* LIGAND DATABASE FILE (OPLS2005)
*
001      55    56    101    159     288
    1     0 S   NP   _N1_     1    30.07450    92.49371   -17.75806
    2     1 S   H    _HN1     2     1.03268   134.60570    93.59534
    3     1 S   H    _H1_     3     1.02786    27.46032    88.37338
    4     1 S   H    _H2_     4     1.02784    96.46453   -28.75746
    5     1 S   CT   _CA1     5     1.50148    94.22684  -141.58711
    6     5 S   HC   _HA1     6     1.09564   105.33933    41.18357
    7     5 S   CO3  _C1_     7     1.53776   112.47633   -79.24102
    8     7 S   O2Z  _O11     8     1.26332   115.25809   -49.83275
    9     7 S   O2Z  _O12     9     1.26264   114.81605   129.40918
   10     5 S   CT   _CB1    10     1.52867   107.10269   159.04625
   11    10 S   HC   HB11    11     1.09859   109.54250   -51.49408
   12    10 S   HC   HB12    12     1.09691   109.87525    64.37574
   13    10 S   CT   _CG1    13     1.53138   113.40338  -172.92510
   14    13 S   HC   HG11    14     1.09551   111.43000   -62.14529
   15    13 S   HC   HG12    15     1.09561   110.72684    57.63105
   16    13 S   C    _CD1    16     1.51472   109.50981   177.33420
   17    16 S   O    _OE1    17     1.22796   121.98717  -103.83361
   18    16 S   N    _N2_    18     1.38311   112.48173    73.74129
   19    18 S   H    _HN2    19     1.01588   119.16080     9.18485
   20    18 S   CT1  _CA2    20     1.45915   123.23310  -171.32984
   21    20 S   HC   _HA2    21     1.09658   109.77569    16.39879
   22    20 S   C    _C2_    22     1.52561   105.02783  -101.72742
   23    22 S   O    _O2_    23     1.22976   122.35184   -79.08230
   24    20 S   CT   _CB2    32     1.53422   110.85914   138.41223
   25    24 S   HC   HB21    33     1.09472   109.92310    57.27809
   26    24 S   HC   HB22    34     1.09477   110.06833   176.40926
   27    22 S   N    _N3_    24     1.38538   112.79961    96.35073
   28    27 S   H    _HN3    25     1.01539   119.62085     3.93671
   29    24 S   S    _SG2    35     1.83154   110.16621   -63.16890
   30    27 S   CT   _CA3    26     1.45492   123.21634  -179.38834
   31    30 S   HC   HA31    27     1.09516   109.36150    22.60300
   32    30 S   HC   HA32    28     1.09501   107.08045   139.59080
   33    29 S   CT   _C8_    36     1.85398   100.81158   168.46782
   34    30 S   CO3  _C3_    29     1.52927   113.18899  -100.94324
   35    34 S   O2Z  _O31    30     1.26398   115.45329   -44.02194
   36    34 S   O2Z  _O32    31     1.26367   114.96887   136.96867
   37    33 S   CT1  _C7_    37     1.56714   112.16218  -162.21743
   38    37 S   HC   _H4_    38     1.10215   106.71035  -162.13240
   39    33 S   CM   _C9_    51     1.51409   108.38997    74.38928
   40    39 S   HC   _H7_    52     1.09091   115.40341    63.29906
   41    37 S   N4   _N4_    39     1.47339   102.29631    90.67235
   42    37 S   CO3  _C11    48     1.53703   124.75662   -42.61669
   43    42 S   O2Z  _O37    49     1.26517   115.37272   162.75567
   44    42 S   O2Z  _O36    50     1.26250   115.92227   -19.71783
   45    39 S   CMA  _C10    53     1.34876   127.08549  -117.43718
   46    45 S   OM   _O35    54     1.25908   131.24270  -179.50386
   47    45 S   HC   _H8_    55     1.09022   113.51996     0.60845
   48    41 S   C4   _C6_    40     1.36650   126.22878   -83.05100
   49    48 S   O    _O33    41     1.21054   133.21163   -51.39020
   50    41 S   C4T  _C5_    45     1.46804   108.67457    27.62328
   51    50 S   HC   _H3_    46     1.09420   112.87109   106.16465
   52    48 S   C4T  _C4_    42     1.53678    91.43588   123.66175
   53    52 S   HC   _H5_    43     1.09271   113.98832   109.80030
   54    52 S   HC   _H6_    44     1.09249   114.11970  -122.15841
