* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    102    155     305
    1     0 S   NP   _N1_     1    29.13000    93.34710   -22.07490
    2     1 S   H    _HN1     2     1.02796    83.60081  -120.84879
    3     1 S   H    _H1_     3     1.02863    97.80573   -13.28570
    4     1 S   H    _H2_     4     1.02964    30.91939    97.53876
    5     1 S   CT   _CA1     5     1.50440   139.04391   122.55834
    6     5 S   HC   _HA1     6     1.09679   104.74655    49.90009
    7     5 S   CO3  _C1_     7     1.54570   110.88668   -66.33627
    8     7 S   O2Z  _O11     8     1.26118   116.70832  -116.08213
    9     7 S   O2Z  _O12     9     1.26541   113.72074    62.68113
   10     5 S   CT   _CB1    10     1.53062   107.10626   166.13481
   11    10 S   HC   HB11    11     1.09826   110.29912   -42.99756
   12    10 S   HC   HB12    12     1.09746   109.83639    73.48441
   13    10 S   CT   _CG1    13     1.53100   112.20116  -163.54922
   14    13 S   HC   HG11    14     1.09551   110.88306   -48.16277
   15    13 S   HC   HG12    15     1.09633   109.91086    70.69670
   16    13 S   C    _CD1    16     1.51673   112.16291  -168.69361
   17    16 S   O    _OE1    17     1.22729   123.28328    -7.66334
   18    16 S   N    _N2_    18     1.38650   111.74431   172.13139
   19    18 S   H    _HN2    19     1.01560   119.18662     5.70358
   20    18 S   CT1  _CA2    20     1.46023   123.17435  -173.59244
   21    20 S   HC   _HA2    21     1.09622   109.12587     5.34353
   22    20 S   C    _C2_    22     1.53453   109.65746  -110.34690
   23    22 S   O    _O2_    23     1.23074   121.92371  -146.75643
   24    20 S   CT   _CB2    32     1.53580   111.54492   126.73813
   25    24 S   HC   HB21    33     1.09664   109.56214    70.58974
   26    24 S   HC   HB22    34     1.09584   110.54972  -172.39785
   27    22 S   N    _N3_    24     1.38409   113.81540    40.68369
   28    27 S   H    _HN3    25     1.01469   119.10020     0.05595
   29    24 S   S    _SG2    35     1.83030   115.36510   -48.88586
   30    27 S   CT   _CA3    26     1.45452   123.31795   175.33994
   31    30 S   HC   HA31    27     1.09530   109.16138    26.58062
   32    30 S   HC   HA32    28     1.09496   107.15227   143.54237
   33    29 S   CT   _C9_    36     1.83053   100.30331   -62.14140
   34    33 S   HC   _H9_    37     1.09524   106.33750   -60.26882
   35    33 S   HC   _H10    38     1.09301   109.07637    56.62729
   36    30 S   CO3  _C3_    29     1.52915   113.10464   -96.85735
   37    36 S   O2Z  _O31    30     1.26399   115.37643   -46.27538
   38    36 S   O2Z  _O32    31     1.26353   115.01013   134.66396
   39    33 S   CT   _C7_    39     1.54926   113.16518   178.86962
   40    39 S   CT   _C6_    40     1.54951   109.23306  -178.83921
   41    40 S   HC   _H4_    41     1.09812   108.45046    56.33588
   42    39 S   OH   _O35    56     1.43609   107.87843    63.41701
   43    42 S   HO   _H11    57     0.97285   107.50469   -57.49290
   44    40 S   CT   _C5_    42     1.53292   112.71744   175.62449
   45    44 S   HC   _H3_    43     1.09564   109.89181  -172.90408
   46    40 S   OH   _O36    54     1.42753   110.70611   -60.07507
   47    46 S   HO   _H12    55     0.97197   107.78538  -172.80140
   48    44 S   CT   _C4_    44     1.52430   110.06563   -51.12320
   49    48 S   HC   _H6_    45     1.09494   110.30487   172.29773
   50    48 S   HC   _H7_    46     1.09582   111.20672   -68.34760
   51    44 S   OH   _O37    52     1.42711   110.34398    70.01524
   52    51 S   HO   _H13    53     0.97196   107.87955  -176.78484
   53    48 S   OS   _O33    47     1.42750   111.38090    53.92721
   54    39 S   CO   _C8_    48     1.55085   114.08358   -57.03726
   55    54 S   HC   _H5_    49     1.09515   109.95853    67.86395
   56    54 S   OH   _O34    50     1.42324   110.63805   -51.40769
   57    56 S   HO   _H8_    51     0.97616   106.90568   155.66058
  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
  13   5   4   2   1   1  15  16   8   7   1  10   7   4   1   8
   4   3   2   1   4   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    54    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    53    54    55    56    46    42    43  
   35    39    40    54    42  
   39    40    54    42  
   37    38  
   38  
    0  
   40    41    44    45    48    53    54    55    56    57    51    46    47    42    43  
   41    44    45    48    49    50    53    54    55    56    51    52    46    47    42    43  
   44    45    48    54    51    46    47    42  
   43    44    46    53    54    55    56  
   54  
   45    48    49    50    53    54    51    52    46    47  
   48    49    50    53    51    52    46  
   47    48    51    54  
    0  
   49    50    53    54    55    56    51    52  
   50    53    54    51  
   53    54    51  
   52    53  
    0  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   57   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    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   268.000  1.529
