* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    121    187     354
    1     0 S   NP   _N1_     1    28.51013    96.67677   -20.06040
    2     1 S   H    _HN1     2     1.02955    76.11731   -15.78162
    3     1 S   H    _H1_     3     1.02840    43.46295   118.81696
    4     1 S   H    _H2_     4     1.02786    89.90510  -124.63079
    5     1 S   CT   _CA1     5     1.50094   152.13512    91.88954
    6     5 S   HC   _HA1     6     1.09588   105.24003    78.77679
    7     5 S   CO3  _C1_     7     1.53931   112.16655   -41.20734
    8     7 S   O2Z  _O11     8     1.26334   115.05080   -50.86777
    9     7 S   O2Z  _O12     9     1.26317   115.04176   128.29214
   10     5 S   CT   _CB1    10     1.53222   107.35399  -163.59796
   11    10 S   HC   HB11    11     1.09809   109.55624   -52.29511
   12    10 S   HC   HB12    12     1.09805   110.44525    64.42658
   13    10 S   CT   _CG1    13     1.52835   112.25112  -173.34958
   14    13 S   HC   HG11    14     1.09309   109.77731   -63.16111
   15    13 S   HC   HG12    15     1.09642   110.03308    55.87413
   16    13 S   C    _CD1    16     1.51716   112.98786   177.24437
   17    16 S   O    _OE1    17     1.22720   123.34530     3.49771
   18    16 S   N    _N2_    18     1.38633   111.56002  -176.94841
   19    18 S   H    _HN2    19     1.01558   118.87826     5.26767
   20    18 S   CT1  _CA2    20     1.45719   122.93745   178.69854
   21    20 S   HC   _HA2    21     1.09718   108.77786    27.74450
   22    20 S   C    _C2_    22     1.52935   106.93002   -89.40728
   23    22 S   O    _O2_    23     1.22976   123.02749   -28.32398
   24    20 S   CT   _CB2    32     1.53222   112.44123   151.08835
   25    24 S   HC   HB21    33     1.09492   110.49073    56.59930
   26    24 S   HC   HB22    34     1.09563   110.14139   174.06555
   27    22 S   N    _N3_    24     1.38480   112.55024   154.55272
   28    27 S   H    _HN3    25     1.01650   120.38254    -2.41589
   29    24 S   S    _SG2    35     1.82872   111.81437   -67.30680
   30    27 S   CT   _CA3    26     1.45355   122.49569   178.54196
   31    30 S   HC   HA31    27     1.09566   107.81665   -55.71411
   32    30 S   HC   HA32    28     1.09561   107.61531    60.63342
   33    29 S   CT   _C19    36     1.84288   100.31929   125.77245
   34    33 S   HC   _H3_    37     1.09714   106.85124    44.45924
   35    30 S   CO3  _C3_    29     1.52892   114.28901  -177.62669
   36    35 S   O2Z  _O31    30     1.26340   116.04417    -0.35608
   37    35 S   O2Z  _O32    31     1.26432   114.41758   179.61336
   38    33 S   CA   _C12    38     1.51924   111.27034   -75.26004
   39    33 S   CT   _C18    50     1.53893   108.47991   160.15542
   40    39 S   HC   _H32    51     1.09756   111.01673   -56.27489
   41    39 S   HC   _H33    52     1.09610   111.26320    62.75291
   42    38 S   CA   _C5_    39     1.40511   121.86119   -67.02701
   43    42 S   HA   _H23    40     1.08713   120.67995     0.23323
   44    39 S   CO4  _C16    53     1.51920   110.74603  -174.45461
   45    44 S   O    _O17    54     1.22708   122.84828    54.32659
   46    42 S   CA   _C8_    41     1.39552   120.78593   179.58693
   47    46 S   HA   _H26    42     1.08631   119.51358  -179.50862
   48    44 S   CA   _C11    55     1.47931   117.53676  -125.25045
   49    46 S   CA   _C13    43     1.39117   119.58814    -0.63366
   50    48 S   CA   _C4_    56     1.39959   118.33716   -56.89889
   51    50 S   HA   _H22    57     1.08674   121.05143    -0.52039
   52    49 S   CA   _C9_    44     1.39009   120.70582     1.56561
   53    52 S   HA   _H27    45     1.08613   120.51430   179.47325
   54    49 S   OH   _O18    48     1.36593   120.94651  -177.67552
   55    54 S   HO   _H35    49     0.97673   108.41217    14.68426
   56    50 S   CA   _C7_    58     1.39175   119.63581  -180.00000
   57    56 S   HA   _H25    59     1.08623   119.98945   179.87805
   58    38 S   CA   _C6_    46     1.40482   119.63840   113.19828
   59    58 S   HA   _H24    47     1.08751   120.38431     0.44631
   60    56 S   CA   _C14    60     1.39155   119.47282     0.04846
   61    60 S   CA   _C10    61     1.39759   121.21544    -0.05935
   62    61 S   HA   _H28    62     1.08522   118.73596  -179.98022
   63    60 S   OH   _O19    69     1.36746   117.86993   179.94405
   64    63 S   HO   _H36    70     0.97236   108.73653   179.87180
   65    48 S   CA   _C15    63     1.40573   120.48049   123.02373
   66    65 S   OS   _O20    64     1.37005   116.64401    -0.82377
   67    66 S   CT   _C17    65     1.42195   117.42443  -173.63591
   68    67 S   HC   _H29    66     1.09424   107.74770   176.87964
