* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     96    148     284
    1     0 S   NP   _N1_     1    29.17664    93.81516   -23.32818
    2     1 S   H    _HN1     2     1.02784   100.45114   -96.52872
    3     1 S   H    _H1_     3     1.02955    89.85217    12.08410
    4     1 S   H    _H2_     4     1.02835    22.77963   151.97657
    5     1 S   CT   _CA1     5     1.50101   132.26328   130.08703
    6     5 S   HC   _HA1     6     1.09568   105.26778    68.20305
    7     5 S   CO3  _C1_     7     1.53805   112.33029   -52.16737
    8     7 S   O2Z  _O11     8     1.26371   115.00793   -45.29328
    9     7 S   O2Z  _O12     9     1.26230   114.93149   133.88953
   10     5 S   CT   _CB1    10     1.53056   107.43196  -173.76734
   11    10 S   HC   HB11    11     1.09828   109.48639   -49.62062
   12    10 S   HC   HB12    12     1.09836   110.39062    66.96902
   13    10 S   CT   _CG1    13     1.53022   112.61354  -170.63443
   14    13 S   HC   HG11    14     1.09588   110.50813   -61.74622
   15    13 S   HC   HG12    15     1.09639   110.03915    57.60747
   16    13 S   C    _CD1    16     1.51707   112.06351   178.04225
   17    16 S   O    _OE1    17     1.22746   123.10555    -1.40737
   18    16 S   N    _N2_    18     1.38574   111.80120   178.21403
   19    18 S   H    _HN2    19     1.01567   119.12649     2.64138
   20    18 S   CT1  _CA2    20     1.46183   123.26345  -178.75416
   21    20 S   HC   _HA2    21     1.09530   109.33269    -4.09462
   22    20 S   C    _C2_    22     1.53440   108.42267  -119.15340
   23    22 S   O    _O2_    23     1.23032   122.46466  -146.19008
   24    20 S   CT   _CB2    32     1.53414   111.75872   118.36628
   25    24 S   HC   HB21    33     1.09678   109.36641    66.36185
   26    24 S   HC   HB22    34     1.09537   110.82017  -176.90794
   27    22 S   N    _N3_    24     1.38412   113.47678    40.98147
   28    27 S   H    _HN3    25     1.01611   119.47028    -3.08255
   29    24 S   S    _SG2    35     1.83262   115.03886   -52.66297
   30    27 S   CT   _CA3    26     1.45259   123.09913   176.97832
   31    30 S   HC   HA31    27     1.09554   107.46189   -64.91272
   32    30 S   HC   HA32    28     1.09558   108.01501    51.48651
   33    29 S   CT   _C10    36     1.84549   100.85388   -65.25676
   34    33 S   HC   _H4_    37     1.09019   107.40328    48.20409
   35    30 S   CO3  _C3_    29     1.52923   114.17440   173.47592
   36    35 S   O2Z  _O31    30     1.26363   116.10549    -2.57413
   37    35 S   O2Z  _O32    31     1.26436   114.39773   177.53772
   38    33 S   CM   _C8_    38     1.52927   107.85550   164.56967
   39    33 S   CM   _C11    52     1.50535   108.85321   -70.37421
   40    39 S   HC   _H8_    53     1.09092   117.85568   -45.50380
   41    38 S   CM   _C7_    39     1.34652   123.01906    96.12574
   42    41 S   HC   _H6_    40     1.08418   122.45279     0.58983
   43    39 S   CMA  _C12    54     1.51489   122.90481   134.61214
   44    43 S   OM   _O35    55     1.26206   119.32938  -174.21609
   45    43 S   OM   _O36    56     1.26164   122.26198     6.00123
   46    41 S   CO4  _C6_    41     1.48035   122.03908  -178.05439
   47    46 S   O    _O33    42     1.22731   121.09343  -179.08123
   48    46 S   CM   _C5_    43     1.48163   117.94780     1.77443
   49    48 S   CM   _C4_    44     1.33625   119.83800    -2.41306
   50    49 S   HC   _H5_    45     1.08740   118.88221  -179.75611
   51    48 S   OH   _O37    50     1.37807   118.64239   177.90566
   52    51 S   HO   _H9_    51     0.97434   106.68885     0.40974
   53    38 S   CT   _C9_    46     1.51920   115.71917   -83.29963
   54    53 S   HC   _H3_    47     1.09635   109.93127    54.84445
   55    53 S   OH   _O34    48     1.42535   110.04852   -64.42042
   56    55 S   HO   _H7_    49     0.97398   107.78640    81.93557
  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
  14   6   2   1   1  14   6   3   9   4   2   1   1   7   3   7
   7   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    53    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    53    54    55    39    40    43    44    45  
   38    41    53    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    49    50    53    54    55    56    39    40    43  
   40    43    44    45    41    53  
   43    44    45  
   42    46    47    48    49    53    54    55    51  
   46    47    48    53  
   44    45  
   45  
    0  
   47    48    49    50    53    51    52  
   48    49    51  
   49    50    53    54    55    51    52  
   50    53    54    55    56    51    52  
   53    54    55    51  
   52    53  
    0  
   54    55    56  
   55    56  
