* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    108    163     317
    1     0 S   NP   _N1_     1    28.25178    96.37883   -21.08575
    2     1 S   H    _HN1     2     1.02959    80.28106    16.66576
    3     1 S   H    _H1_     3     1.02834    40.31800   148.07722
    4     1 S   H    _H2_     4     1.02779    88.94520   -92.13514
    5     1 S   CT   _CA1     5     1.50120   150.19315   130.98784
    6     5 S   HC   _HA1     6     1.09578   105.22480    70.86756
    7     5 S   CO3  _C1_     7     1.53782   112.41079   -49.33383
    8     7 S   O2Z  _O11     8     1.26361   115.00007   -43.40422
    9     7 S   O2Z  _O12     9     1.26241   114.92028   135.77377
   10     5 S   CT   _CB1    10     1.53094   107.42516  -171.22479
   11    10 S   HC   HB11    11     1.09826   109.30927   -50.80924
   12    10 S   HC   HB12    12     1.09818   110.42297    65.73455
   13    10 S   CT   _CG1    13     1.53011   112.68756  -171.90893
   14    13 S   HC   HG11    14     1.09597   110.46283   -64.36874
   15    13 S   HC   HG12    15     1.09655   109.95740    54.85435
   16    13 S   C    _CD1    16     1.51822   112.32693   175.20025
   17    16 S   O    _OE1    17     1.22715   123.25713    -1.04324
   18    16 S   N    _N2_    18     1.38616   111.62192   179.24619
   19    18 S   H    _HN2    19     1.01570   118.99819     1.66836
   20    18 S   CT1  _CA2    20     1.46235   123.47609   179.72024
   21    20 S   HC   _HA2    21     1.09732   109.49851    -1.38748
   22    20 S   C    _C2_    22     1.53514   108.25210  -117.04934
   23    22 S   O    _O2_    23     1.23027   122.25712  -143.45344
   24    20 S   CT   _CB2    32     1.53468   111.46161   120.70855
   25    24 S   HC   HB21    33     1.09432   109.35221    56.26899
   26    24 S   HC   HB22    34     1.09418   109.60369   175.22940
   27    22 S   N    _N3_    24     1.38513   113.46085    43.68115
   28    27 S   H    _HN3    25     1.01496   118.96823    -0.41069
   29    24 S   S    _SG2    35     1.82904   111.30795   -64.95772
   30    27 S   CT   _CA3    26     1.45458   123.55176   175.40765
   31    30 S   HC   HA31    27     1.09515   109.43128    20.98511
   32    30 S   HC   HA32    28     1.09506   107.08186   138.00301
   33    29 S   CT   _C15    36     1.85172   101.95730   174.41026
   34    33 S   HC   _H3_    37     1.09824   106.07806   177.11310
   35    30 S   CO3  _C3_    29     1.52908   112.93663  -102.62948
   36    35 S   O2Z  _O31    30     1.26418   115.31654   -46.84296
   37    35 S   O2Z  _O32    31     1.26344   115.04140   134.05669
   38    33 S   CM   _C10    38     1.54513   111.42441    59.90418
   39    38 S   CM   _C11    39     1.47110   114.79215  -103.80880
   40    39 S   HC   _H12    40     1.08493   118.53881   164.50999
   41    38 S   CMA  _C9_    47     1.37059   121.46082    77.58616
   42    41 S   OM   _O33    48     1.26158   127.31792    -1.62293
   43    39 S   CM   _C12    41     1.34288   122.78638   -14.95968
   44    43 S   Cl   Cl2_    42     1.72738   120.48256  -179.84549
   45    41 S   NE   _N4_    49     1.40478   121.05644   176.50380
   46    45 S   H    _H11    50     1.01358   113.27559   -12.01314
   47    43 S   CM   _C13    43     1.44223   121.87385    -1.29377
   48    47 S   HC   _H13    44     1.08537   118.71410  -169.71650
   49    45 S   CT   _C5_    51     1.47168   133.80055   171.74296
   50    33 S   CM   _C14    45     1.51391   110.14882   -67.79348
   51    50 S   Cl   Cl1_    46     1.73070   117.15866   -71.47496
   52    49 S   CZ   _C7_    52     1.48946   107.28042  -173.31490
   53    49 S   CT   _C4_    55     1.53579   111.16054    69.19839
   54    53 S   HC   _H4_    56     1.09417   112.45330   -68.42556
   55    53 S   HC   _H5_    57     1.09698   111.21957    52.11188
