* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    108    162     311
    1     0 S   NP   _N1_     1    29.07634    93.53850   -23.55568
    2     1 S   H    _HN1     2     1.02788   101.05538   -91.86934
    3     1 S   H    _H1_     3     1.02931    91.89921    17.17350
    4     1 S   H    _H2_     4     1.02837    20.33911   156.34193
    5     1 S   CT   _CA1     5     1.50104   130.09949   136.26739
    6     5 S   HC   _HA1     6     1.09576   105.22989    66.84290
    7     5 S   CO3  _C1_     7     1.53781   112.39948   -53.38589
    8     7 S   O2Z  _O11     8     1.26351   115.03693   -45.75716
    9     7 S   O2Z  _O12     9     1.26230   114.91047   133.43830
   10     5 S   CT   _CB1    10     1.53068   107.42372  -175.28711
   11    10 S   HC   HB11    11     1.09823   109.34626   -50.82579
   12    10 S   HC   HB12    12     1.09816   110.43226    65.70870
   13    10 S   CT   _CG1    13     1.53031   112.63887  -171.92980
   14    13 S   HC   HG11    14     1.09595   110.39807   -62.96477
   15    13 S   HC   HG12    15     1.09639   110.07777    56.30776
   16    13 S   C    _CD1    16     1.51754   112.18800   176.61124
   17    16 S   O    _OE1    17     1.22739   123.18078    -4.77253
   18    16 S   N    _N2_    18     1.38691   111.76105   175.40833
   19    18 S   H    _HN2    19     1.01582   119.18837     1.30581
   20    18 S   CT1  _CA2    20     1.46089   123.07271  -178.29739
   21    20 S   HC   _HA2    21     1.09565   109.08811   -10.97592
   22    20 S   C    _C2_    22     1.53440   108.97711  -126.14817
   23    22 S   O    _O2_    23     1.23032   122.03339  -148.98881
   24    20 S   CT   _CB2    32     1.53539   111.86110   111.23038
   25    24 S   HC   HB21    33     1.09660   109.46940    65.04267
   26    24 S   HC   HB22    34     1.09574   110.88287  -177.70441
   27    22 S   N    _N3_    24     1.38446   113.49213    38.54933
   28    27 S   H    _HN3    25     1.01529   118.88296    -1.16231
   29    24 S   S    _SG2    35     1.82825   114.73425   -54.44010
   30    27 S   CT   _CA3    26     1.45468   123.69108   174.93198
   31    30 S   HC   HA31    27     1.09503   109.51991    18.22070
   32    30 S   HC   HA32    28     1.09501   107.05265   135.29236
   33    29 S   CT   _C13    36     1.82839   100.02464   -70.18254
   34    33 S   HC   _H10    37     1.09444   107.65530   -69.70293
   35    33 S   HC   _H11    38     1.09336   109.41166    48.13942
   36    30 S   CO3  _C3_    29     1.52918   112.92630  -105.43570
   37    36 S   O2Z  _O31    30     1.26415   115.35201   -44.96450
   38    36 S   O2Z  _O32    31     1.26342   115.01139   135.89248
   39    33 S   CT   _C11    39     1.53437   110.60142   168.38014
   40    39 S   HC   _H3_    40     1.09998   109.54887    51.95634
   41    39 S   C    _C12    41     1.53026   110.24849   168.64064
   42    41 S   O    _O35    42     1.22900   123.41256   -24.46610
   43    39 S   OS   _O34    53     1.42514   108.11770   -66.26161
   44    41 S   N    _N4_    43     1.37627   113.54100   160.50484
   45    44 S   H    _H9_    44     1.01794   119.35507   171.12859
   46    44 S   CA   _C8_    45     1.40276   122.40242   -11.54494
   47    46 S   CA   _C7_    46     1.40662   121.55143   174.88048
   48    47 S   CA   _C6_    47     1.40906   117.72887   178.01811
   49    48 S   HA   _H7_    48     1.08946   119.71948   179.89165
   50    47 S   CO3  _C14    59     1.51346   123.24522    -2.18642
   51    50 S   O2Z  _O37    60     1.27112   117.06489  -159.78216
   52    50 S   O2Z  _O36    61     1.27106   117.68321    20.35210
   53    48 S   CA   _C5_    49     1.40189   121.92221    -0.98695
   54    53 S   CA   _C10    50     1.39272   119.32342     0.39167
   55    54 S   HA   _H8_    51     1.08566   121.85438  -179.39187
   56    53 S   OS   _O33    54     1.37005   114.85763  -179.35837
   57    46 S   CA   _C9_    52     1.39915   118.06413    -7.46861
   58    56 S   CT   _C4_    55     1.42269   116.73096   178.51233
   59    58 S   HC   _H4_    56     1.09423   107.78730  -179.70792
   60    58 S   HC   _H5_    57     1.09492   111.17890    62.47472
   61    58 S   HC   _H6_    58     1.09474   110.93206   -62.04886
  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
   9   5   4   2   1   1   9   5   7   4   7   7   3  10   9  10
   4   4   1   1   8   4   2   5   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    44    57    43  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    46    54    57    43  
   41    42    44    57    43  
   42    44    45    46    47    57    43  
   44    45    46    43  
   44    46    47    53    54    55    57  
   45    46    47    48    54    57    50  
   46    47    57  
   47    48    49    53    54    55    57    50    51    52  
   48    49    53    54    57    56    50    51    52  
   49    53    54    55    57    56    58    50    51    52  
   53    54    56    50  
   51    52    53    57  
   52  
    0  
   54    55    57    56    58    59    60    61  
