* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    131    200     388
    1     0 S   NP   _N1_     1    29.12300    94.94352   -24.18125
    2     1 S   H    _HN1     2     1.02796   107.11712  -113.75688
    3     1 S   H    _H1_     3     1.02915    84.53895    -6.17444
    4     1 S   H    _H2_     4     1.02841    24.52932   150.73667
    5     1 S   CT   _CA1     5     1.50107   129.65806   106.03120
    6     5 S   HC   _HA1     6     1.09557   105.20937    77.45098
    7     5 S   CO3  _C1_     7     1.53855   112.44530   -42.98802
    8     7 S   O2Z  _O11     8     1.26402   115.02506   -41.36358
    9     7 S   O2Z  _O12     9     1.26218   114.98390   137.81956
   10     5 S   CT   _CB1    10     1.53064   107.50061  -164.28590
   11    10 S   HC   HB11    11     1.09827   109.78194   -46.28245
   12    10 S   HC   HB12    12     1.09724   110.32365    70.47950
   13    10 S   CT   _CG1    13     1.52958   112.58577  -167.19770
   14    13 S   HC   HG11    14     1.09566   110.76814   -61.40433
   15    13 S   HC   HG12    15     1.09649   109.76345    57.88665
   16    13 S   C    _CD1    16     1.51750   112.00731   178.76014
   17    16 S   O    _OE1    17     1.22761   123.21750    11.48890
   18    16 S   N    _N2_    18     1.38608   111.81001  -169.70763
   19    18 S   H    _HN2    19     1.01591   119.17681     2.34502
   20    18 S   CT1  _CA2    20     1.46073   123.11622  -179.44751
   21    20 S   HC   _HA2    21     1.09561   109.14196    -4.53358
   22    20 S   C    _C2_    22     1.53405   108.96072  -119.63344
   23    22 S   O    _O2_    23     1.23042   122.20650  -150.17344
   24    20 S   CT   _CB2    32     1.53372   111.70118   117.63309
   25    24 S   HC   HB21    33     1.09660   109.47097    64.18985
   26    24 S   HC   HB22    34     1.09502   110.99973  -178.59472
   27    22 S   N    _N3_    24     1.38309   113.59240    37.40915
   28    27 S   H    _HN3    25     1.01623   119.49402    -3.67919
   29    24 S   S    _SG2    35     1.82984   114.10802   -54.86953
   30    27 S   CT   _CA3    26     1.45284   123.23560   176.95400
   31    30 S   HC   HA31    27     1.09549   107.55268   -63.61510
   32    30 S   HC   HA32    28     1.09556   107.93966    52.82133
   33    29 S   CT   _C9_    36     1.84122   100.62601   -71.96761
   34    33 S   HC   _H3_    37     1.09225   108.89118    42.52282
   35    30 S   CO3  _C3_    29     1.52958   114.05277   174.79903
   36    35 S   O2Z  _O31    30     1.26380   116.03882    -0.14671
   37    35 S   O2Z  _O32    31     1.26421   114.42513   179.90513
   38    33 S   CT   _C5_    38     1.51870   110.19962   -81.50330
   39    38 S   HC   _H21    39     1.09518   111.04702   157.02759
   40    38 S   HC   _H22    40     1.09255   114.35444    32.33239
   41    38 S   CO4  _C4_    41     1.50282   102.39906   -87.93801
   42    41 S   O    _O33    42     1.22079   125.57975   162.63499
   43    41 S   OS   _O13    43     1.36824   109.71601   -18.93621
   44    33 S   CT   _C11    44     1.52666   113.70831   166.03026
   45    44 S   HC   _H28    45     1.09899   109.79996  -165.00096
   46    44 S   CT   _C14    46     1.52569   117.38420   -40.44233
   47    46 S   HC   _H32    47     1.09502   111.32475    70.41728
   48    46 S   HC   _H33    48     1.09544   110.16898   -52.06853
   49    46 S   OS1  _O19    49     1.43166   108.10618  -171.65440
   50    49 S   CO1  _C12    50     1.43352   112.29720   174.11267
   51    50 S   HC   _H29    51     1.09858   108.85167    43.30903
   52    50 S   CT   _C8_    52     1.53343   107.46034   162.48339
   53    52 S   HC   _H25    53     1.09677   110.06544    52.68296
   54    52 S   CT   _C6_    54     1.53039   111.11526   174.72270
   55    54 S   HC   _H23    55     1.09663   110.35283    72.81004
   56    52 S   OH5  _O17    70     1.42971   109.94611   -64.10499
   57    56 S   HO   _H36    71     0.97226   108.18773   -60.58552
   58    54 S   CT   _C7_    56     1.53104   111.10989   -49.90055
   59    58 S   HC   _H24    57     1.09645   108.60783   -71.51424
   60    54 S   OH5  _O15    68     1.42963   109.61617  -171.22893
   61    60 S   HO   _H34    69     0.97245   108.08157    61.14088
   62    58 S   CT   _C10    58     1.53438   110.64992    50.14301
   63    62 S   HC   _H27    59     1.09784   110.19413    64.42537
   64    58 S   OH5  _O16    66     1.42660   109.69936   171.86890
   65    64 S   HO   _H35    67     0.97258   108.13527   -59.69841
   66    50 S   OS1  _O14    60     1.42888   110.23904   -77.45760
   67    62 S   CT   _C13    61     1.53159   112.54942  -175.90806
   68    67 S   HC   _H30    62     1.09447   110.92099   -65.40025
   69    67 S   HC   _H31    63     1.09384   110.30096   173.70200
   70    67 S   OH5  _O18    64     1.42332   110.68535    54.93524