   39    54   250.000  1.527
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   320.000  1.410
   53    54   320.000  1.380
   54    55   340.000  1.090
   54    56   380.000  1.407
   56    57   553.000  0.945
   51    52   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
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    58.35000  112.70000
   33    39    54    75.00000  109.43000
   33    39    42    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    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    46    50.00000  109.50000
   39    54    53    90.00000  108.56700
   39    54    55    45.00000  112.01100
   39    54    56    90.00000  110.19100
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    51    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    50.00000  109.50000
   44    51    52    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    53    54    60.00000  109.50000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    54    55    35.00000  109.50000
   53    54    56   110.00000  112.08000
   54    39    40    75.00000  109.43000
   54    56    57    70.00000  107.92000
   56    54    55    60.00000  108.02500
   51    44    45    35.00000  109.50000
   51    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    39    40    50.00000  109.50000
   42    39    54    90.00000  111.58700
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   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    54   0.44750  1.0 1.0
   29    33    39    54  -0.17800 -1.0 2.0
   29    33    39    54   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    46   0.86500  1.0 1.0
   33    39    40    46  -0.17500 -1.0 2.0
   33    39    40    46   0.20800  1.0 3.0
   33    39    54    53   0.62750  1.0 1.0
   33    39    54    53  -0.30950 -1.0 2.0
   33    39    54    53   0.27300  1.0 3.0
   33    39    54    55   0.15000  1.0 3.0
   33    39    54    56   0.86500  1.0 1.0
   33    39    54    56  -0.17500 -1.0 2.0
   33    39    54    56   0.20800  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    54   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    54   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40    44    48   0.56750  1.0 1.0
   39    40    44    48  -0.07550 -1.0 2.0
   39    40    44    48   0.20000  1.0 3.0
   39    40    44    51   0.86500  1.0 1.0
   39    40    44    51  -0.17500 -1.0 2.0
   39    40    44    51   0.20800  1.0 3.0
   39    40    46    47  -0.11600  1.0 1.0
   39    40    46    47  -0.09450 -1.0 2.0
   39    40    46    47   0.21250  1.0 3.0
   39    54    56    57  -0.11600  1.0 1.0
   39    54    56    57  -0.09450 -1.0 2.0
   39    54    56    57   0.21250  1.0 3.0
   40    39    54    53   0.62750  1.0 1.0
   40    39    54    53  -0.30950 -1.0 2.0
   40    39    54    53   0.27300  1.0 3.0
   40    39    54    55   0.15000  1.0 3.0
   40    39    54    56   0.86500  1.0 1.0
   40    39    54    56  -0.17500 -1.0 2.0
   40    39    54    56   0.20800  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    50   0.15000  1.0 3.0
   40    44   -48    53   0.62750  1.0 1.0
   40    44   -48    53  -0.30950 -1.0 2.0
   40    44   -48    53   0.27300  1.0 3.0
   40    44    51    52  -0.11600  1.0 1.0
   40    44    51    52  -0.09450 -1.0 2.0
   40    44    51    52   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    51   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48    53    54   0.06250  1.0 1.0
   44    48    53    54  -0.01100 -1.0 2.0
   44    48    53    54   0.28050  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   48    44    51    52  -0.11600  1.0 1.0
   48    44    51    52  -0.09450 -1.0 2.0
   48    44    51    52   0.21250  1.0 3.0
   48    53   -54    39   0.06250  1.0 1.0
   48    53   -54    39  -0.01100 -1.0 2.0
   48    53   -54    39   0.28050  1.0 3.0
   48    53    54    55   0.37050  1.0 3.0
   48    53    54    56  -0.81800  1.0 1.0
   49    48    53    54   0.37050  1.0 3.0
   50    48    53    54   0.37050  1.0 3.0
   53    54    56    57  -0.50000  1.0 1.0
   53    54    56    57  -0.73950 -1.0 2.0
   53    54    56    57   0.17150  1.0 3.0
   54    39    40    41   0.15000  1.0 3.0
   54    39   -40    44   3.97050  1.0 1.0
   54    39    40    46   0.86500  1.0 1.0
   54    39    40    46  -0.17500 -1.0 2.0
   54    39    40    46   0.20800  1.0 3.0
   54    39    42    43  -0.11600  1.0 1.0
   54    39    42    43  -0.09450 -1.0 2.0
   54    39    42    43   0.21250  1.0 3.0
   55    54    56    57   0.19450  1.0 3.0
   51    44    48    49   0.23400  1.0 3.0
   51    44    48    50   0.23400  1.0 3.0
   51    44    48    53   3.69350  1.0 1.0
   51    44    48    53  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    51   3.75450  1.0 1.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    46   3.75450  1.0 1.0
   42    39    54    53   3.69350  1.0 1.0
   42    39    54    53  -1.82950 -1.0 2.0
   42    39    54    55   0.23400  1.0 3.0
   42    39    54    56   3.75450  1.0 1.0
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
END
