* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    117    174     348
    1     0 S   NP   _N1_     1    28.71314    95.77561   -23.49537
    2     1 S   H    _HN1     2     1.02784   104.84750   -89.62742
    3     1 S   H    _H1_     3     1.02950    75.56237    15.93167
    4     1 S   H    _H2_     4     1.02829    34.81507   170.27059
    5     1 S   CT   _CA1     5     1.50108   137.36033   120.52071
    6     5 S   HC   _HA1     6     1.09572   105.20563    86.99670
    7     5 S   CO3  _C1_     7     1.53791   112.45669   -33.25228
    8     7 S   O2Z  _O11     8     1.26371   115.00796   -42.76534
    9     7 S   O2Z  _O12     9     1.26240   114.94747   136.39824
   10     5 S   CT   _CB1    10     1.53084   107.42517  -155.01798
   11    10 S   HC   HB11    11     1.09831   109.38350   -49.82848
   12    10 S   HC   HB12    12     1.09813   110.44058    66.78076
   13    10 S   CT   _CG1    13     1.52986   112.59947  -170.81686
   14    13 S   HC   HG11    14     1.09584   110.60859   -65.21104
   15    13 S   HC   HG12    15     1.09669   109.80756    54.01504
   16    13 S   C    _CD1    16     1.51799   112.26354   174.46976
   17    16 S   O    _OE1    17     1.22727   123.30137     5.76375
   18    16 S   N    _N2_    18     1.38653   111.63935  -174.33019
   19    18 S   H    _HN2    19     1.01580   118.93232     1.83024
   20    18 S   CT1  _CA2    20     1.46202   123.40945   177.71638
   21    20 S   HC   _HA2    21     1.09735   109.37801     1.90331
   22    20 S   C    _C2_    22     1.53538   108.57024  -113.58046
   23    22 S   O    _O2_    23     1.23053   122.30369  -147.74330
   24    20 S   CT   _CB2    32     1.53303   111.53858   123.93072
   25    24 S   HC   HB21    33     1.09515   110.06237    56.36374
   26    24 S   HC   HB22    34     1.09525   110.17690   175.36380
   27    22 S   N    _N3_    24     1.38339   113.68205    39.69755
   28    27 S   H    _HN3    25     1.01588   119.57916    -3.35445
   29    24 S   S    _SG2    35     1.82802   111.51645   -65.08450
   30    27 S   CT   _CA3    26     1.45286   123.20115   177.11127
   31    30 S   HC   HA31    27     1.09550   107.50770   -64.56912
   32    30 S   HC   HA32    28     1.09557   107.98630    51.86702
   33    29 S   CT   _C10    36     1.84895    99.40522   178.21875
   34    33 S   HC   _H5_    37     1.09726   107.76190    30.89714
   35    30 S   CO3  _C3_    29     1.52957   114.08607   173.85994
   36    35 S   O2Z  _O31    30     1.26375   116.06676    -0.86003
   37    35 S   O2Z  _O32    31     1.26429   114.41220   179.20426
   38    33 S   CT   _C11    38     1.54982   107.12125   -86.04415
   39    38 S   HC   _H13    39     1.09774   110.29658   -63.16130
   40    38 S   HC   _H14    40     1.09826   109.33683    51.25551
   41    33 S   CT   _C9_    52     1.55273   110.02841   149.45248
   42    41 S   HC   _H4_    53     1.09679   109.83045    65.31270
   43    38 S   NT   _N4_    41     1.47155   111.19046   172.36701
   44    41 S   CT   _C12    54     1.54124   115.38324   -54.64885
   45    44 S   HC   _H15    55     1.09601   110.85561  -164.67072
   46    44 S   HC   _H16    56     1.09487   110.70945    76.07328
   47    43 S   CT   _C5_    42     1.46870   113.66157   115.75573
   48    47 S   HC   _H9_    43     1.09775   108.95669   179.60983
   49    47 S   HC   _H10    44     1.09800   110.31462    63.05081
   50    44 S   OH   _O34    57     1.42136   111.31918   -44.16223
   51    50 S   HO   _H17    58     0.97230   107.15717  -179.53186
   52    43 S   CT   _C4_    61     1.46254   111.50884  -118.42078
   53    52 S   HC   _H6_    62     1.09595   110.53872    57.14941
   54    52 S   HC   _H7_    63     1.09593   112.02638   -64.04125
   55    52 S   HC   _H8_    64     1.09571   110.71805   174.83199
   56    47 S   CT   _C6_    45     1.53879   114.58006   -59.93771