   71    70 S   HO   _H37    65     0.97214   107.13081   179.70591
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  13   8   2   1   1   8   5   4   5   2   6   6   4   7   3   2
   8  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    49  
   38    39    40    41    43    44    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    46  
   43    44  
   44    45    46    47    48    49  
   45    46    47    48    49    50  
   46    47    48    49  
   47    48    49    50    51    52    66  
   48    49    50  
   49    50  
   50    51    52    53    54    62    66    56  
   51    52    53    54    55    58    62    63    66    67    60    56    57  
   52    53    54    62    66    56  
   53    54    55    58    59    62    66    64    60    61    56    57  
   54    55    58    66    60    56    57  
   55    58    59    62    63    66    67    64    65    60    61    56    57  
   58    59    62    64    60    61    56  
   57    58    60    66  
    0  
   59    62    63    66    67    68    69    70    64    65    60    61  
   62    63    66    67    64    65    60  
   61    62    64  
    0  
   63    66    67    68    69    70    71    64    65  
   66    67    68    69    70    64  
   65    66    67  
    0  
   67    68    69    70  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   335.000  1.422
   49    50   370.000  1.399
   50    51   360.000  1.097
   50    52   255.000  1.525
   50    66   370.000  1.399
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   355.000  1.421
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   355.000  1.421
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    64   355.000  1.421
   62    63   340.000  1.090
   62    66   335.000  1.422
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   355.000  1.421
   70    71   580.000  0.967
   64    65   580.000  0.967
   60    61   580.000  0.967
   56    57   580.000  0.967
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    50.00000  109.50000
   33    44    45    37.50000  110.70000
   33    44    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    95.00000  107.88500
   46    44    45    37.50000  110.70000
   46    49    50    90.00000  112.10700
   48    46    47    33.00000  107.80000
   49    46    47    55.00000  108.98800
   49    46    48    55.00000  108.98800
   49    50    51    60.00000  105.75400
   49    50    52    90.00000  109.70700
   49    50    66   110.00000  113.16000
   50    52    53    45.00000  109.54000
   50    52    54    70.00000  111.10000
   50    52    56    90.00000  109.42000
   50    66    62    90.00000  112.10700
   52    50    51    45.00000  111.65000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    60    90.00000  111.45300
   52    56    57    65.00000  108.53500
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    58    64    90.00000  111.45300
   54    60    61    65.00000  108.53500
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    66    95.00000  107.88500
   58    62    67    58.35000  112.70000
   58    64    65    65.00000  108.53500
   62    58    59    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    90.00000  111.45300
   66    50    51    60.00000  105.75400
   66    50    52    90.00000  109.70700
   66    62    63    55.00000  108.98800
   67    62    63    37.50000  110.70000
   67    62    66    95.00000  107.88500
   67    70    71    65.00000  108.53500
   69    67    68    33.00000  107.80000
   70    67    68    60.00000  109.39000
   70    67    69    60.00000  109.39000
   64    58    59    60.00000  109.39000
   64    58    62    90.00000  111.45300
   60    54    55    60.00000  109.39000
   60    54    58    90.00000  111.45300
   56    52    53    60.00000  109.39000
   56    52    54    90.00000  111.45300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.56750  1.0 1.0
   29    33    44    43  -0.07550 -1.0 2.0
   29    33    44    43   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    46   0.44750  1.0 1.0
   29    33    44    46  -0.17800 -1.0 2.0
   29    33    44    46   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.36750  1.0 3.0
   33    44    46    47   0.15000  1.0 3.0
   33    44    46    48   0.15000  1.0 3.0
   33    44    46    49   0.62750  1.0 1.0
   33    44    46    49  -0.30950 -1.0 2.0
   33    44    46    49   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.23400  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    46   0.15000  1.0 3.0
   38    33   -44    43   0.62750  1.0 1.0
   38    33   -44    43  -0.30950 -1.0 2.0
   38    33   -44    43   0.27300  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    46   0.56750  1.0 1.0
   38    33    44    46  -0.07550 -1.0 2.0
   38    33    44    46   0.20000  1.0 3.0
   38    41   -43    44   1.63150  1.0 1.0
