* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    139    218     413
    1     0 S   NP   _N1_     1    28.03451    95.17219   -24.05210
    2     1 S   H    _HN1     2     1.02835    23.76438   152.12677
    3     1 S   H    _H1_     3     1.02776   105.11464  -107.71300
    4     1 S   H    _H2_     4     1.02957    86.15325     0.25411
    5     1 S   CT   _CA1     5     1.50126   130.53988   113.95232
    6     5 S   HC   _HA1     6     1.09574   105.22290    74.62494
    7     5 S   CO3  _C1_     7     1.53793   112.37190   -45.58283
    8     7 S   O2Z  _O11     8     1.26365   114.99792   -43.75250
    9     7 S   O2Z  _O12     9     1.26237   114.93503   135.38034
   10     5 S   CT   _CB1    10     1.53098   107.42544  -167.45076
   11    10 S   HC   HB11    11     1.09826   109.35500   -50.48118
   12    10 S   HC   HB12    12     1.09816   110.41627    66.08321
   13    10 S   CT   _CG1    13     1.53009   112.65679  -171.55482
   14    13 S   HC   HG11    14     1.09596   110.47811   -63.96618
   15    13 S   HC   HG12    15     1.09655   109.93439    55.22959
   16    13 S   C    _CD1    16     1.51835   112.33860   175.61528
   17    16 S   O    _OE1    17     1.22743   123.29991    -0.43160
   18    16 S   N    _N2_    18     1.38542   111.67010   179.50703
   19    18 S   H    _HN2    19     1.01560   119.01333     4.80126
   20    18 S   CT1  _CA2    20     1.45892   122.97280   178.16794
   21    20 S   HC   _HA2    21     1.09716   109.01323    22.28283
   22    20 S   C    _C2_    22     1.52864   106.71127   -94.91683
   23    22 S   O    _O2_    23     1.23002   122.90626   -30.11521
   24    20 S   CT   _CB2    32     1.53322   112.06197   145.47135
   25    24 S   HC   HB21    33     1.09341   109.53155    55.18170
   26    24 S   HC   HB22    34     1.09487   109.70625   173.80894
   27    22 S   N    _N3_    24     1.38466   112.70069   152.52971
   28    27 S   H    _HN3    25     1.01658   120.40981    -1.28085
   29    24 S   S    _SG2    35     1.83079   110.41825   -66.56210
   30    27 S   CT   _CA3    26     1.45364   122.38620   178.77331
   31    30 S   HC   HA31    27     1.09566   107.53516   -62.08528
   32    30 S   HC   HA32    28     1.09571   107.85808    54.21268
   33    29 S   CT   _C9_    36     1.88983   103.13122   168.02033
   34    30 S   CO3  _C3_    29     1.52878   114.43716   176.20130
   35    34 S   O2Z  _O31    30     1.26319   116.10346    -0.26244
   36    34 S   O2Z  _O32    31     1.26457   114.38802   179.79826
   37    33 S   CM   _C8_    37     1.51715   107.74543    46.72596
   38    37 S   HC   _H10    38     1.09103   116.00562   -79.98545
   39    33 S   CT   _C18    70     1.54634   106.69584   -70.33508
   40    39 S   HC   _H22    71     1.09445   112.47947   -60.99392
   41    39 S   HC   _H23    72     1.09470   112.01551   178.02434
   42    39 S   HC   _H24    73     1.09522   112.54670    59.91437
   43    37 S   CMA  _C7_    39     1.34871   126.89562   101.26464
   44    43 S   OM   _O33    40     1.26217   129.20426   178.59236
   45    43 S   CT   _C6_    41     1.52294   119.57442    -1.57334
   46    45 S   HC   _H8_    42     1.10022   108.64047   112.90486
   47    45 S   HC   _H9_    43     1.10120   109.87436  -131.36388
   48    45 S   CT   _C5_    44     1.54657   115.53415   -10.13852
   49    48 S   HC   _H3_    45     1.09785   107.06181   -75.81604
   50    33 S   CT   _C10    46     1.59865   109.78238   167.45749
   51    48 S   CT   _C4_    66     1.53742   109.09599   171.36498
   52    51 S   HC   _H5_    67     1.09313   112.66051   -65.25965
   53    51 S   HC   _H6_    68     1.09332   111.70588   172.63809
   54    51 S   HC   _H7_    69     1.09619   110.10997    54.29631
   55    50 S   CT   _C11    47     1.56039   112.31374    52.42071
   56    55 S   HC   _H11    48     1.09487   111.84842    17.98784
   57    55 S   HC   _H12    49     1.09446   113.35115  -102.00252
   58    55 S   CT   _C12    50     1.52416   106.25677   135.07235
   59    58 S   HC   _H13    51     1.09576   109.97414    82.90231
   60    58 S   HC   _H14    52     1.09492   111.50226  -157.23116
   61    58 S   CT   _C13    53     1.52860   103.12940   -36.49903
   62    61 S   HC   _H4_    54     1.09875   107.75274   -70.50229
   63    50 S   CT   _C14    55     1.57018   112.16608   168.15726
   64    63 S   HC   _H15    56     1.09529   111.59233   133.62203
   65    63 S   HC   _H16    57     1.09421   113.01305    15.22472
   66    61 S   CM   _C15    58     1.51708   117.69341   168.50500
   67    66 S   CM   _C16    59     1.34317   124.45007     1.06826