   55    33 S   OS   _O34    47     1.46555   109.75371   -47.22397
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  14   8   8   4  11   5   1   1   3   1   1   7
   4   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    55    42    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    48    52    50    51    55    42    43    44    39    40    45    46    47  
   35    36  
   36  
    0  
   38    41    48    49    52    50    51    55    42    43    44    39    40    45  
   41    48    50    55    42    43    44    39  
   40    45    46    47    41    42    50    55  
   45    46    47    55  
   48    49    52    53    54    50    51    55    42    43    44  
   43    44    48    50    55  
   44  
    0  
   46    47    55  
   47  
    0  
   49    52    53    54    50    51    55  
   52    53    54    50  
   51    55    52    53    54  
   55    52    53    54  
   53    54    55  
   54    55  
   55  
    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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.156000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    55   320.000  1.410
   33    39   317.000  1.510
   37    38   340.000  1.090
   37    41   337.000  1.449
   37    42   317.000  1.522
   41    48   440.000  1.369
   41    50   305.000  1.456
   48    49   930.000  1.212
   48    52   250.000  1.540
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    50   268.000  1.529
   50    51   340.000  1.090
   50    55   320.000  1.410
   42    43   656.000  1.250
   42    44   656.000  1.250
   39    40   340.000  1.080
   39    45   465.000  1.376
   45    46   745.000  1.250
   45    47   335.000  1.111
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  108.68000
   29    33    55    85.00000  114.68000
   29    33    39    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    41    80.00000  109.70000
   33    37    42    63.00000  111.10000
   33    55    50    60.00000  109.50000
   33    39    40    35.00000  117.00000
   33    39    45    70.00000  124.00000
   37    41    48    50.00000  132.10000
   37    41    50    50.00000  132.70000
   37    42    43    70.00000  117.00000
   37    42    44    70.00000  117.00000
   41    37    38    35.00000  109.50000
   41    48    49    75.00000  131.60000
   41    48    52    95.00000   92.72400
   41    50    52   105.00000   87.49700
   41    50    51    50.00000  112.01000
   41    50    55    95.00000  111.00000
   48    52    53    40.00000  113.37500
   48    52    54    40.00000  113.37500
   48    52    50   100.00000   86.36000
   52    48    49    60.00000  136.58000
   52    50    51    37.50000  110.70000
   52    50    55    50.00000  109.50000
   54    52    53    33.00000  107.80000
   50    41    48   100.00000   93.00000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   55    33    37    50.00000  109.50000
   55    50    51    35.00000  109.50000
   42    37    38    35.00000  109.50000
   42    37    41    63.00000  110.10000
   44    42    43    80.00000  126.00000
   39    33    37    70.00000  112.02700
   39    33    55    85.00000  110.90400
   39    45    46    65.00000  137.10300
   39    45    47    45.00000  105.30000
   45    39    40    40.00000  120.50800
   47    45    46    50.00000  124.16400
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    55   0.13850  1.0 1.0
   24    29    33    55  -1.34450 -1.0 2.0
   24    29    33    55   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.71400  1.0 1.0
   29    33    37    41   0.04300 -1.0 2.0
   29    33    37    41   0.01450  1.0 3.0
   29    33    37    42  -2.17200  1.0 1.0
   29    33    37    42  -0.85700 -1.0 2.0