   57    56 S   HC   _H11    46     1.09478   110.12464    70.37190
   58    56 S   HC   _H12    47     1.09824   106.93858  -175.11749
   59    56 S   CT   _C7_    48     1.52989   114.86689   -55.01032
   60    59 S   HC   _H3_    49     1.09583   109.33897   179.28701
   61    59 S   CO4  _C8_    50     1.53050   114.20249    58.98527
   62    61 S   O    _O33    51     1.23335   120.86342  -130.01766
   63    59 S   OH   _O35    59     1.42072   108.62210   -63.79595
   64    63 S   HO   _H18    60     0.97302   107.39886   179.21815
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   5   4  13   7  11   7   4   3  13   6
   5   2   1   4   2   1   1   8   5   4   5   4   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    61    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    59    61    62    41    42    44    45    46    50    52  
   38    39    40    43    61    41    42    44  
   36    37  
   37  
    0  
   39    40    43    47    48    49    56    61    41    42    44    52    53    54    55  
   40    43    47    41    52  
   43    47    41    52  
   42    44    45    46    50    51    63    43    56    59    60    61    62  
   44    45    46    50    59    61    62  
   47    48    49    56    57    58    59    52    53    54    55  
   45    46    50    51    59    61    62  
   46    50    51    61  
   50    51    61  
   48    49    56    57    58    59    60    61    63    52    53    54    55  
   49    56    57    58    59    52  
   56    57    58    59    52  
   51    61  
    0  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    64  
   58    59    60    61    63  
   59    60    61    63  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64  
   63  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   382.000  1.448
   43    47   382.000  1.448
   43    52   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   317.000  1.522
   59    63   320.000  1.410
   61    62   570.000  1.229
   61    41   317.000  1.522
   41    42   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    51   553.000  0.945
   63    64   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    56.20000  109.47000
   33    41    61    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    47    51.80000  107.20000
   38    43    52    51.80000  107.20000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    56    56.20000  109.47000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    59    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    63.00000  111.10000
   56    59    63    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    80.00000  120.40000
   59    61    41    70.00000  116.00000
   59    63    64    55.00000  108.50000
   61    59    60    35.00000  109.50000
   61    41    42    35.00000  109.50000
   61    41    44    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    61    62    80.00000  120.40000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    50    50.00000  109.50000
   44    41    42    37.50000  110.70000
   44    50    51    55.00000  108.50000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   63    59    60    35.00000  109.50000
   63    59    61    90.00000  109.61100
   52    43    47    51.80000  107.20000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    61   0.56750  1.0 1.0
   29    33    41    61  -0.07550 -1.0 2.0
   29    33    41    61   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   33    38    43    47   0.23450  1.0 1.0
   33    38    43    47   0.02050 -1.0 2.0
   33    38    43    47   0.25250  1.0 3.0
   33    38    43    52   0.23450  1.0 1.0
   33    38    43    52   0.02050 -1.0 2.0
   33    38    43    52   0.25250  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    50   0.86500  1.0 1.0
   33    41    44    50  -0.17500 -1.0 2.0
