49    53   0.09700  1.0 1.0
   50    41    49    53   0.15600 -1.0 2.0
   50    41    49    53  -0.50800  1.0 3.0
   50    41    49    55   0.09850  1.0 1.0
   50    41    49    55   0.15250 -1.0 2.0
   50    41    49    55  -0.50650  1.0 3.0
   50    58    62    63   0.07850  1.0 1.0
   50    58    62    63  -0.03950 -1.0 2.0
   50    58    62    63   0.67350  1.0 3.0
   50    58    62    72   0.02550  1.0 1.0
   50    58    62    72  -0.02600 -1.0 2.0
   50    58    62    72   1.20400  1.0 3.0
   50    58    62    65   0.56750  1.0 1.0
   50    58    62    65  -0.07550 -1.0 2.0
   50    58    62    65   0.20000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    62   0.15000  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    60   0.15000  1.0 3.0
   52    50    58    62   0.15000  1.0 3.0
   58    62    63    64   0.15000  1.0 3.0
   58    62    63    69   0.56750  1.0 1.0
   58    62    63    69  -0.07550 -1.0 2.0
   58    62    63    69   0.20000  1.0 3.0
   58    62   -63    72   0.02550  1.0 1.0
   58    62   -63    72  -0.02600 -1.0 2.0
   58    62   -63    72   1.20400  1.0 3.0
   58    62   -72    63   0.06250  1.0 1.0
   58    62   -72    63  -0.01100 -1.0 2.0
   58    62   -72    63   0.28050  1.0 3.0
   58    62    65    66   0.15000  1.0 3.0
   58    62    65    67   0.15000  1.0 3.0
   58    62    65    68   0.15000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    72   0.23400  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    72   0.23400  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   62    63    69    70   0.15000  1.0 3.0
   62    63    69    71   0.15000  1.0 3.0
   62    63    69    73   0.07850  1.0 1.0
   62    63    69    73  -0.03950 -1.0 2.0
   62    63    69    73   0.67350  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    69    73    74   0.15000  1.0 3.0
   63    69    73    75   0.15000  1.0 3.0
   63    69    73    40   0.47050  1.0 1.0
   63    69    73    40   0.03900 -1.0 2.0
   63    69    73    40   0.20100  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    73   0.15000  1.0 3.0
   64    63   -72    62   0.36800  1.0 3.0
   69    63   -72    62   0.06250  1.0 1.0
   69    63   -72    62  -0.01100 -1.0 2.0
   69    63   -72    62   0.28050  1.0 3.0
   69    73    40    33   0.56750  1.0 1.0
   69    73    40    33  -0.07550 -1.0 2.0
   69    73    40    33   0.20000  1.0 3.0
   69    73    40    43   0.56750  1.0 1.0
   69    73    40    43  -0.07550 -1.0 2.0
   69    73    40    43   0.20000  1.0 3.0
   69    73    40    47   0.86500  1.0 1.0
   69    73    40    47  -0.17500 -1.0 2.0
   69    73    40    47   0.20800  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    40   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    40   0.15000  1.0 3.0
   73    40    43    44   0.15000  1.0 3.0
   73    40    43    45   0.15000  1.0 3.0
   73    40    43    46   0.15000  1.0 3.0
   73    40    47    48  -0.11600  1.0 1.0
   73    40    47    48  -0.09450 -1.0 2.0
   73    40    47    48   0.21250  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    43   0.15000  1.0 3.0
   74    73    40    47   0.23400  1.0 3.0
   75    73    40    33   0.15000  1.0 3.0
   75    73    40    43   0.15000  1.0 3.0
   75    73    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   72    62   -63    64   0.23400  1.0 3.0
   72    62   -63    69   0.02550  1.0 1.0
   72    62   -63    69  -0.02600 -1.0 2.0
   72    62   -63    69   1.20400  1.0 3.0
   72    62    65    66   0.23400  1.0 3.0
   72    62    65    67   0.23400  1.0 3.0
   72    62    65    68   0.23400  1.0 3.0
   72    63    69    70   0.23400  1.0 3.0
   72    63    69    71   0.23400  1.0 3.0
   72    63    69    73   0.02550  1.0 1.0
   72    63    69    73  -0.02600 -1.0 2.0
   72    63    69    73   1.20400  1.0 3.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.56750  1.0 1.0
   65    62    63    69  -0.07550 -1.0 2.0
   65    62    63    69   0.20000  1.0 3.0
   65    62   -63    72   0.02550  1.0 1.0
   65    62   -63    72  -0.02600 -1.0 2.0
   65    62   -63    72   1.20400  1.0 3.0
   65    62   -72    63   0.06250  1.0 1.0
   65    62   -72    63  -0.01100 -1.0 2.0
   65    62   -72    63   0.28050  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
   41    53    49    55   1.10000 -1.0 2.0
   49    61    53    54  10.50000 -1.0 2.0
   56    57    55    49   1.10000 -1.0 2.0
END
