* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58     98    157     289
    1     0 S   NP   _N1_     1    28.62717    96.98962   -21.98535
    2     1 S   H    _HN1     2     1.02950    70.53402     5.29076
    3     1 S   H    _H1_     3     1.02829    43.66210   150.51924
    4     1 S   H    _H2_     4     1.02786    97.65950  -101.54670
    5     1 S   CT   _CA1     5     1.50114   147.09954   103.02207
    6     5 S   HC   _HA1     6     1.09573   105.19331    92.22699
    7     5 S   CO3  _C1_     7     1.53788   112.46204   -28.01191
    8     7 S   O2Z  _O11     8     1.26373   115.00494   -42.52637
    9     7 S   O2Z  _O12     9     1.26239   114.94547   136.59976
   10     5 S   CT   _CB1    10     1.53079   107.42242  -149.78264
   11    10 S   HC   HB11    11     1.09833   109.37826   -49.62682
   12    10 S   HC   HB12    12     1.09812   110.44716    66.98362
   13    10 S   CT   _CG1    13     1.52991   112.60477  -170.59763
   14    13 S   HC   HG11    14     1.09582   110.64233   -65.67842
   15    13 S   HC   HG12    15     1.09670   109.78090    53.55485
   16    13 S   C    _CD1    16     1.51799   112.20995   174.02086
   17    16 S   O    _OE1    17     1.22732   123.29063     7.41450
   18    16 S   N    _N2_    18     1.38644   111.68121  -172.74831
   19    18 S   H    _HN2    19     1.01591   118.93466     1.66154
   20    18 S   CT1  _CA2    20     1.46174   123.38210   177.48752
   21    20 S   HC   _HA2    21     1.09740   109.38672     2.29490
   22    20 S   C    _C2_    22     1.53531   108.72318  -113.19305
   23    22 S   O    _O2_    23     1.23061   122.25533  -148.48562
   24    20 S   CT   _CB2    32     1.53206   111.51694   124.30332
   25    24 S   HC   HB21    33     1.09596   110.20419    56.05502
   26    24 S   HC   HB22    34     1.09487   110.22541   174.57018
   27    22 S   N    _N3_    24     1.38316   113.70993    39.00418
   28    27 S   H    _HN3    25     1.01586   119.58059    -3.38119
   29    24 S   S    _SG2    35     1.82889   111.45049   -65.30245
   30    27 S   CT   _CA3    26     1.45283   123.22402   177.08953
   31    30 S   HC   HA31    27     1.09549   107.51990   -64.42625
   32    30 S   HC   HA32    28     1.09556   107.97804    52.01549
   33    29 S   CA   _C15    36     1.80736    98.77297   179.96044
   34    30 S   CO3  _C3_    29     1.52962   114.06652   174.01205
   35    34 S   O2Z  _O31    30     1.26377   116.06263    -0.42382
   36    34 S   O2Z  _O32    31     1.26425   114.41534   179.63363
   37    33 S   CA   _C10    37     1.41974   119.73110    93.74742
   38    37 S   CA   _C11    38     1.40799   119.00742  -179.67314
   39    38 S   HA   _H6_    39     1.08951   119.50115   179.82086
   40    37 S   CA   _C9_    47     1.47253   123.09324     0.35936
   41    38 S   CA   _C12    40     1.39328   120.98789    -0.40203
   42    41 S   Cl   Cl2_    41     1.72547   118.95826  -179.96574
   43    40 S   CA   _C4_    48     1.40287   120.71834    83.20736
   44    43 S   HA   _H3_    49     1.08818   120.34063    -0.10279
   45    41 S   CA   _C13    42     1.39329   120.07958    -0.15826
   46    43 S   CA   _C5_    50     1.39647   120.71751  -179.83929
   47    46 S   HA   _H4_    51     1.08736   119.02882   179.76097
   48    33 S   CA   _C14    43     1.41375   120.79644   -86.81652
   49    48 S   Cl   Cl1_    44     1.73952   121.53152    -0.45154
   50    45 S   OH   _O33    45     1.37114   120.42139  -179.73312
   51    50 S   HO   _H7_    46     0.97350   108.20508     0.09891
   52    46 S   CA   _C6_    52     1.39635   120.18229    -0.15451
   53    52 S   Cl   Cl4_    53     1.72765   117.93947   179.88809
   54    52 S   CA   _C7_    54     1.39781   119.77371    -0.16071
   55    54 S   Cl   Cl3_    55     1.72807   122.23613   179.96574
   56    40 S   CA   _C8_    56     1.40431   120.65063   -97.21401
   57    56 S   HA   _H5_    57     1.08903   119.46839     0.18557
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  14   9   4  11   6   3   8   4   4   6   3   3
   1   1   1   5   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    48    49    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    45    48    49    50    40    43    56  
   35    36  
   36  
    0  
   38    39    41    42    45    48    49    40    43    44    46    54    56    57  
   39    41    42    45    48    50    40    43    56  
   41    42    45    40  
   43    44    46    47    52    54    55    56    57    41    48  
   42    45    48    49    50    51  
   45    48    50  
   44    46    47    52    53    54    56    57  
   46    47    52    56  
   48    49    50    51  
   47    52    53    54    55    56  
   52    53    54  
   49    50    51  
   50  
   51  
    0  
   53    54    55    56    57  
   54    55    56  
   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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   250.000  1.760
   33    37   469.000  1.400
   33    48   469.000  1.400
