* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    129    211     384
    1     0 S   NP   _N1_     1    28.96912    95.14264   -25.23198
    2     1 S   H    _HN1     2     1.02795   117.18262  -103.78173
    3     1 S   H    _H1_     3     1.02945    80.19336     1.93816
    4     1 S   H    _H2_     4     1.02825    26.91534  -179.38547
    5     1 S   CT   _CA1     5     1.50128   122.61031   109.96536
    6     5 S   HC   _HA1     6     1.09572   105.16122    86.48567
    7     5 S   CO3  _C1_     7     1.53760   112.46596   -33.74856
    8     7 S   O2Z  _O11     8     1.26378   115.00174   -42.51583
    9     7 S   O2Z  _O12     9     1.26230   114.94103   136.49632
   10     5 S   CT   _CB1    10     1.53051   107.39974  -155.52217
   11    10 S   HC   HB11    11     1.09844   109.33778   -49.13762
   12    10 S   HC   HB12    12     1.09810   110.47387    67.45088
   13    10 S   CT   _CG1    13     1.53031   112.65479  -170.05082
   14    13 S   HC   HG11    14     1.09564   110.78468   -67.67960
   15    13 S   HC   HG12    15     1.09666   109.66869    51.58477
   16    13 S   C    _CD1    16     1.51808   111.85576   172.11967
   17    16 S   O    _OE1    17     1.22769   123.12144    14.85481
   18    16 S   N    _N2_    18     1.38622   111.91862  -165.23776
   19    18 S   H    _HN2    19     1.01592   119.05467     0.65252
   20    18 S   CT1  _CA2    20     1.46231   123.36097   176.32230
   21    20 S   HC   _HA2    21     1.09741   109.24897     8.54564
   22    20 S   C    _C2_    22     1.53713   109.11018  -107.00520
   23    22 S   O    _O2_    23     1.23090   122.16977  -150.70439
   24    20 S   CT   _CB2    32     1.53428   111.52992   130.49106
   25    24 S   HC   HB21    33     1.09437   109.57018    57.13190
   26    24 S   HC   HB22    34     1.09427   109.71527   175.90418
   27    22 S   N    _N3_    24     1.38291   113.97357    36.84797
   28    27 S   H    _HN3    25     1.01529   119.63418    -3.31387
   29    24 S   S    _SG2    35     1.83281   111.08470   -64.55350
   30    27 S   CT   _CA3    26     1.45271   123.29984   177.22216
   31    30 S   HC   HA31    27     1.09547   107.53096   -64.62312
   32    30 S   HC   HA32    28     1.09556   107.98443    51.84037
   33    29 S   CT   _C21    36     1.89216   101.60235   171.45054
   34    30 S   CO3  _C3_    29     1.52979   114.02499   173.84805
   35    34 S   O2Z  _O31    30     1.26387   116.08918     0.32082
   36    34 S   O2Z  _O32    31     1.26425   114.41412  -179.63416
   37    33 S   CO4  _C17    37     1.52470   105.13482    57.32073
   38    37 S   O    _O22    38     1.22740   124.55255  -101.04974
   39    33 S   CO3  _C19    71     1.55614   102.41150   -64.74406
   40    39 S   O2Z  _O20    72     1.26242   116.95187   121.88256
   41    39 S   O2Z  _O24    73     1.26797   115.66223   -59.92647
   42    37 S   CA   _C10    39     1.48522   117.32511    74.94944
   43    42 S   CA   _C9_    40     1.39732   119.76147    23.57099
   44    43 S   CA   _C5_    41     1.40325   119.93466  -179.18171
   45    44 S   HA   _H29    42     1.08745   121.11163  -179.77186
   46    43 S   CO4  _C16    50     1.48139   121.69246     2.83718
   47    46 S   O    _O21    51     1.23096   119.36740   171.73930
   48    44 S   CA   _C4_    43     1.39401   120.40466     0.06853
   49    48 S   HA   _H28    44     1.08630   120.02573   179.91844
   50    33 S   CT   _C20    52     1.54949   108.95769   178.17308
   51    50 S   HC   _H34    53     1.09415   106.57293    32.76700
   52    48 S   CA   _C6_    45     1.39097   119.91631    -0.30774
   53    52 S   HA   _H30    46     1.08674   119.73016  -179.91153
   54    50 S   CA   _C12    54     1.53908   115.61908   152.49035
   55    42 S   CA   _C14    47     1.40471   121.11475  -155.94568
   56    54 S   CA   _C11    55     1.41652   122.60340  -112.27382
   57    55 S   OH   _O25    48     1.36947   123.41105    -0.23821
   58    57 S   HO   _H38    49     0.97417   108.83106    -4.72957
   59    56 S   CA   _C7_    56     1.40825   120.90017  -178.44884
   60    59 S   HA   _H31    57     1.08878   120.22737  -179.22116
   61    56 S   CO4  _C18    68     1.48453   123.42922     2.33992
   62    61 S   O    _O23    69     1.22694   122.07353  -164.04533
   63    61 S   HC   _H33    70     1.09784   118.54724    16.52684
   64    59 S   CA   _C13    58     1.39605   121.17204     0.11869
   65    64 S   CA   _C8_    59     1.39252   118.69899    -0.98039
   66    65 S   HA   _H32    60     1.08752   119.51341  -179.06959
   67    64 S   CT   _C22    64     1.49866   120.57586  -178.18512
   68    67 S   HC   _H35    65     1.09434   110.00811    87.67386
   69    67 S   HC   _H36    66     1.09513   110.96055  -151.84110
