* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    115    167     321
    1     0 S   NP   _N1_     1    29.34626    91.72847   -21.36348
    2     1 S   H    _HN1     2     1.02970   106.06119    21.26970
    3     1 S   H    _H1_     3     1.02833    21.07438   117.09465
    4     1 S   H    _H2_     4     1.02777    88.81158   -87.48443
    5     1 S   CT   _CA1     5     1.50154   128.26870   154.72509
    6     5 S   HC   _HA1     6     1.09572   105.29067    45.47489
    7     5 S   CO3  _C1_     7     1.53806   112.26633   -74.76197
    8     7 S   O2Z  _O11     8     1.26354   115.02096   -44.35453
    9     7 S   O2Z  _O12     9     1.26243   114.90633   134.75439
   10     5 S   CT   _CB1    10     1.53035   107.33819   163.34930
   11    10 S   HC   HB11    11     1.09821   109.33918   -51.15415
   12    10 S   HC   HB12    12     1.09782   110.24549    65.22402
   13    10 S   CT   _CG1    13     1.53084   112.91194  -172.45894
   14    13 S   HC   HG11    14     1.09582   110.26433   -60.59851
   15    13 S   HC   HG12    15     1.09605   110.30683    58.73709
   16    13 S   C    _CD1    16     1.51770   111.83141   178.86151
   17    16 S   O    _OE1    17     1.22773   123.02687   -15.27280
   18    16 S   N    _N2_    18     1.38634   112.05509   165.17420
   19    18 S   H    _HN2    19     1.01574   119.28752     3.52970
   20    18 S   CT1  _CA2    20     1.46085   122.97926  -175.56725
   21    20 S   HC   _HA2    21     1.09578   109.12183    -4.63975
   22    20 S   C    _C2_    22     1.53400   109.36304  -119.98994
   23    22 S   O    _O2_    23     1.23052   121.96797  -149.00037
   24    20 S   CT   _CB2    32     1.53627   111.79515   117.12472
   25    24 S   HC   HB21    33     1.09664   109.43313    68.98119
   26    24 S   HC   HB22    34     1.09579   110.75119  -173.91627
   27    22 S   N    _N3_    24     1.38427   113.63648    38.55817
   28    27 S   H    _HN3    25     1.01505   118.95616    -0.69492
   29    24 S   S    _SG2    35     1.82900   115.01031   -50.31405
   30    27 S   CT   _CA3    26     1.45443   123.41245   174.84490
   31    30 S   HC   HA31    27     1.09526   109.20188    25.44044
   32    30 S   HC   HA32    28     1.09494   107.14411   142.45292
   33    29 S   CT   _C12    36     1.82117   100.34643   -68.19678
   34    33 S   HC   _H15    37     1.09400   109.09434   -74.44669
   35    33 S   HC   _H16    38     1.09078   109.78933    44.60514
   36    30 S   CO3  _C3_    29     1.52926   113.09244   -97.99652
   37    36 S   O2Z  _O31    30     1.26403   115.39989   -44.68036
   38    36 S   O2Z  _O32    31     1.26353   114.98591   136.22675
   39    33 S   C3T  _C8_    39     1.49909   107.83023   166.11775
   40    39 S   HC   _H4_    40     1.08715   111.22194    57.55557
   41    39 S   C3T  _C7_    41     1.51353   119.71103   -87.40317
   42    41 S   HC   _H3_    42     1.08571   116.56531    -5.23577
   43    39 S   C3T  _C9_    43     1.52241   122.65108  -159.03748
   44    41 S   CM   _C6_    52     1.46901   119.01952   135.41803
   45    44 S   HC   _H8_    53     1.08887   115.22316   -24.29899
   46    43 S   CT   _C10    44     1.51071   116.75908  -140.79004
   47    46 S   HC   _H9_    45     1.09525   110.12886    91.12309
   48    46 S   HC   _H10    46     1.09505   112.63027   -28.71449
   49    46 S   HC   _H11    47     1.09505   110.31213  -149.49577
   50    43 S   CT   _C11    48     1.50889   120.20771     2.46172
   51    50 S   HC   _H12    49     1.09485   110.22961   -74.80347
   52    50 S   HC   _H13    50     1.09536   110.24586   165.78258
   53    50 S   HC   _H14    51     1.09444   112.72304    46.19292
   54    44 S   CM   _C5_    54     1.34703   127.12628   157.07913
   55    54 S   CT   _C4_    55     1.50306   121.22455   179.10869