   56    53 S   HC   _H6_    58     1.09704   111.18754   171.71281
   57    49 S   CT   _C6_    59     1.53654   111.70492   -55.82077
   58    57 S   HC   _H7_    60     1.09409   112.56754    69.45569
   59    57 S   HC   _H8_    61     1.09716   111.15897  -170.83743
   60    57 S   HC   _H9_    62     1.09699   111.22599   -51.27374
   61    52 S   CZ   _C8_    53     1.20121   179.87967     3.32543
   62    61 S   HC   _H10    54     1.06492   179.96574    28.33571
  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   8   5   4   3
  12   6   2   1   1  12   9   4   9   3   5   3  12   4   3   2
  11   1   1  10   8   3   2   1   4   2   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    50    51    41    42    45  
   38    39    47    50    51    41  
   36    37  
   37  
    0  
   39    40    43    44    47    50    51    41    42    45    46    49  
   40    43    44    47    48    50    41    42    45  
   43    44    47    41  
   42    45    46    49    52    53    57    43    50  
   45    46    49  
   44    47    48    50    51  
   47    48    50  
   46    49    52    61    53    54    55    56    57    58    59    60  
   49    52    53    57  
   48    50    51  
   50    51  
   52    61    62    53    54    55    56    57    58    59    60  
   51  
    0  
   61    62    53    54    55    56    57    58    59    60  
   54    55    56    57    58    59    60    61  
   55    56    57  
   56    57  
   57  
   58    59    60    61  
   59    60  
   60  
    0  
   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   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   45   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.235300   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   52   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   62   2.4200   0.0300   0.200000   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    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   317.000  1.510
   33    50   317.000  1.510
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    43   549.000  1.340
   43    44   300.000  1.725
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   300.000  1.725
   41    42   745.000  1.250
   41    45   415.000  1.382
   45    46   434.000  1.010
   45    49   382.000  1.448
   49    52   390.000  1.470
   49    53   268.000  1.529
   49    57   268.000  1.529
   52    61   985.000  1.221
   61    62   410.000  1.067
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    50    47    70.00000  124.00000
   33    50    51    75.00000  111.02000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    43    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    45    75.00000  114.40000
   39    43    44    75.00000  121.50000
   39    43    47    70.00000  123.01800
   43    39    40    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    50    70.00000  123.01800
   47    43    44    75.00000  121.50000
   47    50    51    75.00000  121.50000
   50    33    34    35.00000  109.50000
   50    33    38    70.00000  110.12100
   50    47    48    35.00000  120.00000
   41    38    39    70.00000  117.34000
   41    45    46    50.00000  121.48000
   41    45    49    50.00000  121.00000
   45    41    42   105.00000  113.92000
   45    49    52    80.00000  110.69000
   45    49    53    80.00000  111.61500
   45    49    57    80.00000  111.61500
   49    45    46    35.00000  112.50000
   49    52    61    30.00000  179.48800
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    60    37.50000  110.70000
   52    61    62    20.00000  179.85100
   53    49    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    49    52    58.35000  112.70000