   70    67 S   HC   _H37    67     1.09512   110.90891   -32.83689
   71    54 S   CA   _C15    61     1.41089   120.83584    68.99209
   72    71 S   OH   _O26    62     1.36921   119.84810    -0.39466
   73    72 S   HO   _H39    63     0.97224   109.30854  -176.73973
  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  11   5   4   3
  15   2   1   1  14   5   7   2   1  12  12   9   4   8   3   5
   3   8   3   4   2  12   2  10   1   1  12   4   4   1   1   8
   8   3   4   2   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    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    42    46    50    51    54    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    55    46    47    50    51    54    56    71    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    52    55    57    46    50    51    54    39    40    41  
   42    43    55    50    39  
   40    41    42    46    50    51    54  
   41    50  
   50  
   43    44    45    48    52    53    55    57    58    46    47    50  
   44    45    48    49    52    55    57    46    47    50    51    54  
   45    48    49    52    53    55    46    47    50  
   48    49    52    46  
   47    50    51    54    56    71    48    55  
   50    51    54  
   49    52    53    55    57  
   52    53    55  
   51    54    56    59    65    71    72    61  
   54    56    71  
   53    55    57    58  
   55    57  
   56    59    60    64    65    66    71    72    73    61    62    63  
   57    58  
   59    60    64    65    71    72    67    61    62    63  
   58  
    0  
   60    64    65    66    71    67    68    69    70    61    62    63  
   64    65    67    61  
   62    63    64    71  
   63  
    0  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   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   0.067500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   63   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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  1.522
   33    50   268.000  1.529
   33    39   317.000  1.522
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    43   469.000  1.400
   42    55   469.000  1.400
   43    44   469.000  1.400
   43    46   310.000  1.470
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    57   450.000  1.364
   57    58   553.000  0.945
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    54   317.000  1.510
   54    56   469.000  1.400
   54    71   469.000  1.400
   56    59   469.000  1.400
   56    61   310.000  1.470
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   61    62   570.000  1.229
   61    63   340.000  1.090
   39    40   656.000  1.250
   39    41   656.000  1.250
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  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    70.00000  116.78000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    54    70.00000  112.17500
   33    39    40    70.00000  117.00000
   33    39    41    70.00000  117.00000
   37    42    43    60.00000  119.52600
   37    42    55    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  119.52600
   42    55    52    63.00000  120.00000
   42    55    57    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    75.00000  123.78400
   43    46    50    65.00000  115.47100
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    57    70.00000  120.00000
   55    42    43    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    57    58    35.00000  113.00000
   46    43    44    60.00000  119.52600
   46    50    51    35.00000  109.50000
   46    50    54    70.00000  110.93000
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    54    56    70.00000  120.00000
   50    54    71    70.00000  120.00000
   54    50    51    35.00000  109.50000
   54    56    59    63.00000  120.00000
   54    56    61    60.00000  119.52600
   54    71    65    63.00000  120.00000
   54    71    72    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    64    63.00000  120.00000
   56    61    62    75.00000  123.78400
   56    61    63    35.00000  115.00000
   59    64    65    63.00000  120.00000
   59    64    67    70.00000  120.00000
   64    59    60    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    70.00000  120.00000
   71    54    56    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    64    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   61    56    59    60.00000  119.52600
   63    61    62    35.00000  123.00000
   39    33    37    70.00000  107.85200
   39    33    50    70.00000  109.69300
   41    39    40    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   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   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.30150 -1.0 2.0
