* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    129    188     380
    1     0 S   NP   _N1_     1    28.79385    93.98825   -21.09663
    2     1 S   H    _HN1     2     1.02774    90.65387   -76.58102
    3     1 S   H    _H1_     3     1.02961    94.40291    31.90035
    4     1 S   H    _H2_     4     1.02837    26.63962   151.85468
    5     1 S   CT   _CA1     5     1.50173   137.22957   158.57903
    6     5 S   HC   _HA1     6     1.09562   105.20709    56.01746
    7     5 S   CO3  _C1_     7     1.53871   112.39922   -64.19014
    8     7 S   O2Z  _O11     8     1.26413   115.00604   -38.72137
    9     7 S   O2Z  _O12     9     1.26243   114.99025   140.40700
   10     5 S   CT   _CB1    10     1.53107   107.41200   174.11484
   11    10 S   HC   HB11    11     1.09819   109.53078   -47.51576
   12    10 S   HC   HB12    12     1.09831   110.26402    69.07761
   13    10 S   CT   _CG1    13     1.53049   112.77334  -168.57690
   14    13 S   HC   HG11    14     1.09515   110.41638   -59.77964
   15    13 S   HC   HG12    15     1.09624   110.14792    59.35626
   16    13 S   C    _CD1    16     1.51848   112.10843   179.48414
   17    16 S   O    _OE1    17     1.22740   123.13253   -12.82903
   18    16 S   N    _N2_    18     1.38632   111.79043   167.78663
   19    18 S   H    _HN2    19     1.01581   119.03829     1.79842
   20    18 S   CT1  _CA2    20     1.46339   123.40387  -177.25862
   21    20 S   HC   _HA2    21     1.09733   109.32235   -15.81236
   22    20 S   C    _C2_    22     1.53369   108.28765  -131.58799
   23    22 S   O    _O2_    23     1.23004   122.27962  -145.37625
   24    20 S   CT   _CB2    32     1.53539   111.32732   106.26380
   25    24 S   HC   HB21    33     1.09597   109.60225    54.86070
   26    24 S   HC   HB22    34     1.09499   110.79473   173.89645
   27    22 S   N    _N3_    24     1.38519   113.30613    41.94515
   28    27 S   H    _HN3    25     1.01533   118.92649    -0.46098
   29    24 S   S    _SG2    35     1.82549   111.62342   -66.21197
   30    27 S   CT   _CA3    26     1.45450   123.41638   175.14098
   31    30 S   HC   HA31    27     1.09525   109.20758    24.90665
   32    30 S   HC   HA32    28     1.09495   107.12678   141.90919
   33    29 S   CT   _C12    36     1.82745    99.30710   163.98469
   34    33 S   HC   _H14    37     1.09362   107.62825   -46.52242
   35    33 S   HC   _H15    38     1.09491   108.61979    70.03844
   36    30 S   CO3  _C3_    29     1.52929   113.14522   -98.54912
   37    36 S   O2Z  _O31    30     1.26400   115.41881   -44.04155
   38    36 S   O2Z  _O32    31     1.26357   114.97229   136.89783
   39    33 S   CT   _C10    39     1.53882   112.97050  -167.49986
   40    39 S   HC   _H8_    40     1.09770   109.16288   175.73713
   41    39 S   CT   _C11    41     1.53267   112.50678   -64.21253
   42    41 S   HC   _H11    42     1.09425   110.98900   -49.63135
   43    41 S   HC   _H12    43     1.09433   111.37422    71.84134
   44    39 S   OS1  _O34    50     1.43442   110.90071    55.81634
   45    41 S   OS   _O35    44     1.42655   108.56715  -167.36819
   46    44 S   CO1  _C9_    51     1.43077   114.92638    80.84959
   47    46 S   HC   _H7_    52     1.09460   109.32397   -47.68866
   48    45 S   P2   _P1_    45     1.63131   119.97608  -130.19894
   49    48 S   O2Z  _O38    46     1.51149   108.64647  -179.17031
   50    48 S   O2Z  _O36    47     1.51174   109.59431   -45.14818
   51    46 S   CT   _C8_    53     1.53110   108.97032  -165.80381
   52    51 S   HC   _H6_    54     1.09727   110.09845   174.27365
   53    48 S   OS   _O37    48     1.63118    99.56438    68.06024
   54    53 S   HO   _H13    49     0.97898   116.49080   -79.68743
   55    51 S   CT   _C7_    55     1.52724   110.77756   -65.17334
   56    55 S   HC   _H5_    56     1.09602   111.27639    72.26479
   57    51 S   OH5  _O39    71     1.42575   110.35419    55.82093
   58    57 S   HO   _H16    72     0.97207   107.56760    58.76358
   59    55 S   CT   _C6_    57     1.53268   110.52781   -51.68867
   60    59 S   HC   _H4_    58     1.09730   108.65845   -74.15783
   61    55 S   OH5  _O40    69     1.43085   109.22142  -170.81819
   62    61 S   HO   _H17    70     0.97670   107.51108   -53.71698
   63    59 S   CT   _C5_    59     1.53561   112.32798    47.51249
   64    63 S   HC   _H3_    60     1.09520   110.60228    70.46050
   65    59 S   OH5  _O41    67     1.42843   109.44877   169.57294
   66    65 S   HO   _H18    68     0.97406   107.75968   -62.41409
   67    46 S   OS1  _O33    61     1.43013   113.17996    72.55503
   68    63 S   CT   _C4_    62     1.53091   111.11185  -170.28770
   69    68 S   HC   _H9_    63     1.09496   110.95530    68.94701
   70    68 S   HC   _H10    64     1.09420   111.37756   -53.23447
