* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    127    188     372
    1     0 S   NP   _N1_     1    28.54531    95.95852   -22.94617
    2     1 S   H    _HN1     2     1.02778   100.77969   -69.45648
    3     1 S   H    _H1_     3     1.02959    72.93169    36.59091
    4     1 S   H    _H2_     4     1.02835    39.45174  -174.58687
    5     1 S   CT   _CA1     5     1.50115   142.74836   138.02567
    6     5 S   HC   _HA1     6     1.09575   105.23060    89.15514
    7     5 S   CO3  _C1_     7     1.53777   112.41062   -31.05732
    8     7 S   O2Z  _O11     8     1.26357   115.00076   -43.57277
    9     7 S   O2Z  _O12     9     1.26238   114.91787   135.62782
   10     5 S   CT   _CB1    10     1.53095   107.43048  -152.93405
   11    10 S   HC   HB11    11     1.09826   109.30965   -50.89099
   12    10 S   HC   HB12    12     1.09818   110.42221    65.65010
   13    10 S   CT   _CG1    13     1.53012   112.68884  -171.99705
   14    13 S   HC   HG11    14     1.09596   110.46206   -64.31978
   15    13 S   HC   HG12    15     1.09655   109.96382    54.90923
   16    13 S   C    _CD1    16     1.51816   112.32125   175.25521
   17    16 S   O    _OE1    17     1.22722   123.27122    -1.00171
   18    16 S   N    _N2_    18     1.38637   111.64113   179.16725
   19    18 S   H    _HN2    19     1.01593   119.01293     1.15674
   20    18 S   CT1  _CA2    20     1.46174   123.37217   179.47586
   21    20 S   HC   _HA2    21     1.09739   109.41067    -6.50059
   22    20 S   C    _C2_    22     1.53484   108.55068  -122.08253
   23    22 S   O    _O2_    23     1.23031   122.13466  -146.74349
   24    20 S   CT   _CB2    32     1.53457   111.49812   115.54777
   25    24 S   HC   HB21    33     1.09473   109.66742    56.05454
   26    24 S   HC   HB22    34     1.09421   109.75721   174.67277
   27    22 S   N    _N3_    24     1.38475   113.50635    40.70757
   28    27 S   H    _HN3    25     1.01504   118.94509    -0.63366
   29    24 S   S    _SG2    35     1.82952   111.46342   -65.94521
   30    27 S   CT   _CA3    26     1.45453   123.47648   174.92549
   31    30 S   HC   HA31    27     1.09520   109.26613    23.85959
   32    30 S   HC   HA32    28     1.09495   107.11424   140.89706
   33    29 S   CT   _C12    36     1.86125   101.31634   166.64137
   34    33 S   Cl   Cl4_    37     1.81619   107.66072   175.48920
   35    33 S   Cl   Cl5_    38     1.82908   105.25619   -72.82061
   36    30 S   CO3  _C3_    29     1.52932   113.10309   -99.61843
   37    36 S   O2Z  _O31    30     1.26404   115.41700   -43.35688
   38    36 S   O2Z  _O32    31     1.26356   114.96607   137.55316
   39    33 S   CT   _C11    39     1.57967   116.84024    51.04922
   40    39 S   HC   _H4_    40     1.09625   107.64116   -51.35461
   41    39 S   NTH0 _N4_    41     1.49121   119.40975    73.15762
   42    39 S   N    _N7_    66     1.47568   108.70313  -166.76562
   43    42 S   H    _H15    67     1.01471   117.22220   -75.35936
   44    41 S   CT   _C5_    42     1.46742   115.41606   -47.48924
   45    44 S   HC   _H7_    43     1.09222   110.59810    62.11323
   46    44 S   HC   _H8_    44     1.09715   110.86960   -58.21982
   47    42 S   C    _C13    68     1.37692   123.87460   105.79455
   48    47 S   O    _O34    69     1.22377   127.35207    -0.20367
   49    47 S   HC   _H16    70     1.10244   110.77562   179.72876
   50    44 S   CT   _C4_    45     1.53665   112.08084   179.45968
   51    50 S   HC   _H5_    46     1.09704   107.63682   178.22756
   52    50 S   HC   _H6_    47     1.09805   108.99494   -65.79353
   53    50 S   NTH0 _N5_    48     1.46897   111.83863    57.35321
   54    53 S   CT   _C7_    49     1.46213   110.01055   -55.41420
   55    54 S   HC   _H11    50     1.09695   111.46696   -67.25338
   56    54 S   HC   _H12    51     1.09233   110.71742   172.77279
   57    53 S   CT   _C8_    55     1.48300   112.05398   173.15779
   58    57 S   HC   _H3_    56     1.09929   104.94053   -49.17845
   59    41 S   CT   _C6_    52     1.48091   110.81232  -171.03288
