* LIGAND DATABASE FILE (OPLS2005)
*
001      55    54     97    142     285
    1     0 S   NP   _N1_     1    29.22558    95.14374   -19.35095
    2     1 S   H    _HN1     2     1.02966    89.86396    19.35309
    3     1 S   H    _H1_     3     1.02809    39.32207   136.99127
    4     1 S   H    _H2_     4     1.02752    80.95726   -89.34193
    5     1 S   CT   _CA1     5     1.50264   149.38403   151.55415
    6     5 S   HC   _HA1     6     1.09580   105.07764    49.46069
    7     5 S   CO3  _C1_     7     1.53980   112.40117   -70.15638
    8     7 S   O2Z  _O11     8     1.26367   115.02074   -34.73910
    9     7 S   O2Z  _O12     9     1.26262   115.08468   143.74352
   10     5 S   CT   _CB1    10     1.53102   107.18406   167.17943
   11    10 S   HC   HB11    11     1.09813   109.41672   -49.01745
   12    10 S   HC   HB12    12     1.09787   110.25760    67.52795
   13    10 S   CT   _CG1    13     1.52865   112.72196  -170.14282
   14    13 S   HC   HG11    14     1.09437   109.96396   -62.76540
   15    13 S   HC   HG12    15     1.09639   110.15633    56.12191
   16    13 S   C    _CD1    16     1.51935   112.58701   176.40926
   17    16 S   O    _OE1    17     1.22727   123.31398   -10.75384
   18    16 S   N    _N2_    18     1.38610   111.56410   170.32799
   19    18 S   H    _HN2    19     1.01925   118.75686     0.36691
   20    18 S   CT1  _CA2    20     1.46012   123.85955  -178.63212
   21    20 S   HC   _HA2    21     1.09718   109.43292    -5.26678
   22    20 S   C    _C2_    22     1.53601   108.39940  -120.71205
   23    22 S   O    _O2_    23     1.23060   122.19117  -148.00551
   24    20 S   CT   _CB2    32     1.53549   111.45078   116.95057
   25    24 S   HC   HB21    33     1.09577   110.37840    52.44069
   26    24 S   HC   HB22    34     1.09528   110.27433   170.26817
   27    22 S   N    _N3_    24     1.38505   113.58862    39.70052
   28    27 S   H    _HN3    25     1.01511   118.83399    -1.59973
   29    24 S   S    _SG2    35     1.83320   112.79154   -71.63182
   30    27 S   CT   _CA3    26     1.45440   123.58004   175.20053
   31    30 S   HC   HA31    27     1.09518   109.34800    22.43146
   32    30 S   HC   HA32    28     1.09502   107.09920   139.39213
   33    29 S   CT   _C6_    36     1.83358   100.03900   123.40767
   34    33 S   HC   _H7_    37     1.09504   107.47870    46.22988
   35    33 S   HC   _H8_    38     1.09574   107.09165   160.50944
   36    30 S   CO3  _C3_    29     1.52904   113.02240  -101.15293
   37    36 S   O2Z  _O31    30     1.26413   115.36484   -47.36960
   38    36 S   O2Z  _O32    31     1.26358   115.04607   133.58620
   39    33 S   CT   _C5_    39     1.53339   112.12330   -77.20486
   40    39 S   HC   _H3_    40     1.08944   110.55458    28.98165
   41    39 S   CO3  _C7_    41     1.54491   107.33902   -88.73080
   42    41 S   O2Z  _O34    42     1.26322   116.08288   -89.34618
   43    41 S   O2Z  _O33    43     1.26399   114.65743    91.06660
   44    39 S   CT   _C4_    44     1.53964   111.37792   148.41563
   45    44 S   HC   _H5_    45     1.09752   109.65877    67.79466
   46    44 S   HC   _H6_    46     1.09807   109.31265   -47.58637
   47    44 S   CT   _C8_    47     1.53893   111.78517  -168.37992
   48    47 S   HC   _H4_    48     1.09515   111.46815   -29.52178
   49    47 S   CO3  _C9_    49     1.54755   112.86731    91.54575
   50    49 S   O2Z  _O36    50     1.26311   116.13561   -42.26780
   51    49 S   O2Z  _O35    51     1.26553   114.64751   138.01217
   52    47 S   NP   _N4_    52     1.50195   107.39432  -143.16517
   53    52 S   H    _H9_    53     1.02911   109.67395  -178.02068
   54    52 S   H    _H10    54     1.02826   111.56023    62.24169
   55    52 S   H    _H11    55     1.02756   111.38258   -59.52151
  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
  11   5   4   2   1   1  11   7   6   2   1  11   5   4   8   7
   6   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    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    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    46    47  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    52  
   41    42    43    44    45    46    47  
   42    43    44    45    46    47  