   33    37    42    43   2.26350  1.0 1.0
   33    37    42    43   0.76750 -1.0 2.0
   33    37    42    43   0.22500  1.0 3.0
   33    37    42    55   2.26350  1.0 1.0
   33    37    42    55   0.76750 -1.0 2.0
   33    37    42    55   0.22500  1.0 3.0
   33    50    54    56   0.04150 -1.0 2.0
   33    50    54    71   0.04150 -1.0 2.0
   37    33    50    46   0.11950  1.0 1.0
   37    33    50    46   0.20300 -1.0 2.0
   37    33    50    46  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    54   0.56750  1.0 1.0
   37    33    50    54  -0.07550 -1.0 2.0
   37    33    50    54   0.20000  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    41   0.30150 -1.0 2.0
   37    42    43    44   3.62500 -1.0 2.0
   37    42   -43    46   3.62500 -1.0 2.0
   37    42    55    52   3.62500 -1.0 2.0
   37    42    55    57   3.62500 -1.0 2.0
   38    37    42    43   1.05000 -1.0 2.0
   38    37    42    55   1.05000 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    47   1.05000 -1.0 2.0
   42    43    46    50   2.26350  1.0 1.0
   42    43    46    50   0.76750 -1.0 2.0
   42    43    46    50   0.22500  1.0 3.0
   42    55    57    58   0.84100 -1.0 2.0
   43    42    55    52   3.62500 -1.0 2.0
   43    42    55    57   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44   -48    52   3.62500 -1.0 2.0
   43    46   -50    33   0.05850 -1.0 2.0
   43    46   -50    33   0.17250  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    54   0.65300  1.0 1.0
   43    46    50    54  -0.03850 -1.0 2.0
   43    46    50    54   0.33900  1.0 3.0
   44    43    46    47   1.05000 -1.0 2.0
   44    43    46    50   2.26350  1.0 1.0
   44    43    46    50   0.76750 -1.0 2.0
   44    43    46    50   0.22500  1.0 3.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52   -55    42   3.62500 -1.0 2.0
   48    52    55    57   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55    57    58   0.84100 -1.0 2.0
   53    52    55    42   3.62500 -1.0 2.0
   53    52    55    57   3.62500 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    46   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
   46    50    54    56   0.04300 -1.0 2.0
   46    50    54    71   0.04300 -1.0 2.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    54   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    42   0.05850 -1.0 2.0
   50    33   -37    42   0.17250  1.0 3.0
   50    33    39    40   0.41150 -1.0 2.0
   50    33    39    41   0.41150 -1.0 2.0
   50    54    56    59   3.62500 -1.0 2.0
   50    54    56    61   3.62500 -1.0 2.0
   50    54    71    65   3.62500 -1.0 2.0
   50    54    71    72   3.62500 -1.0 2.0
   51    50    54    56   0.00000  1.0 1.0
   51    50    54    71   0.00000  1.0 1.0
   54    56    59    60   3.62500 -1.0 2.0
   54    56    59    64   3.62500 -1.0 2.0
   54    56    61    62   1.05000 -1.0 2.0
   54    56    61    63   0.56600 -1.0 2.0
   54    71    72    73   0.84100 -1.0 2.0
   56    54    71    65   3.62500 -1.0 2.0
   56    54    71    72   3.62500 -1.0 2.0
   56    59   -64    65   3.62500 -1.0 2.0
   56    59    64    67   3.62500 -1.0 2.0
   59    56    61    62   1.05000 -1.0 2.0
   59    56    61    63   0.56600 -1.0 2.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    71   3.62500 -1.0 2.0
   59    64    67    68   0.00000  1.0 1.0
   59    64    67    69   0.00000  1.0 1.0
   59    64    67    70   0.00000  1.0 1.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    67   3.62500 -1.0 2.0
   64    65   -71    54   3.62500 -1.0 2.0
   64    65    71    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    54   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    54   -56    59   3.62500 -1.0 2.0
   71    54    56    61   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    71   3.62500 -1.0 2.0
   61    56    59    60   3.62500 -1.0 2.0
   61    56    59    64   3.62500 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    50    46  -0.30950  1.0 1.0
   39    33    50    46   1.11150 -1.0 2.0
   39    33    50    46   0.40350  1.0 3.0
   39    33    50    51  -0.11250  1.0 3.0
   39    33    50    54  -2.95950  1.0 1.0
   39    33    50    54   0.02300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   43    55    42    37   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   52    57    55    42   4.00000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
   56    71    54    50   4.00000 -1.0 2.0
   59    61    56    54   4.00000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   65    67    64    59   4.00000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    72    71    54   4.00000 -1.0 2.0
   56    63    61    62  10.50000 -1.0 2.0
   40    33    39    41  10.50000 -1.0 2.0
END