   33    41    44    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    61  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   38    33    41    61  -0.95700  1.0 1.0
   38    33    41    61  -0.18200 -1.0 2.0
   38    33    41    61   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    43    47    48   0.28000  1.0 3.0
   38    43    47    49   0.28000  1.0 3.0
   38    43    47    56   0.23450  1.0 1.0
   38    43    47    56   0.02050 -1.0 2.0
   38    43    47    56   0.25250  1.0 3.0
   38    43    52    53   0.28000  1.0 3.0
   38    43    52    54   0.28000  1.0 3.0
   38    43    52    55   0.28000  1.0 3.0
   39    38    43    47   0.28000  1.0 3.0
   39    38    43    52   0.28000  1.0 3.0
   40    38    43    47   0.28000  1.0 3.0
   40    38    43    52   0.28000  1.0 3.0
   43    47    56    57   0.15000  1.0 3.0
   43    47    56    58   0.15000  1.0 3.0
   43    47    56    59   1.53400  1.0 1.0
   43    47    56    59  -0.09950 -1.0 2.0
   43    47    56    59   0.05700  1.0 3.0
   47    43    52    53   0.28000  1.0 3.0
   47    43    52    54   0.28000  1.0 3.0
   47    43    52    55   0.28000  1.0 3.0
   47    56    59    60   0.15000  1.0 3.0
   47    56    59    61  -0.95700  1.0 1.0
   47    56    59    61  -0.18200 -1.0 2.0
   47    56    59    61   0.29450  1.0 3.0
   47    56    59    63   0.86500  1.0 1.0
   47    56    59    63  -0.17500 -1.0 2.0
   47    56    59    63   0.20800  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   48    47    56    59   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    58   0.15000  1.0 3.0
   49    47    56    59   0.15000  1.0 3.0
   56    59    61    62   0.30150 -1.0 2.0
   56    59    61    41   0.60050  1.0 1.0
   56    59    61    41   0.05600 -1.0 2.0
   56    59    61    41   0.26150  1.0 3.0
   56    59    63    64  -0.11600  1.0 1.0
   56    59    63    64  -0.09450 -1.0 2.0
   56    59    63    64   0.21250  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61  -0.11250  1.0 3.0
   57    56    59    63   0.23400  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61  -0.11250  1.0 3.0
   58    56    59    63   0.23400  1.0 3.0
   59    61    41    33   0.60050  1.0 1.0
   59    61    41    33   0.05600 -1.0 2.0
   59    61    41    33   0.26150  1.0 3.0
   59    61    41    42   0.00000  1.0 1.0
   59    61    41    44   0.60050  1.0 1.0
   59    61    41    44   0.05600 -1.0 2.0
   59    61    41    44   0.26150  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    41   0.00000  1.0 1.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64   0.91850  1.0 1.0
   61    59    63    64   0.57950  1.0 3.0
   61    41    44    45  -0.11250  1.0 3.0
   61    41    44    46  -0.11250  1.0 3.0
   61    41    44    50  -0.09450  1.0 1.0
   61    41    44    50  -1.12950 -1.0 2.0
   61    41    44    50   0.54000  1.0 3.0
   62    61    41    33   0.30150 -1.0 2.0
   62    61    41    42   0.00000  1.0 1.0
   62    61    41    44   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.53400  1.0 1.0
   41    33    38    43  -0.09950 -1.0 2.0
   41    33    38    43   0.05700  1.0 3.0
   41    44    50    51  -0.11600  1.0 1.0
   41    44    50    51  -0.09450 -1.0 2.0
   41    44    50    51   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    50   0.23400  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   46    44    50    51   0.19450  1.0 3.0
   63    59    61    62   0.30150 -1.0 2.0
   63    59    61    41   0.55300  1.0 1.0
   63    59    61    41   1.25850 -1.0 2.0
   63    59    61    41  -0.23600  1.0 3.0
   52    43    47    48   0.28000  1.0 3.0
   52    43    47    49   0.28000  1.0 3.0
   52    43    47    56   0.23450  1.0 1.0
   52    43    47    56   0.02050 -1.0 2.0
   52    43    47    56   0.25250  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
   36    30    35    37  10.50000 -1.0 2.0
   59    41    61    62  10.50000 -1.0 2.0
END