   56    55 S   HC   _H5_    56     1.09486   110.22358   119.43427
   57    55 S   HC   _H6_    57     1.09483   110.27371  -120.78816
   58    55 S   HC   _H7_    58     1.09503   112.33816    -0.68557
   59    54 S   CT   _C13    59     1.50237   123.67691    -0.68671
   60    59 S   HC   _H17    60     1.09501   110.11382   120.03753
   61    59 S   HC   _H18    61     1.09493   110.12886  -120.40542
   62    59 S   HC   _H19    62     1.09375   113.02026    -0.16669
  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  15   6  11  12   3   7   3   2
   1   3   2   1   1   8   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    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    50    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    43    46    47    48    49    50    51    52    53    44    45    54  
   41    42    43    46    50    44  
   42    43    46    47    48    49    50    51    52    53    44    45    54    55    59  
   43    46    50    44    45    54  
   46    47    48    49    50    51    52    53    44    45    54  
   45    54    55    56    57    58    59    60    61    62    46    50  
   54    55    59  
   47    48    49    50    51    52    53  
   48    49    50  
   49    50  
   50  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    62  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   62   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    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   275.000  1.510
   39    40   340.000  1.088
   39    41   260.000  1.509
   39    43   260.000  1.509
   41    42   340.000  1.088
   41    43   260.000  1.509
   41    44   305.000  1.480
   43    46   275.000  1.510
   43    50   275.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   44    45   340.000  1.080
   44    54   549.000  1.340
   54    55   317.000  1.510
   54    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    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    40.00000  115.04500
   33    39    41    60.00000  120.94000
   33    39    43    60.00000  120.94000
   35    33    34    33.00000  107.80000
   39    33    34    45.00000  109.38400
   39    33    35    45.00000  109.38400
   39    41    42    37.50000  117.20000
   39    41    43    10.00000   60.00500
   39    41    44    60.00000  120.58800
   39    43    41    10.00000   60.00500
   39    43    46    60.00000  120.94000
   39    43    50    60.00000  120.94000
   41    39    40    37.50000  117.20000
   41    43    46    60.00000  120.94000
   41    43    50    60.00000  120.94000
   41    44    45    40.00000  117.24000
   41    44    54    55.00000  125.06700
   43    39    40    37.50000  117.20000
   43    39    41    10.00000   60.00500
   43    41    42    37.50000  117.20000
   43    46    47    45.00000  109.38400
   43    46    48    45.00000  109.38400
   43    46    49    45.00000  109.38400
   43    50    51    45.00000  109.38400
   43    50    52    45.00000  109.38400
   43    50    53    45.00000  109.38400
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    43    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   44    41    42    40.00000  112.45000
   44    41    43    60.00000  120.58800
   44    54    55    70.00000  124.00000
   44    54    59    70.00000  124.00000
   54    44    45    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    54    55    65.00000  117.92700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    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    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39   -41    43   0.07850  1.0 1.0
   33    39   -41    43  -0.03950 -1.0 2.0
   33    39   -41    43   0.67350  1.0 3.0
   33    39    41    44   0.34400  1.0 1.0
   33    39    41    44   0.09450 -1.0 2.0