   60    59 S   HC   _H9_    53     1.09895   110.20560    60.88856
   61    59 S   HC   _H10    54     1.09578   110.83286   -57.37708
   62    57 S   CT   _C9_    57     1.56503   116.93897  -164.75009
   63    62 S   Cl   Cl1_    58     1.79684   111.40211    42.83129
   64    62 S   Cl   Cl2_    59     1.79710   113.36648   -80.41824
   65    62 S   Cl   Cl3_    60     1.81037   109.55023   160.92544
   66    57 S   N    _N6_    61     1.46547   110.60568    65.85965
   67    66 S   H    _H13    62     1.01454   118.00946    60.66409
   68    66 S   C    _C10    63     1.37635   123.67752  -120.29011
   69    68 S   O    _O33    64     1.22364   127.50867     0.56579
   70    68 S   HC   _H14    65     1.10254   110.73267  -179.55545
  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  15   6  16   6   3  11   6   5   2   1
   1  11   4   3  15   9   5   4  11   7   2   1   1   6   3   2
   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    59    42    43    47  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    46    50    54    59    60    61    42    43    47    48    49  
   41    44    59    42    43    47  
   44    45    46    50    51    52    53    54    55    56    59    60    61    42    43    47  
   43    47    48    49    44    59  
   47    48    49  
   45    46    50    51    52    53    54    59    60    61    57  
   46    50    51    52    53    59  
   50    51    52    53    59  
   48    49  
   49  
    0  
   51    52    53    54    55    56    59    57    58    62    66  
   52    53    54    57  
   53    54    57  
   54    55    56    59    60    61    57    58    62    63    64    65    66    67    68  
   55    56    59    60    61    57    58    62    66  
   56    59    60    61    57  
   59    60    61    57  
   58    62    63    64    65    66    67    68    69    70    59  
   62    63    64    65    66    67    68  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66  
   66  
   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  -0.175000   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   0.150500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   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   0.478600   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   42   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.608400   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   63   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   64   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   65   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   66   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   70   2.4200   0.0150   0.000000   1.3810   1.2100   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    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   245.000  1.781
   33    35   245.000  1.781
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   310.000  1.447
   39    42   337.000  1.449
   41    44   310.000  1.447
   41    59   310.000  1.447
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   310.000  1.447
   53    54   310.000  1.447
   53    57   310.000  1.447
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    66   337.000  1.449
   62    63   245.000  1.781
   62    64   245.000  1.781
   62    65   245.000  1.781
   66    67   434.000  1.010
   66    68   490.000  1.335
   68    69   570.000  1.229
   68    70   350.000  1.101
   42    43   434.000  1.010
   42    47   490.000  1.335
   47    48   570.000  1.229
   47    49   350.000  1.101
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    85.00000  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    75.00000  113.73300
   33    39    42    70.00000  110.72300
   35    33    34    80.00000  110.42200
   39    33    34    69.00000  109.80000
   39    33    35    69.00000  109.80000
   39    41    44    80.00000  110.40700
   39    41    59    80.00000  110.40700
   39    42    43    38.00000  118.40000
   39    42    47    50.00000  121.90000
   41    39    40    50.00000  110.15500
   41    44    45    50.00000  110.15500