   37    38   469.000  1.400
   37    40   375.000  1.464
   38    39   367.000  1.080
   38    41   469.000  1.400
   41    42   300.000  1.725
   41    45   469.000  1.400
   45    48   469.000  1.400
   45    50   450.000  1.364
   48    49   300.000  1.725
   50    51   553.000  0.945
   40    43   469.000  1.400
   40    56   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    53   300.000  1.725
   52    54   469.000  1.400
   54    55   300.000  1.725
   54    56   469.000  1.400
   56    57   367.000  1.080
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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    48    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    60.00000  122.76000
   33    48    45    63.00000  120.00000
   33    48    49    75.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    41    63.00000  120.00000
   37    40    43    60.00000  122.76000
   37    40    56    60.00000  122.76000
   38    41    42    75.00000  120.00000
   38    41    45    63.00000  120.00000
   41    38    39    35.00000  120.00000
   41    45    48    63.00000  120.00000
   41    45    50    70.00000  120.00000
   45    41    42    75.00000  120.00000
   45    48    49    75.00000  120.00000
   45    50    51    35.00000  113.00000
   48    33    37    63.00000  120.00000
   50    45    48    70.00000  120.00000
   40    37    38    60.00000  122.76000
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   40    56    54    63.00000  120.00000
   40    56    57    35.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    52    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    52    53    75.00000  120.00000
   46    52    54    63.00000  120.00000
   52    46    47    35.00000  120.00000
   52    54    55    75.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    75.00000  120.00000
   54    56    57    35.00000  120.00000
   56    40    43    63.00000  120.00000
   56    54    55    75.00000  120.00000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    48   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    48    45   3.62500 -1.0 2.0
   29    33    48    49   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    41   3.62500 -1.0 2.0
   33    37    40    43  -0.19450  1.0 1.0
   33    37    40    43   0.63300 -1.0 2.0
   33    37    40    43   0.07450  1.0 3.0
   33    37    40    56  -0.19450  1.0 1.0
   33    37    40    56   0.63300 -1.0 2.0
   33    37    40    56   0.07450  1.0 3.0
   37    33    48    45   3.62500 -1.0 2.0
   37    33    48    49   3.62500 -1.0 2.0
   37    38    41    42   3.62500 -1.0 2.0
   37    38   -41    45   3.62500 -1.0 2.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    46   3.62500 -1.0 2.0
   37    40    56    54   3.62500 -1.0 2.0
   37    40    56    57   3.62500 -1.0 2.0
   38    37    40    43  -0.19450  1.0 1.0
   38    37    40    43   0.63300 -1.0 2.0
   38    37    40    43   0.07450  1.0 3.0
   38    37    40    56  -0.19450  1.0 1.0
   38    37    40    56   0.63300 -1.0 2.0
   38    37    40    56   0.07450  1.0 3.0
   38    41    45    48   3.62500 -1.0 2.0
   38    41    45    50   3.62500 -1.0 2.0
   39    38    41    42   3.62500 -1.0 2.0
   39    38    41    45   3.62500 -1.0 2.0
   41    45   -48    33   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45    50    51   0.84100 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   48    33   -37    38   3.62500 -1.0 2.0
   48    33    37    40   3.62500 -1.0 2.0
   48    45    50    51   0.84100 -1.0 2.0
   50    45    48    33   3.62500 -1.0 2.0
   50    45    48    49   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    41   3.62500 -1.0 2.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    52   3.62500 -1.0 2.0
   43    40    56    54   3.62500 -1.0 2.0
   43    40    56    57   3.62500 -1.0 2.0
   43    46    52    53   3.62500 -1.0 2.0
   43    46   -52    54   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    52   3.62500 -1.0 2.0
   46    52    54    55   3.62500 -1.0 2.0
   46    52    54    56   3.62500 -1.0 2.0
   47    46    52    53   3.62500 -1.0 2.0
   47    46    52    54   3.62500 -1.0 2.0
   52    54   -56    40   3.62500 -1.0 2.0
   52    54    56    57   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   55    54    56    40   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   56    40    43    44   3.62500 -1.0 2.0
   56    40   -43    46   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
   35    30    34    36  10.50000 -1.0 2.0
   37    48    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   45    42    41    38   4.00000 -1.0 2.0
   48    50    45    41   4.00000 -1.0 2.0
   45    49    48    33   4.00000 -1.0 2.0
   43    56    40    37   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   52    47    46    43   1.10000 -1.0 2.0
   54    53    52    46   4.00000 -1.0 2.0
   56    55    54    52   4.00000 -1.0 2.0
   54    57    56    40   1.10000 -1.0 2.0
END