   33    39    41    44   0.11100  1.0 3.0
   33    39   -43    41   0.07850  1.0 1.0
   33    39   -43    41  -0.03950 -1.0 2.0
   33    39   -43    41   0.67350  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   33    39    43    50   0.56750  1.0 1.0
   33    39    43    50  -0.07550 -1.0 2.0
   33    39    43    50   0.20000  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    43   0.15000  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    43   0.15000  1.0 3.0
   39    41   -43    46   0.07850  1.0 1.0
   39    41   -43    46  -0.03950 -1.0 2.0
   39    41   -43    46   0.67350  1.0 3.0
   39    41   -43    50   0.07850  1.0 1.0
   39    41   -43    50  -0.03950 -1.0 2.0
   39    41   -43    50   0.67350  1.0 3.0
   39    41    44    45   0.00000  1.0 1.0
   39    41    44    54   0.09850  1.0 1.0
   39    41    44    54   0.15250 -1.0 2.0
   39    41    44    54  -0.50650  1.0 3.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    49   0.15000  1.0 3.0
   39    43    50    51   0.15000  1.0 3.0
   39    43    50    52   0.15000  1.0 3.0
   39    43    50    53   0.15000  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    44   0.15000  1.0 3.0
   40    39   -43    41   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   40    39    43    50   0.15000  1.0 3.0
   41    39   -43    46   0.07850  1.0 1.0
   41    39   -43    46  -0.03950 -1.0 2.0
   41    39   -43    46   0.67350  1.0 3.0
   41    39   -43    50   0.07850  1.0 1.0
   41    39   -43    50  -0.03950 -1.0 2.0
   41    39   -43    50   0.67350  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    49   0.15000  1.0 3.0
   41    43    50    51   0.15000  1.0 3.0
   41    43    50    52   0.15000  1.0 3.0
   41    43    50    53   0.15000  1.0 3.0
   41    44    54    55   7.00000 -1.0 2.0
   41    44    54    59   7.00000 -1.0 2.0
   42    41   -43    39   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    50   0.15000  1.0 3.0
   42    41    44    45   0.33100  1.0 3.0
   42    41    44    54   0.00000  1.0 1.0
   43    39   -41    42   0.15000  1.0 3.0
   43    39   -41    44   0.34400  1.0 1.0
   43    39   -41    44   0.09450 -1.0 2.0
   43    39   -41    44   0.11100  1.0 3.0
   43    41    44    45   0.00000  1.0 1.0
   43    41    44    54   0.09850  1.0 1.0
   43    41    44    54   0.15250 -1.0 2.0
   43    41    44    54  -0.50650  1.0 3.0
   46    43    50    51   0.15000  1.0 3.0
   46    43    50    52   0.15000  1.0 3.0
   46    43    50    53   0.15000  1.0 3.0
   50    43    46    47   0.15000  1.0 3.0
   50    43    46    48   0.15000  1.0 3.0
   50    43    46    49   0.15000  1.0 3.0
   44    41   -43    39   0.34400  1.0 1.0
   44    41   -43    39   0.09450 -1.0 2.0
   44    41   -43    39   0.11100  1.0 3.0
   44    41    43    46   0.34400  1.0 1.0
   44    41    43    46   0.09450 -1.0 2.0
   44    41    43    46   0.11100  1.0 3.0
   44    41    43    50   0.34400  1.0 1.0
   44    41    43    50   0.09450 -1.0 2.0
   44    41    43    50   0.11100  1.0 3.0
   44    54    55    56   0.00000  1.0 1.0
   44    54    55    57   0.00000  1.0 1.0
   44    54    55    58   0.00000  1.0 1.0
   44    54    59    60   0.00000  1.0 1.0
   44    54    59    61   0.00000  1.0 1.0
   44    54    59    62   0.00000  1.0 1.0
   45    44    54    55   7.00000 -1.0 2.0
   45    44    54    59   7.00000 -1.0 2.0
   55    54    59    60   0.34800  1.0 3.0
   55    54    59    61   0.34800  1.0 3.0
   55    54    59    62   0.34800  1.0 3.0
   59    54    55    56   0.34800  1.0 3.0
   59    54    55    57   0.34800  1.0 3.0
   59    54    55    58   0.34800  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
   37    30    36    38  10.50000 -1.0 2.0
   41    45    44    54  15.00000 -1.0 2.0
   55    59    54    44  15.00000 -1.0 2.0
END