   41    44    46    50.00000  110.15500
   41    44    50    75.00000  113.73300
   41    59    54    75.00000  113.73300
   41    59    60    50.00000  110.15500
   41    59    61    50.00000  110.15500
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    75.00000  113.73300
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    53    54    80.00000  110.40700
   50    53    57    80.00000  110.40700
   52    50    51    33.00000  107.80000
   53    50    51    50.00000  110.15500
   53    50    52    50.00000  110.15500
   53    54    55    50.00000  110.15500
   53    54    56    50.00000  110.15500
   53    54    59    75.00000  113.73300
   53    57    58    50.00000  110.15500
   53    57    62    75.00000  113.73300
   53    57    66    80.00000  116.76000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    41    44    80.00000  110.40700
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   57    53    54    80.00000  110.40700
   57    62    63    69.00000  109.80000
   57    62    64    69.00000  109.80000
   57    62    65    69.00000  109.80000
   57    66    67    38.00000  118.40000
   57    66    68    50.00000  121.90000
   62    57    58    37.50000  110.70000
   64    62    63    80.00000  110.42200
   65    62    63    80.00000  110.42200
   65    62    64    80.00000  110.42200
   66    57    58    35.00000  109.50000
   66    57    62    70.00000  110.72300
   66    68    69    80.00000  122.90000
   66    68    70    50.00000  110.38700
   68    66    67    35.00000  119.80000
   70    68    69    50.00000  124.15400
   42    39    40    35.00000  109.50000
   42    39    41    80.00000  116.76000
   42    47    48    80.00000  122.90000
   42    47    49    50.00000  110.38700
   47    42    43    35.00000  119.80000
   49    47    48    50.00000  124.15400
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   1.99000  1.0 1.0
   33    39    41    44   0.18800 -1.0 2.0
   33    39    41    44   0.81350  1.0 3.0
   33    39    41    59   1.99000  1.0 1.0
   33    39    41    59   0.18800 -1.0 2.0
   33    39    41    59   0.81350  1.0 3.0
   33    39    42    43   0.00000  1.0 1.0
   33    39    42    47  -0.43950  1.0 1.0
   33    39    42    47  -0.08100 -1.0 2.0
   33    39    42    47   0.03350  1.0 3.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    42   0.56750  1.0 1.0
   34    33    39    42  -0.07550 -1.0 2.0
   34    33    39    42   0.20000  1.0 3.0
   35    33    39    40   0.27000  1.0 3.0
   35    33    39    41   0.56750  1.0 1.0
   35    33    39    41  -0.07550 -1.0 2.0
   35    33    39    41   0.20000  1.0 3.0
   35    33    39    42   0.56750  1.0 1.0
   35    33    39    42  -0.07550 -1.0 2.0
   35    33    39    42   0.20000  1.0 3.0
   39    41    44    45   0.28000  1.0 3.0
   39    41    44    46   0.28000  1.0 3.0
   39    41    44    50   0.58650  1.0 1.0
   39    41    44    50   0.12600 -1.0 2.0
   39    41    44    50   0.33350  1.0 3.0
   39    41    59    54   0.58650  1.0 1.0
   39    41    59    54   0.12600 -1.0 2.0
   39    41    59    54   0.33350  1.0 3.0
   39    41    59    60   0.28000  1.0 3.0
   39    41    59    61   0.28000  1.0 3.0
   39    42    47    48   3.04450 -1.0 2.0
   39    42    47    49   0.64600  1.0 1.0
   39    42    47    49   0.00100 -1.0 2.0
   39    42    47    49   0.30400  1.0 3.0
   40    39    41    44   0.28000  1.0 3.0
   40    39    41    59   0.28000  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    47   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    47  -0.42300  1.0 1.0
   41    39    42    47  -0.07000 -1.0 2.0
   41    39    42    47   0.04150  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    53   2.12850  1.0 1.0
   41    44    50    53  -1.41900 -1.0 2.0
   44    41    59    54   1.99000  1.0 1.0
   44    41    59    54   0.18800 -1.0 2.0
   44    41    59    54   0.81350  1.0 3.0
   44    41    59    60   0.28000  1.0 3.0
   44    41    59    61   0.28000  1.0 3.0
   44    50   -53    54   1.99000  1.0 1.0
   44    50   -53    54   0.18800 -1.0 2.0