   57    49    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    50    47   0.42700  1.0 1.0
   29    33    50    47  -0.70350 -1.0 2.0
   29    33    50    47  -0.43150  1.0 3.0
   29    33    50    51   0.09700  1.0 1.0
   29    33    50    51   0.15600 -1.0 2.0
   29    33    50    51  -0.50800  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    43  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    50    47   0.00000  1.0 1.0
   34    33    50    51   0.00000  1.0 1.0
   38    33    50    47  -0.28300  1.0 1.0
   38    33    50    47   0.26700 -1.0 2.0
   38    33    50    47  -0.63300  1.0 3.0
   38    33    50    51   0.09700  1.0 1.0
   38    33    50    51   0.15600 -1.0 2.0
   38    33    50    51  -0.50800  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    47   7.00000 -1.0 2.0
   38    41    45    46   1.00000 -1.0 2.0
   38    41    45    49  -0.54700  1.0 1.0
   38    41    45    49   1.23000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    43    47    48  -0.18600  1.0 3.0
   39    43    47    50   0.28850  1.0 1.0
   39    43    47    50   2.61350 -1.0 2.0
   39    43    47    50   0.78400  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47   -50    33   7.00000 -1.0 2.0
   43    47    50    51   7.00000 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    50  -0.18600  1.0 3.0
   48    47    50    33   7.00000 -1.0 2.0
   48    47    50    51   7.00000 -1.0 2.0
   50    33   -38    39  -0.28300  1.0 1.0
   50    33   -38    39   0.26700 -1.0 2.0
   50    33   -38    39  -0.63300  1.0 3.0
   50    33    38    41  -0.28300  1.0 1.0
   50    33    38    41   0.26700 -1.0 2.0
   50    33    38    41  -0.63300  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    43   0.28850  1.0 1.0
   41    38    39    43   2.61350 -1.0 2.0
   41    38    39    43   0.78400  1.0 3.0
   41    45    49    52  -0.12500  1.0 1.0
   41    45    49    52  -0.12500 -1.0 2.0
   41    45    49    52   0.25000  1.0 3.0
   41    45    49    53   0.25450  1.0 1.0
   41    45    49    53  -0.61700 -1.0 2.0
   41    45    49    53  -0.23550  1.0 3.0
   41    45    49    57   0.25450  1.0 1.0
   41    45    49    57  -0.61700 -1.0 2.0
   41    45    49    57  -0.23550  1.0 3.0
   42    41    45    46   1.00000 -1.0 2.0
   42    41    45    49   1.00000 -1.0 2.0
   45    49    52    61   0.00000  1.0 1.0
   45    49    53    54   0.22950  1.0 3.0
   45    49    53    55   0.22950  1.0 3.0
   45    49    53    56   0.22950  1.0 3.0
   45    49    57    58   0.22950  1.0 3.0
   45    49    57    59   0.22950  1.0 3.0
   45    49    57    60   0.22950  1.0 3.0
   46    45    49    52  -0.12500  1.0 1.0
   46    45    49    52  -0.12500 -1.0 2.0
   46    45    49    52   0.25000  1.0 3.0
   46    45    49    53   0.00000  1.0 1.0
   46    45    49    57   0.00000  1.0 1.0
   49    52    61    62   0.00000  1.0 1.0
   52    49    53    54   0.15000  1.0 3.0
   52    49    53    55   0.15000  1.0 3.0
   52    49    53    56   0.15000  1.0 3.0
   52    49    57    58   0.15000  1.0 3.0
   52    49    57    59   0.15000  1.0 3.0
   52    49    57    60   0.15000  1.0 3.0
   53    49    52    61   0.00000  1.0 1.0
   53    49    57    58   0.15000  1.0 3.0
   53    49    57    59   0.15000  1.0 3.0
   53    49    57    60   0.15000  1.0 3.0
   57    49    52    61   0.00000  1.0 1.0
   57    49    53    54   0.15000  1.0 3.0
   57    49    53    55   0.15000  1.0 3.0
   57    49    53    56   0.15000  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
   33    39    38    41   1.10000 -1.0 2.0
   38    40    39    43   1.10000 -1.0 2.0
   47    44    43    39   1.10000 -1.0 2.0
   43    48    47    50   1.10000 -1.0 2.0
   33    51    50    47   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   46    41    45    49   1.00000 -1.0 2.0
END