   71    68 S   OH5  _O42    65     1.42490   109.29643  -172.41232
   72    71 S   HO   _H19    66     0.97209   107.03517   178.04395
  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   7   5   4   3
  10   5   4   2   1   1  11   6   9   4   3   9   5  13   6   4
   3   2  12   7   1   1  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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    44    46  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    45    48    44    46    47    51    67  
   41    42    43    45    44    46  
   42    43    45    48    49    50    53    44    46  
   43    45    48    44  
   45    48    44  
   46    47    51    52    55    63    67    57    45  
   48    49    50    53    54  
   47    51    52    55    56    59    63    64    67    68    61    57    58  
   51    52    55    63    67    57  
   49    50    53    54  
   50    53    54  
   53    54  
   52    55    56    59    60    63    67    65    61    62    57    58  
   55    56    59    67    61    57    58  
   54  
    0  
   56    59    60    63    64    67    68    65    66    61    62    57    58  
   59    60    63    65    61    62    57  
   58    59    61    67  
    0  
   60    63    64    67    68    69    70    71    65    66    61    62  
   63    64    67    68    65    66    61  
   62    63    65  
    0  
   64    67    68    69    70    71    72    65    66  
   67    68    69    70    71    65  
   66    67    68  
    0  
   68    69    70    71  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   335.000  1.422
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   320.000  1.410
   45    48   230.000  1.697
   48    49   525.000  1.480
   48    50   525.000  1.480
   48    53   230.000  1.697
   53    54   553.000  0.945
   44    46   370.000  1.399
   46    47   360.000  1.097
   46    51   255.000  1.525
   46    67   370.000  1.399
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   355.000  1.421
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   355.000  1.421
   63    64   340.000  1.090
   63    67   335.000  1.422
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   355.000  1.421
   71    72   580.000  0.967
   65    66   580.000  0.967
   61    62   580.000  0.967
   57    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    95.00000  107.88500
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    45    50.00000  109.50000
   39    44    46    90.00000  112.10700
   41    39    40    37.50000  110.70000
   41    45    48   100.00000  120.50000
   43    41    42    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    35.00000  109.50000
   45    48    49   100.00000  108.23000
   45    48    50   100.00000  108.23000
   45    48    53    45.00000  102.60000
   48    53    54    45.00000  108.50000
   50    48    49   140.00000  119.90000
   53    48    49   100.00000  108.23000
   53    48    50   100.00000  108.23000
   44    39    40    55.00000  108.98800
   44    39    41    95.00000  107.88500
   44    46    47    60.00000  105.75400
   44    46    51    90.00000  109.70700
   44    46    67   110.00000  113.16000
   46    51    52    45.00000  109.54000
   46    51    55    70.00000  111.10000
   46    51    57    90.00000  109.42000
   46    67    63    90.00000  112.10700
   51    46    47    45.00000  111.65000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    61    90.00000  111.45300
   51    57    58    65.00000  108.53500
   55    51    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    65    90.00000  111.45300
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    67    95.00000  107.88500
   59    63    68    58.35000  112.70000
   59    65    66    65.00000  108.53500
   63    59    60    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    90.00000  111.45300
   67    46    47    60.00000  105.75400
   67    46    51    90.00000  109.70700
   67    63    64    55.00000  108.98800
   68    63    64    37.50000  110.70000
   68    63    67    95.00000  107.88500
   68    71    72    65.00000  108.53500
   70    68    69    33.00000  107.80000
   71    68    69    60.00000  109.39000
   71    68    70    60.00000  109.39000
   65    59    60    60.00000  109.39000
   65    59    63    90.00000  111.45300
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   57    51    52    60.00000  109.39000
   57    51    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  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    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    44    46   0.06250  1.0 1.0
   33    39    44    46  -0.01100 -1.0 2.0
   33    39    44    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    45    48  -2.65550  1.0 1.0
   39    41    45    48  -0.22350 -1.0 2.0