   43    44  
   44  
   45    46    47    48    49    50    51    52    53    54    55  
   46    47    48    49    52  
   47    48    49    52  
   48    49    50    51    52    53    54    55  
   49    50    51    52    53    54    55  
   50    51    52    53    54    55  
   51    52  
   52  
   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  -0.335000   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   50   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   51   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   52   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   53   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   54   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   55   0.5000   0.0300   0.210000   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   340.000  1.090
   39    41   317.000  1.522
   39    44   268.000  1.529
   41    42   656.000  1.250
   41    43   656.000  1.250
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   317.000  1.522
   47    52   367.000  1.471
   49    50   656.000  1.250
   49    51   656.000  1.250
   52    53   434.000  1.010
   52    54   434.000  1.010
   52    55   434.000  1.010
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    70.00000  109.69300
   33    39    44    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    70.00000  117.00000
   39    41    43    70.00000  117.00000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    58.35000  112.70000
   41    39    40    35.00000  109.50000
   43    41    42    80.00000  126.00000
   44    39    40    37.50000  110.70000
   44    39    41    70.00000  109.69300
   44    47    48    37.50000  110.70000
   44    47    49    70.00000  109.69300
   44    47    52    80.00000  111.20000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    70.00000  117.00000
   47    49    51    70.00000  117.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   49    47    48    35.00000  109.50000
   51    49    50    80.00000  126.00000
   52    47    48    35.00000  109.50000
   52    47    49    80.00000  109.26000
   54    52    53    35.00000  109.50000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
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    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    39    41    42   0.41150 -1.0 2.0
   33    39    41    43   0.41150 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    47   0.56750  1.0 1.0
   33    39    44    47  -0.07550 -1.0 2.0
   33    39    44    47   0.20000  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    44   0.15000  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    44   0.15000  1.0 3.0
   39    44    47    48   0.15000  1.0 3.0
   39    44    47    49  -1.63150  1.0 1.0
   39    44    47    49  -0.43550 -1.0 2.0
   39    44    47    49   0.24500  1.0 3.0
   39    44    47    52   1.36600  1.0 1.0
   39    44    47    52  -0.11450 -1.0 2.0
   39    44    47    52   0.24250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   41    39    44    45  -0.11250  1.0 3.0
   41    39    44    46  -0.11250  1.0 3.0
   41    39    44    47  -1.63150  1.0 1.0
   41    39    44    47  -0.43550 -1.0 2.0
   41    39    44    47   0.24500  1.0 3.0
   44    39    41    42   0.41150 -1.0 2.0
   44    39    41    43   0.41150 -1.0 2.0
   44    47    49    50   0.41150 -1.0 2.0
   44    47    49    51   0.41150 -1.0 2.0
   44    47    52    53   0.17350  1.0 3.0
   44    47    52    54   0.17350  1.0 3.0
   44    47    52    55   0.17350  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49  -0.11250  1.0 3.0
   45    44    47    52   0.19200  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49  -0.11250  1.0 3.0
   46    44    47    52   0.19200  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    52    53   0.13050  1.0 3.0
   48    47    52    54   0.13050  1.0 3.0
   48    47    52    55   0.13050  1.0 3.0
   49    47    52    53   0.17350  1.0 3.0
   49    47    52    54   0.17350  1.0 3.0
   49    47    52    55   0.17350  1.0 3.0
   52    47    49    50   0.30150 -1.0 2.0
   52    47    49    51   0.30150 -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
   42    39    41    43  10.50000 -1.0 2.0
   50    47    49    51  10.50000 -1.0 2.0
END