   69    67 S   HC   _H30    67     1.09506   111.22796    59.08946
   70    67 S   HC   _H31    68     1.09476   111.04135   -65.46523
  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   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  10
   6   8   4   5   3   2   1   7   3   1   1   6   6   3   2   1
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    53    58    59    39    40    41    44  
   40    41    44    45    48    50    65    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    58    59    54  
   46    47    49    58  
   45    48    50    51    56    61    65    66  
   48    50    65  
   47    49    52    53    58    54    55  
   49    52    54  
   50    51    56    57    60    61    62    65    66    67  
   52    53    58    59    54    55  
   51    56    57    60    61    65    66    63  
   56    57    60    65  
   53    58    59    54    55  
   58    59    54  
   55    58  
    0  
   57    60    61    62    65    63    64  
   60    61    63  
   59  
    0  
   61    62    65    66    63    64  
   62    65    66    67    63    64  
   65    66    63  
   64    65  
    0  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   310.000  1.470
   48    50   469.000  1.400
   48    65   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   450.000  1.364
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    52    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    58    59    35.00000  120.00000
   58    38    42    63.00000  120.00000
   58    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    60.00000  119.52600
   44    48    65    60.00000  119.52600
   48    44    45    75.00000  123.78400
   48    50    51    35.00000  120.00000
   48    50    56    63.00000  120.00000
   48    65    61    63.00000  120.00000
   48    65    66    70.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    60    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    60    61    63.00000  120.00000
   56    60    63    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    66    70.00000  120.00000
   65    48    50    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    66    67    75.00000  111.00000
   66    67    68    35.00000  109.50000
   66    67    69    35.00000  109.50000
   66    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    60    61    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    52   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.05850 -1.0 2.0
   33    39    44    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    52   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    58   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -58    38   3.62500 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    58    38   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   2.26350  1.0 1.0
   39    44    48    50   0.76750 -1.0 2.0
   39    44    48    50   0.22500  1.0 3.0
   39    44    48    65   2.26350  1.0 1.0
   39    44    48    65   0.76750 -1.0 2.0
   39    44    48    65   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48    50    56   3.62500 -1.0 2.0
   44    48    65    61   3.62500 -1.0 2.0
   44    48    65    66   3.62500 -1.0 2.0
   45    44    48    50   1.05000 -1.0 2.0
   45    44    48    65   1.05000 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   48    50    56    60   3.62500 -1.0 2.0
   48    65    66    67   1.63200 -1.0 2.0
   50    48    65    61   3.62500 -1.0 2.0
   50    48    65    66   3.62500 -1.0 2.0
   50    56   -60    61   3.62500 -1.0 2.0
   50    56    60    63   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    60   3.62500 -1.0 2.0
   56    60    61    62   3.62500 -1.0 2.0
   56    60    61    65   3.62500 -1.0 2.0
   56    60    63    64   0.84100 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    61   -65    48   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65    66    67   1.63200 -1.0 2.0
   62    61    65    48   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   65    48    50    51   3.62500 -1.0 2.0
   65    48   -50    56   3.62500 -1.0 2.0
   65    66    67    68   0.08050  1.0 3.0
   65    66    67    69   0.08050  1.0 3.0
   65    66    67    70   0.08050  1.0 3.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   58    53    52    49   1.10000 -1.0 2.0
   52    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    65    48    44   4.00000 -1.0 2.0
   56    51    50    48   1.10000 -1.0 2.0
   60    57    56    50   1.10000 -1.0 2.0
   61    63    60    56   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   61    66    65    48   4.00000 -1.0 2.0
END
