* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    118    186     341
    1     0 S   NP   _N1_     1    29.08201    95.20981   -19.91607
    2     1 S   H    _HN1     2     1.02779    78.88259   -78.05894
    3     1 S   H    _H1_     3     1.02961    94.20892    29.79692
    4     1 S   H    _H2_     4     1.02839    37.92540   142.37675
    5     1 S   CT   _CA1     5     1.50099   146.62466   168.19929
    6     5 S   HC   _HA1     6     1.09568   105.29497    42.57568
    7     5 S   CO3  _C1_     7     1.53876   112.29456   -77.77158
    8     7 S   O2Z  _O11     8     1.26356   115.02782   -45.33248
    9     7 S   O2Z  _O12     9     1.26236   114.92948   133.89574
   10     5 S   CT   _CB1    10     1.53099   107.44013   160.57739
   11    10 S   HC   HB11    11     1.09817   109.59961   -49.93354
   12    10 S   HC   HB12    12     1.09814   110.28360    66.62996
   13    10 S   CT   _CG1    13     1.52990   112.57145  -170.99455
   14    13 S   HC   HG11    14     1.09552   110.39229   -57.83877
   15    13 S   HC   HG12    15     1.09623   110.13586    61.25523
   16    13 S   C    _CD1    16     1.51801   112.21574  -178.37659
   17    16 S   O    _OE1    17     1.22711   123.23072   -11.90693
   18    16 S   N    _N2_    18     1.38555   111.59216   168.54207
   19    18 S   H    _HN2    19     1.01590   118.96006     1.71041
   20    18 S   CT1  _CA2    20     1.46252   123.58962  -177.63363
   21    20 S   HC   _HA2    21     1.09725   109.50277   -13.31889
   22    20 S   C    _C2_    22     1.53406   108.16166  -129.09014
   23    22 S   O    _O2_    23     1.23006   122.29463  -144.87936
   24    20 S   CT   _CB2    32     1.53527   110.98329   108.94555
   25    24 S   HC   HB21    33     1.09341   109.03979    53.42699
   26    24 S   HC   HB22    34     1.09497   110.54340   171.88981
   27    22 S   N    _N3_    24     1.38524   113.31935    42.43907
   28    27 S   H    _HN3    25     1.01528   118.92421    -0.52302
   29    24 S   S    _SG2    35     1.83089   111.33386   -69.11844
   30    27 S   CT   _CA3    26     1.45449   123.42266   175.16341
   31    30 S   HC   HA31    27     1.09525   109.21416    24.80995
   32    30 S   HC   HA32    28     1.09495   107.12520   141.80837
   33    29 S   CT   _C5_    36     1.85872   102.78648   153.33492
   34    30 S   CO3  _C3_    29     1.52927   113.14042   -98.65358
   35    34 S   O2Z  _O31    30     1.26401   115.41604   -44.21697
   36    34 S   O2Z  _O32    31     1.26357   114.97597   136.72790
   37    33 S   CT   _C6_    37     1.56419   108.37960   167.34929
   38    37 S   HC   _H8_    38     1.09644   112.06394     6.82363
   39    37 S   HC   _H9_    39     1.09708   110.35981  -111.82945
   40    33 S   CT   _C4_    58     1.54045   108.72941    48.70466
   41    40 S   HC   _H5_    59     1.09482   112.44194   -71.19698
   42    40 S   HC   _H6_    60     1.09547   111.37923   169.95188
   43    40 S   HC   _H7_    61     1.09640   111.66823    51.03668
   44    37 S   CO4  _C7_    40     1.53226   114.37199   127.75855
   45    44 S   O    _O33    41     1.23393   120.25566   174.24698
   46    44 S   C4T  _C8_    42     1.56862   115.18202    -6.25708
   47    46 S   HC   _H3_    43     1.09441   112.77659   179.40521
   48    46 S   C4T  _C9_    44     1.55545   110.49602    49.62146
   49    48 S   HC   _H10    45     1.09329   115.48214    37.50324
   50    48 S   HC   _H11    46     1.09450   115.74474   162.69994
   51    46 S   C4T  _C11    49     1.58154   114.78014   -46.10409
   52    33 S   C4T  _C10    47     1.55395   108.62776   -71.34519
   53    52 S   HC   _H4_    48     1.09628   112.73675    59.47345
   54    51 S   CT   _C12    50     1.53126   114.61927   -43.46284
   55    54 S   HC   _H12    51     1.09421   110.68992   167.08615
   56    54 S   HC   _H13    52     1.09034   113.93451    45.75938
   57    54 S   HC   _H14    53     1.09621   110.49162   -73.86040
   58    51 S   CT   _C13    54     1.54258   116.31584  -169.46163
   59    58 S   HC   _H15    55     1.09573   110.28108  -170.06156
   60    58 S   HC   _H16    56     1.09576   110.56882    70.60595
   61    58 S   HC   _H17    57     1.09241   113.79292   -50.00007
  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  13   5   4   3
  18   2   1   1  14   6   5   8   3   2   1  10   4  15   7   7
   4   3  10   9   2   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    52    53    51    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    49    50    52    53    51    54    58    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    52    53    51    40    41    42    43  
   39    44    45    46    52    40  
   44    45    46    52    40  
   41    42    43    44    48    51    52    53  
   42    43    52  
   43    52  
   52  
   45    46    47    48    49    50    52    51    54    58  
   46    47    48    51  
   47    48    49    50    52    53    51    54    55    56    57    58    59    60    61  
   48    49    50    52    51    54    58  
   49    50    52    53    51    54    58  
   50    52    53    51  
   52    53    51  
   54    55    56    57    58    59    60    61    52    53  
   53    54    55    56    57    58    59    60    61  
   54    58  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    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   0.226300   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.447300   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.037300   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.118800   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  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   260.000  1.519