   39    41    45    48   0.24150  1.0 3.0
   39    44    46    47   0.37050  1.0 3.0
   39    44    46    51   0.06250  1.0 1.0
   39    44    46    51  -0.01100 -1.0 2.0
   39    44    46    51   0.28050  1.0 3.0
   39    44    46    67  -0.12700  1.0 1.0
   39    44    46    67  -1.16200 -1.0 2.0
   39    44    46    67   0.58800  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    44    46   0.37050  1.0 3.0
   41    39    44    46   0.06250  1.0 1.0
   41    39    44    46  -0.01100 -1.0 2.0
   41    39    44    46   0.28050  1.0 3.0
   41    45    48    49   0.00000  1.0 1.0
   41    45    48    50   0.00000  1.0 1.0
   41    45    48    53   0.05050  1.0 1.0
   41    45    48    53  -1.30700 -1.0 2.0
   41    45    48    53   0.91550  1.0 3.0
   42    41    45    48   0.03000  1.0 3.0
   43    41    45    48   0.03000  1.0 3.0
   45    48    53    54   0.00000  1.0 1.0
   49    48    53    54   0.00000  1.0 1.0
   50    48    53    54   0.00000  1.0 1.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    45   1.11900  1.0 1.0
   44    39    41    45  -1.16350 -1.0 2.0
   44    39    41    45  -0.34150  1.0 3.0
   44    46    51    52   0.23400  1.0 3.0
   44    46    51    55   0.62750  1.0 1.0
   44    46    51    55  -0.30950 -1.0 2.0
   44    46    51    55   0.27300  1.0 3.0
   44    46    51    57   1.51850  1.0 1.0
   44    46    67    63  -0.70400  1.0 1.0
   44    46    67    63  -0.90350 -1.0 2.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    59   0.56750  1.0 1.0
   46    51    55    59  -0.07550 -1.0 2.0
   46    51    55    59   0.20000  1.0 3.0
   46    51    55    61  -0.47750  1.0 1.0
   46    51    57    58   0.29150  1.0 1.0
   46    51    57    58  -0.28350 -1.0 2.0
   46    51    57    58   0.43600  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   47    46    67    63   0.37050  1.0 3.0
   51    46    67    63   0.06250  1.0 1.0
   51    46    67    63  -0.01100 -1.0 2.0
   51    46    67    63   0.28050  1.0 3.0
   51    55    59    60   0.15000  1.0 3.0
   51    55   -59    63   0.56750  1.0 1.0
   51    55   -59    63  -0.07550 -1.0 2.0
   51    55   -59    63   0.20000  1.0 3.0
   51    55    59    65  -0.47750  1.0 1.0
   51    55    61    62   0.29150  1.0 1.0
   51    55    61    62  -0.28350 -1.0 2.0
   51    55    61    62   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.23400  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   55    51    57    58   0.29150  1.0 1.0
   55    51    57    58  -0.28350 -1.0 2.0
   55    51    57    58   0.43600  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    67   0.62750  1.0 1.0
   55    59    63    67  -0.30950 -1.0 2.0
   55    59    63    67   0.27300  1.0 3.0
   55    59    63    68   0.56750  1.0 1.0
   55    59    63    68  -0.07550 -1.0 2.0
   55    59    63    68   0.20000  1.0 3.0
   55    59    65    66   0.29150  1.0 1.0
   55    59    65    66  -0.28350 -1.0 2.0
   55    59    65    66   0.43600  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    65   0.23400  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    63   -67    46   0.06250  1.0 1.0
   59    63   -67    46  -0.01100 -1.0 2.0
   59    63   -67    46   0.28050  1.0 3.0
   59    63    68    69   0.15000  1.0 3.0
   59    63    68    70   0.15000  1.0 3.0
   59    63    68    71  -0.47750  1.0 1.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    67   0.23400  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   60    59    65    66   0.19450  1.0 3.0
   63    59    65    66   0.29150  1.0 1.0
   63    59    65    66  -0.28350 -1.0 2.0
   63    59    65    66   0.43600  1.0 3.0
   63    68    71    72   0.29150  1.0 1.0
   63    68    71    72  -0.28350 -1.0 2.0
   63    68    71    72   0.43600  1.0 3.0
   64    63    67    46   0.37050  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.23400  1.0 3.0
   67    46    51    52   0.23400  1.0 3.0
   67    46   -51    55   0.62750  1.0 1.0
   67    46   -51    55  -0.30950 -1.0 2.0
   67    46   -51    55   0.27300  1.0 3.0
   67    46    51    57   1.51850  1.0 1.0
   67    63    68    69   0.23400  1.0 3.0
   67    63    68    70   0.23400  1.0 3.0
   67    63    68    71   1.51850  1.0 1.0
   68    63    67    46   0.06250  1.0 1.0
   68    63    67    46  -0.01100 -1.0 2.0
   68    63    67    46   0.28050  1.0 3.0
   69    68    71    72   0.19450  1.0 3.0
   70    68    71    72   0.19450  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    67   1.51850  1.0 1.0
   65    59    63    68  -0.47750  1.0 1.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63  -0.47750  1.0 1.0
   61    55    59    65   3.77950  1.0 1.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    59  -0.47750  1.0 1.0
   57    51    55    61   3.77950  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
END