   68    67 S   HC   _H17    60     1.08562   121.17306   179.20895
   69    67 S   HC   _H18    61     1.08364   122.48739    -0.61960
   70    66 S   CT   _C17    62     1.50669   115.58859   179.30846
   71    70 S   HC   _H19    63     1.09496   110.28945   -54.34532
   72    70 S   HC   _H20    64     1.09441   110.63917    65.85659
   73    70 S   HC   _H21    65     1.09536   112.21366  -174.08944
  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  12   5   4   3
  21   2   1   1  14   5   8   3   2   1   8   4  11   5   4  14
   7  16   5   2   1   1  11   6   5  10   5   4  12   6   5   2
   1   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    50    55    63    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    48    49    50    55    56    57    58    61    63    64    65    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    48    50    55    63    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    48    50    55    63  
   41    42    50  
   42    50  
   50  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    55    63    51    52    53    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    55    56    57    58    61    63    64    65    51    52    53    54  
   50    55    63    51    52    53    54  
   55    56    57    58    59    60    61    62    63    64    65    66    51    52    53    54  
   52    53    54    55    63  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    63    64    65    66  
   57    58    59    60    61    63  
   58    59    60    61    63  
   59    60    61    62    63    64    65    66    67    70  
   60    61    62    63    66  
   61    62    63    66  
   62    63    64    65    66    67    68    69    70    71    72    73  
   63    64    65    66    67    70  
   64    65    66    67    70  
   65    66  
   66  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   268.000  1.529
   50    55   268.000  1.529
   50    63   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   66    67   549.000  1.340
   66    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    48    58.35000  112.70000
   33    50    55    58.35000  112.70000
   33    50    63    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    45.00000  110.52000
   43    45    48    70.00000  112.02700
   45    43    44    85.00000  112.85300
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    50    63    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    58.35000  112.70000
   50    63    61    58.35000  112.70000
   50    63    64    37.50000  110.70000
   50    63    65    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    66    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    66    67    70.00000  124.00000
   61    66    70    65.00000  117.92700
   63    50    55    58.35000  112.70000
   63    61    62    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    70.00000  112.02700
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   69    67    68    35.00000  117.00000
   70    66    67    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    55   0.44750  1.0 1.0
   29    33    50    55  -0.17800 -1.0 2.0
   29    33    50    55   0.20200  1.0 3.0
   29    33    50    63   0.44750  1.0 1.0
   29    33    50    63  -0.17800 -1.0 2.0
   29    33    50    63   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   33    50    55    56   0.15000  1.0 3.0
   33    50    55    57   0.15000  1.0 3.0
   33    50    55    58   0.56750  1.0 1.0
   33    50    55    58  -0.07550 -1.0 2.0
   33    50    55    58   0.20000  1.0 3.0
   33    50    63    61   0.56750  1.0 1.0
   33    50    63    61  -0.07550 -1.0 2.0
   33    50    63    61   0.20000  1.0 3.0
   33    50    63    64   0.15000  1.0 3.0
   33    50    63    65   0.15000  1.0 3.0
   37    33    50    48   0.34400  1.0 1.0
   37    33    50    48   0.09450 -1.0 2.0
   37    33    50    48   0.11100  1.0 3.0
   37    33    50    55   0.34400  1.0 1.0
   37    33    50    55   0.09450 -1.0 2.0
   37    33    50    55   0.11100  1.0 3.0
   37    33    50    63   0.34400  1.0 1.0
   37    33    50    63   0.09450 -1.0 2.0
   37    33    50    63   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    47   0.00000  1.0 1.0
   37    43   -45    48   0.09850  1.0 1.0
   37    43   -45    48   0.15250 -1.0 2.0
   37    43   -45    48  -0.50650  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.34400  1.0 1.0
   43    45    48    50   0.09450 -1.0 2.0
   43    45    48    50   0.11100  1.0 3.0
   43    45    48    51   0.34400  1.0 1.0
   43    45    48    51   0.09450 -1.0 2.0