   38    41   -43    44   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.25900  1.0 1.0
   41    43   -44    33  -0.47000 -1.0 2.0
   41    43   -44    33   0.11750  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    49   1.11900  1.0 1.0
   43    44    46    49  -1.16350 -1.0 2.0
   43    44    46    49  -0.34150  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    46    49    50   0.06250  1.0 1.0
   44    46    49    50  -0.01100 -1.0 2.0
   44    46    49    50   0.28050  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.23400  1.0 3.0
   46    49    50    51   0.37050  1.0 3.0
   46    49    50    52   0.06250  1.0 1.0
   46    49    50    52  -0.01100 -1.0 2.0
   46    49    50    52   0.28050  1.0 3.0
   46    49    50    66  -0.12700  1.0 1.0
   46    49    50    66  -1.16200 -1.0 2.0
   46    49    50    66   0.58800  1.0 3.0
   47    46    49    50   0.37050  1.0 3.0
   48    46    49    50   0.37050  1.0 3.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.62750  1.0 1.0
   49    50    52    54  -0.30950 -1.0 2.0
   49    50    52    54   0.27300  1.0 3.0
   49    50    52    56   1.51850  1.0 1.0
   49    50    66    62  -0.70400  1.0 1.0
   49    50    66    62  -0.90350 -1.0 2.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    58   0.56750  1.0 1.0
   50    52    54    58  -0.07550 -1.0 2.0
   50    52    54    58   0.20000  1.0 3.0
   50    52    54    60  -0.47750  1.0 1.0
   50    52    56    57   0.29150  1.0 1.0
   50    52    56    57  -0.28350 -1.0 2.0
   50    52    56    57   0.43600  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    56   0.23400  1.0 3.0
   51    50    66    62   0.37050  1.0 3.0
   52    50    66    62   0.06250  1.0 1.0
   52    50    66    62  -0.01100 -1.0 2.0
   52    50    66    62   0.28050  1.0 3.0
   52    54    58    59   0.15000  1.0 3.0
   52    54   -58    62   0.56750  1.0 1.0
   52    54   -58    62  -0.07550 -1.0 2.0
   52    54   -58    62   0.20000  1.0 3.0
   52    54    58    64  -0.47750  1.0 1.0
   52    54    60    61   0.29150  1.0 1.0
   52    54    60    61  -0.28350 -1.0 2.0
   52    54    60    61   0.43600  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    60   0.23400  1.0 3.0
   53    52    56    57   0.19450  1.0 3.0
   54    52    56    57   0.29150  1.0 1.0
   54    52    56    57  -0.28350 -1.0 2.0
   54    52    56    57   0.43600  1.0 3.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    66   0.62750  1.0 1.0
   54    58    62    66  -0.30950 -1.0 2.0
   54    58    62    66   0.27300  1.0 3.0
   54    58    62    67   0.56750  1.0 1.0
   54    58    62    67  -0.07550 -1.0 2.0
   54    58    62    67   0.20000  1.0 3.0
   54    58    64    65   0.29150  1.0 1.0
   54    58    64    65  -0.28350 -1.0 2.0
   54    58    64    65   0.43600  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    58    64   0.23400  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   58    54    60    61   0.29150  1.0 1.0
   58    54    60    61  -0.28350 -1.0 2.0
   58    54    60    61   0.43600  1.0 3.0
   58    62   -66    50   0.06250  1.0 1.0
   58    62   -66    50  -0.01100 -1.0 2.0
   58    62   -66    50   0.28050  1.0 3.0
   58    62    67    68   0.15000  1.0 3.0
   58    62    67    69   0.15000  1.0 3.0
   58    62    67    70  -0.47750  1.0 1.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    66   0.23400  1.0 3.0
   59    58    62    67   0.15000  1.0 3.0
   59    58    64    65   0.19450  1.0 3.0
   62    58    64    65   0.29150  1.0 1.0
   62    58    64    65  -0.28350 -1.0 2.0
   62    58    64    65   0.43600  1.0 3.0
   62    67    70    71   0.29150  1.0 1.0
   62    67    70    71  -0.28350 -1.0 2.0
   62    67    70    71   0.43600  1.0 3.0
   63    62    66    50   0.37050  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.23400  1.0 3.0
   66    50    52    53   0.23400  1.0 3.0
   66    50   -52    54   0.62750  1.0 1.0
   66    50   -52    54  -0.30950 -1.0 2.0
   66    50   -52    54   0.27300  1.0 3.0
   66    50    52    56   1.51850  1.0 1.0
   66    62    67    68   0.23400  1.0 3.0
   66    62    67    69   0.23400  1.0 3.0
   66    62    67    70   1.51850  1.0 1.0
   67    62    66    50   0.06250  1.0 1.0
   67    62    66    50  -0.01100 -1.0 2.0
   67    62    66    50   0.28050  1.0 3.0
   68    67    70    71   0.19450  1.0 3.0
   69    67    70    71   0.19450  1.0 3.0
   64    58    62    63   0.23400  1.0 3.0
   64    58    62    66   1.51850  1.0 1.0
   64    58    62    67  -0.47750  1.0 1.0
   60    54    58    59   0.23400  1.0 3.0
   60    54    58    62  -0.47750  1.0 1.0
   60    54    58    64   3.77950  1.0 1.0
   56    52    54    55   0.23400  1.0 3.0
   56    52    54    58  -0.47750  1.0 1.0
   56    52    54    60   3.77950  1.0 1.0
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
   38    43    41    42  10.50000 -1.0 2.0
END