   55    57    56    58  
   57    56  
   58    59    60    61    57  
    0  
   59    60    61  
   60    61  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   320.000  1.410
   41    42   570.000  1.229
   41    44   490.000  1.335
   44    45   434.000  1.010
   44    46   360.000  1.404
   46    47   469.000  1.400
   46    57   469.000  1.400
   47    48   469.000  1.400
   47    50   400.000  1.490
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    43   450.000  1.364
   56    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   50    51   656.000  1.250
   50    52   656.000  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    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    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    44    70.00000  116.60000
   39    43    57    75.00000  111.00000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  119.80000
   41    44    46    65.00000  121.96500
   44    41    42    80.00000  122.90000
   44    46    47    70.00000  119.01900
   44    46    57    70.00000  119.01900
   46    44    45    45.00000  118.23600
   46    47    48    63.00000  120.00000
   46    47    50    85.00000  120.00000
   46    57    54    63.00000  120.00000
   46    57    43    70.00000  120.00000
   47    48    49    35.00000  120.00000
   47    48    53    63.00000  120.00000
   47    50    51    80.00000  120.40000
   47    50    52    80.00000  120.40000
   48    53    54    63.00000  120.00000
   48    53    56    70.00000  120.00000
   53    48    49    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    58    75.00000  111.00000
   54    57    43    70.00000  120.00000
   57    46    47    63.00000  120.00000
   57    54    55    35.00000  120.00000
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  108.55600
   56    53    54    70.00000  120.00000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   50    47    48    85.00000  120.00000
   52    50    51    80.00000  126.00000
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    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    44   1.39750  1.0 1.0
   33    39    41    44  -0.07950 -1.0 2.0
   33    39    41    44  -0.18750  1.0 3.0
   33    39    43    57  -0.32850  1.0 1.0
   33    39    43    57  -0.35800 -1.0 2.0
   33    39    43    57   0.33950  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    44    45   2.45000 -1.0 2.0
   39    41    44    46   0.76000  1.0 1.0
   39    41    44    46   4.11600 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    43    57   0.08050  1.0 3.0
   41    39    43    57  -0.25600  1.0 1.0
   41    39    43    57  -0.40050 -1.0 2.0
   41    39    43    57   0.34700  1.0 3.0
   41    44    46    47   1.00100  1.0 1.0
   41    44    46    47   0.85050 -1.0 2.0
   41    44   -46    57   1.00100  1.0 1.0
   41    44   -46    57   0.85050 -1.0 2.0
   42    41    44    45   2.45000 -1.0 2.0
   42    41    44    46   0.04000 -1.0 2.0
   44    46    47    48   3.62500 -1.0 2.0
   44    46    47    50   3.62500 -1.0 2.0
   44    46    57    54   3.62500 -1.0 2.0
   44    46    57    43   3.62500 -1.0 2.0
   45    44    46    47   0.97800 -1.0 2.0
   45    44    46    57   0.97800 -1.0 2.0
   46    47    48    49   3.62500 -1.0 2.0
   46    47    48    53   3.62500 -1.0 2.0
   46    47    50    51   1.05000 -1.0 2.0
   46    47    50    52   1.05000 -1.0 2.0
   46    57   -43    39   1.63200 -1.0 2.0
   47    46    57    54   3.62500 -1.0 2.0
   47    46    57    43   3.62500 -1.0 2.0
   47    48   -53    54   3.62500 -1.0 2.0
   47    48    53    56   3.62500 -1.0 2.0
   48    47    50    51   1.05000 -1.0 2.0
   48    47    50    52   1.05000 -1.0 2.0
   48    53    54    55   3.62500 -1.0 2.0
   48    53    54    57   3.62500 -1.0 2.0
   48    53    56    58   1.63200 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    56   3.62500 -1.0 2.0
   53    54   -57    46   3.62500 -1.0 2.0
   53    54    57    43   3.62500 -1.0 2.0
   53    56    58    59   0.08050  1.0 3.0
   53    56    58    60   0.08050  1.0 3.0
   53    56    58    61   0.08050  1.0 3.0
   54    53    56    58   1.63200 -1.0 2.0
   54    57    43    39   1.63200 -1.0 2.0
   55    54    57    46   3.62500 -1.0 2.0
   55    54    57    43   3.62500 -1.0 2.0
   57    46   -47    48   3.62500 -1.0 2.0
   57    46    47    50   3.62500 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39   -41    44   0.00000  1.0 1.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   50    47    48    49   3.62500 -1.0 2.0
   50    47    48    53   3.62500 -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
   37    30    36    38  10.50000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   45    41    44    46   1.00000 -1.0 2.0
   47    57    46    44   4.00000 -1.0 2.0
   48    50    47    46   4.00000 -1.0 2.0
   53    49    48    47   1.10000 -1.0 2.0
   54    56    53    48   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   54    43    57    46   4.00000 -1.0 2.0
   51    47    50    52  10.50000 -1.0 2.0
END