   44    50   -53    54   0.81350  1.0 3.0
   44    50    53    57   0.58650  1.0 1.0
   44    50    53    57   0.12600 -1.0 2.0
   44    50    53    57   0.33350  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    53   0.15000  1.0 3.0
   50    53    54    55   0.28000  1.0 3.0
   50    53    54    56   0.28000  1.0 3.0
   50    53    54    59   1.99000  1.0 1.0
   50    53    54    59   0.18800 -1.0 2.0
   50    53    54    59   0.81350  1.0 3.0
   50    53    57    58   0.28000  1.0 3.0
   50    53    57    62   1.99000  1.0 1.0
   50    53    57    62   0.18800 -1.0 2.0
   50    53    57    62   0.81350  1.0 3.0
   50    53    57    66   0.23200  1.0 1.0
   50    53    57    66   0.02100 -1.0 2.0
   50    53    57    66   0.24950  1.0 3.0
   51    50    53    54   0.28000  1.0 3.0
   51    50    53    57   0.28000  1.0 3.0
   52    50    53    54   0.28000  1.0 3.0
   52    50    53    57   0.28000  1.0 3.0
   53    54   -59    41   2.12850  1.0 1.0
   53    54   -59    41  -1.41900 -1.0 2.0
   53    54    59    60   0.15000  1.0 3.0
   53    54    59    61   0.15000  1.0 3.0
   53    57    62    63   0.56750  1.0 1.0
   53    57    62    63  -0.07550 -1.0 2.0
   53    57    62    63   0.20000  1.0 3.0
   53    57    62    64   0.56750  1.0 1.0
   53    57    62    64  -0.07550 -1.0 2.0
   53    57    62    64   0.20000  1.0 3.0
   53    57    62    65   0.56750  1.0 1.0
   53    57    62    65  -0.07550 -1.0 2.0
   53    57    62    65   0.20000  1.0 3.0
   53    57    66    67   0.00000  1.0 1.0
   53    57    66    68  -0.42300  1.0 1.0
   53    57    66    68  -0.07000 -1.0 2.0
   53    57    66    68   0.04150  1.0 3.0
   54    53    57    58   0.28000  1.0 3.0
   54    53    57    62   1.99000  1.0 1.0
   54    53    57    62   0.18800 -1.0 2.0
   54    53    57    62   0.81350  1.0 3.0
   54    53    57    66   0.23200  1.0 1.0
   54    53    57    66   0.02100 -1.0 2.0
   54    53    57    66   0.24950  1.0 3.0
   55    54    59    41   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    41   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    41    44    45   0.28000  1.0 3.0
   59    41    44    46   0.28000  1.0 3.0
   59    41   -44    50   1.99000  1.0 1.0
   59    41   -44    50   0.18800 -1.0 2.0
   59    41   -44    50   0.81350  1.0 3.0
   57    53    54    55   0.28000  1.0 3.0
   57    53    54    56   0.28000  1.0 3.0
   57    53    54    59   0.58650  1.0 1.0
   57    53    54    59   0.12600 -1.0 2.0
   57    53    54    59   0.33350  1.0 3.0
   57    66    68    69   3.04450 -1.0 2.0
   57    66    68    70   0.64600  1.0 1.0
   57    66    68    70   0.00100 -1.0 2.0
   57    66    68    70   0.30400  1.0 3.0
   58    57    62    63   0.27000  1.0 3.0
   58    57    62    64   0.27000  1.0 3.0
   58    57    62    65   0.27000  1.0 3.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   62    57    66    67   0.00000  1.0 1.0
   62    57    66    68  -0.43950  1.0 1.0
   62    57    66    68  -0.08100 -1.0 2.0
   62    57    66    68   0.03350  1.0 3.0
   66    57    62    63   0.56750  1.0 1.0
   66    57    62    63  -0.07550 -1.0 2.0
   66    57    62    63   0.20000  1.0 3.0
   66    57    62    64   0.56750  1.0 1.0
   66    57    62    64  -0.07550 -1.0 2.0
   66    57    62    64   0.20000  1.0 3.0
   66    57    62    65   0.56750  1.0 1.0
   66    57    62    65  -0.07550 -1.0 2.0
   66    57    62    65   0.20000  1.0 3.0
   67    66    68    69   2.45000 -1.0 2.0
   67    66    68    70   2.56700 -1.0 2.0
   42    39    41    44   0.23200  1.0 1.0
   42    39    41    44   0.02100 -1.0 2.0
   42    39    41    44   0.24950  1.0 3.0
   42    39    41    59   0.23200  1.0 1.0
   42    39    41    59   0.02100 -1.0 2.0
   42    39    41    59   0.24950  1.0 3.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    49   2.56700 -1.0 2.0
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
   67    68    66    57   1.00000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
   43    47    42    39   1.00000 -1.0 2.0
   42    49    47    48  10.50000 -1.0 2.0
END