   29    33    55    50   0.14700  1.0 1.0
   29    33    55    50  -1.16150 -1.0 2.0
   29    33    55    50   0.48700  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   33    37    41    48   0.00000  1.0 1.0
   33    37   -41    50   0.00000  1.0 1.0
   33    37    42    43   0.00000  1.0 1.0
   33    37    42    44   0.00000  1.0 1.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    47   7.00000 -1.0 2.0
   37    33   -55    50   0.06250  1.0 1.0
   37    33   -55    50  -0.01100 -1.0 2.0
   37    33   -55    50   0.28050  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    45   0.09850  1.0 1.0
   37    33    39    45   0.15250 -1.0 2.0
   37    33    39    45  -0.50650  1.0 3.0
   37    41    48    49   3.00000 -1.0 2.0
   37    41    48    52   3.00000 -1.0 2.0
   37    41   -50    52   0.00000  1.0 1.0
   37    41    50    51   0.00000  1.0 1.0
   37    41   -50    55   0.00000  1.0 1.0
   38    37    41    48   0.00000  1.0 1.0
   38    37    41    50   0.00000  1.0 1.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    44   0.00000  1.0 1.0
   41    37    42    43   0.00000  1.0 1.0
   41    37    42    44   0.00000  1.0 1.0
   41    48    52    53   0.00000  1.0 1.0
   41    48    52    54   0.00000  1.0 1.0
   41    48   -52    50   3.00000 -1.0 2.0
   41    50   -55    33  -2.37750  1.0 1.0
   41    50   -55    33  -0.08150 -1.0 2.0
   41    50   -55    33   0.59000  1.0 3.0
   48    41   -50    52   0.00000  1.0 1.0
   48    41    50    51   0.00000  1.0 1.0
   48    41    50    55   0.00000  1.0 1.0
   48    52   -50    41   3.00000 -1.0 2.0
   48    52   -50    51   0.15000  1.0 3.0
   48    52   -50    55  -0.09450  1.0 1.0
   48    52   -50    55  -1.12950 -1.0 2.0
   48    52   -50    55   0.54000  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    50  -0.11250  1.0 1.0
   49    48    52    50   0.11400 -1.0 2.0
   49    48    52    50  -0.28950  1.0 3.0
   52    50    55    33   0.06250  1.0 1.0
   52    50    55    33  -0.01100 -1.0 2.0
   52    50    55    33   0.28050  1.0 3.0
   53    52   -50    41   0.15000  1.0 3.0
   53    52    50    51   0.15000  1.0 3.0
   53    52    50    55   0.15000  1.0 3.0
   54    52   -50    41   0.15000  1.0 3.0
   54    52    50    51   0.15000  1.0 3.0
   54    52    50    55   0.15000  1.0 3.0
   50    41   -48    49   3.00000 -1.0 2.0
   50    41   -48    52   3.00000 -1.0 2.0
   51    50    55    33   0.37050  1.0 3.0
   55    33    37    38   0.23400  1.0 3.0
   55    33   -37    41   1.12100  1.0 1.0
   55    33   -37    41  -0.16500 -1.0 2.0
   55    33    37    42  -3.35100  1.0 1.0
   55    33    37    42  -0.37050 -1.0 2.0
   55    33    37    42   0.22400  1.0 3.0
   55    33    39    40   0.00000  1.0 1.0
   55    33    39    45   0.39000  1.0 1.0
   55    33    39    45  -0.05800 -1.0 2.0
   55    33    39    45  -0.55150  1.0 3.0
   42    37    41    48   0.00000  1.0 1.0
   42    37    41    50   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.21700  1.0 1.0
   39    33    37    41   0.68550 -1.0 2.0
   39    33    37    41  -0.27950  1.0 3.0
   39    33    37    42  -0.98800  1.0 1.0
   39    33    37    42   0.48800 -1.0 2.0
   39    33    37    42   0.76800  1.0 3.0
   39    33    55    50  -0.77900  1.0 1.0
   39    33    55    50  -0.36900 -1.0 2.0
   39    33    55    50   0.40400  1.0 3.0
   40    39    45    46   7.00000 -1.0 2.0
   40    39    45    47   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
   35    30    34    36  10.50000 -1.0 2.0
   50    48    41    37   1.00000 -1.0 2.0
   41    52    48    49  10.50000 -1.0 2.0
   43    37    42    44  10.50000 -1.0 2.0
   33    40    39    45  15.00000 -1.0 2.0
   46    47    45    39  15.00000 -1.0 2.0
END