   56  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.716200   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   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   317.000  1.510
   33    39   317.000  1.510
   38    41   549.000  1.340
   38    53   317.000  1.510
   41    42   340.000  1.080
   41    46   320.000  1.462
   46    47   570.000  1.229
   46    48   320.000  1.462
   48    49   549.000  1.340
   48    51   510.000  1.338
   49    50   340.000  1.080
   49    53   317.000  1.510
   53    54   340.000  1.090
   53    55   320.000  1.410
   55    56   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
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    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    53    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    65.00000  118.96000
   38    53    49    70.00000  110.12100
   38    53    54    35.00000  109.50000
   38    53    55    90.00000  110.39200
   41    46    47    80.00000  123.72100
   41    46    48    65.00000  118.65900
   46    41    42    40.00000  117.72500
   46    48    49    65.00000  118.96000
   46    48    51    85.00000  116.28000
   48    46    47    80.00000  123.72100
   48    49    50    35.00000  120.00000
   48    49    53    70.00000  124.00000
   48    51    52    70.00000  107.45700
   49    53    54    35.00000  109.50000
   49    53    55    90.00000  110.39200
   53    38    41    70.00000  124.00000
   53    49    50    35.00000  117.00000
   53    55    56    55.00000  108.50000
   55    53    54    35.00000  109.50000
   51    48    49    80.00000  121.38400
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    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    38    53   0.30250  1.0 1.0
   29    33    38    53  -0.14950 -1.0 2.0
   29    33    38    53   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    53    49   0.09700  1.0 1.0
   33    38    53    49   0.15600 -1.0 2.0
   33    38    53    49  -0.50800  1.0 3.0
   33    38    53    54   0.34800  1.0 3.0
   33    38    53    55   0.18000  1.0 1.0
   33    38    53    55   0.16450 -1.0 2.0
   33    38    53    55   0.04450  1.0 3.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    53   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43  -0.28300  1.0 1.0
   38    33    39    43   0.26700 -1.0 2.0
   38    33    39    43  -0.63300  1.0 3.0
   38    41    46    47   1.00000 -1.0 2.0
   38    41    46    48  -1.18350  1.0 1.0
   38    41    46    48   1.45950 -1.0 2.0
   38    53    55    56  -0.07800  1.0 1.0
   38    53    55    56  -0.21500 -1.0 2.0
   38    53    55    56  -0.03150  1.0 3.0
   41    38    53    49  -0.28300  1.0 1.0
   41    38    53    49   0.26700 -1.0 2.0
   41    38    53    49  -0.63300  1.0 3.0
   41    38    53    54   0.00000  1.0 1.0
   41    38    53    55   0.67800  1.0 1.0
   41    38    53    55   0.47050 -1.0 2.0
   41    38    53    55  -0.62500  1.0 3.0
   41    46   -48    49  -1.18350  1.0 1.0
   41    46   -48    49   1.45950 -1.0 2.0
   41    46    48    51   1.50000 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.93700 -1.0 2.0
   46    48    49    50   7.00000 -1.0 2.0
   46    48    49    53   7.00000 -1.0 2.0
   46    48    51    52   2.00000 -1.0 2.0
   47    46    48    49   1.00000 -1.0 2.0
   47    46    48    51  -0.11900  1.0 1.0
   47    46    48    51   0.76850 -1.0 2.0
   47    46    48    51   0.14100  1.0 3.0
   48    49   -53    38  -0.28300  1.0 1.0
   48    49   -53    38   0.26700 -1.0 2.0
   48    49   -53    38  -0.63300  1.0 3.0
   48    49    53    54   0.00000  1.0 1.0
   48    49    53    55   0.67800  1.0 1.0
   48    49    53    55   0.47050 -1.0 2.0
   48    49    53    55  -0.62500  1.0 3.0
   49    48    51    52  -0.66100  1.0 1.0
   49    48    51    52   1.20850 -1.0 2.0
   49    48    51    52  -0.36000  1.0 3.0
   49    53    55    56  -0.07800  1.0 1.0
   49    53    55    56  -0.21500 -1.0 2.0
   49    53    55    56  -0.03150  1.0 3.0
   50    49    53    38   0.00000  1.0 1.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    55   0.00000  1.0 1.0
   53    38    41    42   7.00000 -1.0 2.0
   53    38   -41    46   7.00000 -1.0 2.0
   54    53    55    56   0.19450  1.0 3.0
   51    48    49    50   7.00000 -1.0 2.0
   51    48    49    53   7.00000 -1.0 2.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    53   0.09700  1.0 1.0
   39    33    38    53   0.15600 -1.0 2.0
   39    33    38    53  -0.50800  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    53    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   41    48    46    47  10.50000 -1.0 2.0
   46    51    48    49   1.10000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