   43    45    48    51   0.11100  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.09700  1.0 1.0
   44    43    45    48   0.15600 -1.0 2.0
   44    43    45    48  -0.50800  1.0 3.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    55   0.56750  1.0 1.0
   45    48    50    55  -0.07550 -1.0 2.0
   45    48    50    55   0.20000  1.0 3.0
   45    48    50    63   0.56750  1.0 1.0
   45    48    50    63  -0.07550 -1.0 2.0
   45    48    50    63   0.20000  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48    51    54   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    50    55    56   0.15000  1.0 3.0
   48    50    55    57   0.15000  1.0 3.0
   48    50    55    58   0.56750  1.0 1.0
   48    50    55    58  -0.07550 -1.0 2.0
   48    50    55    58   0.20000  1.0 3.0
   48    50    63    61   0.56750  1.0 1.0
   48    50    63    61  -0.07550 -1.0 2.0
   48    50    63    61   0.20000  1.0 3.0
   48    50    63    64   0.15000  1.0 3.0
   48    50    63    65   0.15000  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    50    63   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    43   0.09850  1.0 1.0
   50    33   -37    43   0.15250 -1.0 2.0
   50    33   -37    43  -0.50650  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    42   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   50    55    58    59   0.15000  1.0 3.0
   50    55    58    60   0.15000  1.0 3.0
   50    55   -58    61   0.56750  1.0 1.0
   50    55   -58    61  -0.07550 -1.0 2.0
   50    55   -58    61   0.20000  1.0 3.0
   55    50   -63    61   0.56750  1.0 1.0
   55    50   -63    61  -0.07550 -1.0 2.0
   55    50   -63    61   0.20000  1.0 3.0
   55    50    63    64   0.15000  1.0 3.0
   55    50    63    65   0.15000  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58   -61    63   0.56750  1.0 1.0
   55    58   -61    63  -0.07550 -1.0 2.0
   55    58   -61    63   0.20000  1.0 3.0
   55    58    61    66   0.34400  1.0 1.0
   55    58    61    66   0.09450 -1.0 2.0
   55    58    61    66   0.11100  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61   -63    50   0.56750  1.0 1.0
   58    61   -63    50  -0.07550 -1.0 2.0
   58    61   -63    50   0.20000  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.15000  1.0 3.0
   58    61    66    67   0.09850  1.0 1.0
   58    61    66    67   0.15250 -1.0 2.0
   58    61    66    67  -0.50650  1.0 3.0
   58    61    66    70   0.46850  1.0 1.0
   58    61    66    70   0.08550 -1.0 2.0
   58    61    66    70   0.09800  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    66   0.15000  1.0 3.0
   61    66    67    68   7.00000 -1.0 2.0
   61    66    67    69   7.00000 -1.0 2.0
   61    66    70    71   0.34800  1.0 3.0
   61    66    70    72   0.34800  1.0 3.0
   61    66    70    73   0.34800  1.0 3.0
   62    61    63    50   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    70   0.34800  1.0 3.0
   63    50    55    56   0.15000  1.0 3.0
   63    50    55    57   0.15000  1.0 3.0
   63    50   -55    58   0.56750  1.0 1.0
   63    50   -55    58  -0.07550 -1.0 2.0
   63    50   -55    58   0.20000  1.0 3.0
   63    61    66    67   0.09850  1.0 1.0
   63    61    66    67   0.15250 -1.0 2.0
   63    61    66    67  -0.50650  1.0 3.0
   63    61    66    70   0.46850  1.0 1.0
   63    61    66    70   0.08550 -1.0 2.0
   63    61    66    70   0.09800  1.0 3.0
   66    61    63    50   0.34400  1.0 1.0
   66    61    63    50   0.09450 -1.0 2.0
   66    61    63    50   0.11100  1.0 3.0
   66    61    63    64   0.15000  1.0 3.0
   66    61    63    65   0.15000  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   70    66    67    68   7.00000 -1.0 2.0
   70    66    67    69   7.00000 -1.0 2.0
   51    48    50    33   0.56750  1.0 1.0
   51    48    50    33  -0.07550 -1.0 2.0
   51    48    50    33   0.20000  1.0 3.0
   51    48    50    55   0.56750  1.0 1.0
   51    48    50    55  -0.07550 -1.0 2.0
   51    48    50    55   0.20000  1.0 3.0
   51    48    50    63   0.56750  1.0 1.0
   51    48    50    63  -0.07550 -1.0 2.0
   51    48    50    63   0.20000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    48   0.56750  1.0 1.0
   39    33    50    48  -0.07550 -1.0 2.0
   39    33    50    48   0.20000  1.0 3.0
   39    33    50    55   0.56750  1.0 1.0
   39    33    50    55  -0.07550 -1.0 2.0
   39    33    50    55   0.20000  1.0 3.0
   39    33    50    63   0.56750  1.0 1.0
   39    33    50    63  -0.07550 -1.0 2.0
   39    33    50    63   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   61    70    66    67  15.00000 -1.0 2.0
   68    69    67    66  15.00000 -1.0 2.0
END