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   265.000  1.493
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    51   268.000  1.529
   51    54   260.000  1.519
   51    58   260.000  1.519
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    52    48    65.00000  119.52000
   33    52    53    45.00000  112.72800
   33    52    51    65.00000  119.52000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    40.00000  111.84800
   44    46    48    80.00000  115.07000
   44    46    51    80.00000  115.07000
   46    44    45    65.00000  127.62700
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    52    63.00000   92.00000
   46    51    52    63.00000   92.00000
   46    51    54    65.00000  119.52000
   46    51    58    65.00000  119.52000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    51    63.00000   92.00000
   50    48    49    33.00000  107.80000
   52    33    37    70.00000  112.98000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    51    54    65.00000  119.52000
   52    51    58    65.00000  119.52000
   51    46    47    37.50000  110.70000
   51    46    48    63.00000   92.00000
   51    52    53    37.50000  110.70000
   51    54    55    45.00000  111.22300
   51    54    56    45.00000  111.22300
   51    54    57    45.00000  111.22300
   51    58    59    45.00000  111.22300
   51    58    60    45.00000  111.22300
   51    58    61    45.00000  111.22300
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    70.00000  112.98000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    51   0.44750  1.0 1.0
   29    33    52    51  -0.17800 -1.0 2.0
   29    33    52    51   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    46   0.60050  1.0 1.0
   33    37    44    46   0.05600 -1.0 2.0
   33    37    44    46   0.26150  1.0 3.0
   33    52   -51    46  -0.70950  1.0 1.0
   33    52   -51    46   0.38400 -1.0 2.0
   33    52    51    54   0.56750  1.0 1.0
   33    52    51    54  -0.07550 -1.0 2.0
   33    52    51    54   0.20000  1.0 3.0
   33    52    51    58   0.56750  1.0 1.0
   33    52    51    58  -0.07550 -1.0 2.0
   33    52    51    58   0.20000  1.0 3.0
   37    33    52    48   0.04050  1.0 1.0
   37    33    52    48   0.63700 -1.0 2.0
   37    33    52    48   0.17650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    51   0.04050  1.0 1.0
   37    33    52    51   0.63700 -1.0 2.0
   37    33    52    51   0.17650  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.00000  1.0 1.0
   37    44   -46    48   0.60050  1.0 1.0
   37    44   -46    48   0.05600 -1.0 2.0
   37    44   -46    48   0.26150  1.0 3.0
   37    44   -46    51   0.60050  1.0 1.0
   37    44   -46    51   0.05600 -1.0 2.0
   37    44   -46    51   0.26150  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    46   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    46   0.00000  1.0 1.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    52   0.00000  1.0 1.0
   44    46   -51    52   0.00000  1.0 1.0
   44    46    51    54  -0.95700  1.0 1.0
   44    46    51    54  -0.18200 -1.0 2.0
   44    46    51    54   0.29450  1.0 3.0
   44    46    51    58  -0.95700  1.0 1.0
   44    46    51    58  -0.18200 -1.0 2.0
   44    46    51    58   0.29450  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48  -0.11250  1.0 1.0
   45    44    46    48   0.11400 -1.0 2.0
   45    44    46    48  -0.28950  1.0 3.0
   45    44    46    51  -0.11250  1.0 1.0
   45    44    46    51   0.11400 -1.0 2.0
   45    44    46    51  -0.28950  1.0 3.0
   46    48   -52    33  -0.70950  1.0 1.0
   46    48   -52    33   0.38400 -1.0 2.0
   46    48    52    53   0.15000  1.0 3.0
   46    48   -52    51   0.00000  1.0 1.0
   46    51    54    55   0.00000  1.0 1.0
   46    51    54    56   0.00000  1.0 1.0
   46    51    54    57   0.00000  1.0 1.0
   46    51    58    59   0.00000  1.0 1.0
   46    51    58    60   0.00000  1.0 1.0
   46    51    58    61   0.00000  1.0 1.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46   -51    52   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   47    46    51    58   0.15000  1.0 3.0
   48    46   -51    52   0.00000  1.0 1.0
   48    46    51    54  -0.70950  1.0 1.0
   48    46    51    54   0.38400 -1.0 2.0
   48    46    51    58  -0.70950  1.0 1.0
   48    46    51    58   0.38400 -1.0 2.0
   48    52   -51    46   0.00000  1.0 1.0
   48    52   -51    54  -0.70950  1.0 1.0
   48    52   -51    54   0.38400 -1.0 2.0
   48    52   -51    58  -0.70950  1.0 1.0
   48    52   -51    58   0.38400 -1.0 2.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    51   0.15000  1.0 3.0
   50    48    52    33   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    51   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44  -0.95700  1.0 1.0
   52    33   -37    44  -0.18200 -1.0 2.0
   52    33   -37    44   0.29450  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    60   0.00000  1.0 1.0
   52    51    58    61   0.00000  1.0 1.0
   53    52   -51    46   0.15000  1.0 3.0
   53    52    51    54   0.15000  1.0 3.0
   53    52    51    58   0.15000  1.0 3.0
   51    46   -48    49   0.15000  1.0 3.0
   51    46   -48    50   0.15000  1.0 3.0
   51    46   -48    52   0.00000  1.0 1.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    57   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    52    48   0.04050  1.0 1.0
   40    33    52    48   0.63700 -1.0 2.0
   40    33    52    48   0.17650  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    51   0.04050  1.0 1.0
   40    33    52    51   0.63700 -1.0 2.0
   40    33    52    51   0.17650  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    46    44    45  10.50000 -1.0 2.0
END
