* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    101    150     293
    1     0 S   NP   _N1_     1    28.16904    94.13046   -20.62042
    2     1 S   H    _HN1     2     1.03147    93.22506    -6.10637
    3     1 S   H    _H1_     3     1.02825    35.00307   109.26221
    4     1 S   H    _H2_     4     1.02765    82.47110  -113.97354
    5     1 S   CT   _CA1     5     1.50167   144.79039   127.63584
    6     5 S   HC   _HA1     6     1.09574   105.29585    48.49250
    7     5 S   CO3  _C1_     7     1.53832   112.19564   -71.64213
    8     7 S   O2Z  _O11     8     1.26341   115.11417   -47.63965
    9     7 S   O2Z  _O12     9     1.26249   114.87177   131.47607
   10     5 S   CT   _CB1    10     1.53019   107.33315   166.21212
   11    10 S   HC   HB11    11     1.09817   109.46308   -52.41079
   12    10 S   HC   HB12    12     1.09523   110.08109    63.93363
   13    10 S   CT   _CG1    13     1.52947   113.13533  -173.98585
   14    13 S   HC   HG11    14     1.09595   110.40030   -59.28889
   15    13 S   HC   HG12    15     1.09612   110.15458    60.01140
   16    13 S   C    _CD1    16     1.51860   112.04431  -179.55943
   17    16 S   O    _OE1    17     1.22750   123.28128    -9.38060
   18    16 S   N    _N2_    18     1.38514   111.79316   171.13727
   19    18 S   H    _HN2    19     1.01545   119.15586     5.02469
   20    18 S   CT1  _CA2    20     1.45847   122.84209  -178.16368
   21    20 S   HC   _HA2    21     1.09635   108.40443    29.30586
   22    20 S   C    _C2_    22     1.52889   107.45121   -87.74517
   23    22 S   O    _O2_    23     1.22974   123.08421   -26.64536
   24    20 S   CT   _CB2    32     1.53289   112.09164   152.48932
   25    24 S   HC   HB21    33     1.09656   109.78674    58.82532
   26    24 S   HC   HB22    34     1.09554   111.44276   176.60835
   27    22 S   N    _N3_    24     1.38511   112.51922   156.10099
   28    27 S   H    _HN3    25     1.01664   120.35987    -2.30291
   29    24 S   S    _SG2    35     1.82492   112.84121   -60.25541
   30    27 S   CT   _CA3    26     1.45344   122.43021   178.65768
   31    30 S   HC   HA31    27     1.09569   107.81162   -55.63893
   32    30 S   HC   HA32    28     1.09564   107.59803    60.67518
   33    29 S   CT   _C12    36     1.83302    99.66057   -80.45535
   34    33 S   HC   _H10    37     1.09624   109.21165    40.30855
   35    33 S   HC   _H11    38     1.09786   106.40290   -75.26041
   36    30 S   CO3  _C3_    29     1.52871   114.37667  -177.56683
   37    36 S   O2Z  _O31    30     1.26320   116.09391    -0.13706
   38    36 S   O2Z  _O32    31     1.26442   114.39774   179.82868
   39    33 S   CT   _C11    39     1.55310   111.76316   163.89848
   40    39 S   OM   _O36    40     1.32660   107.02314   174.56206
   41    39 S   HC   _H3_    41     1.10085   106.95541    47.40409
   42    39 S   CT   _C10    42     1.55864   112.12645   -67.41786
   43    42 S   HC   _H8_    43     1.09964   110.30577  -172.51927
   44    42 S   HC   _H9_    44     1.09727   108.44000    69.14444
   45    42 S   OS   _O35    45     1.43293   110.93714   -50.68733
   46    45 S   CA   _C6_    46     1.36808   117.60573   178.17640
   47    46 S   CA   _C5_    47     1.39858   125.88634    -5.37859
   48    47 S   HA   _H5_    48     1.08551   121.83019     0.70471
   49    47 S   CA   _C4_    49     1.39740   120.24037  -178.58473
   50    49 S   HA   _H4_    50     1.08685   119.18539   179.24101
   51    49 S   CA   _C9_    51     1.39565   119.13380    -0.20748
   52    51 S   CA   _C8_    52     1.39396   121.56389    -0.41918
   53    52 S   HA   _H7_    53     1.08613   121.93308   179.35260
   54    51 S   NO2  _N4_    56     1.44991   119.31946   177.86000
   55    54 S   ON   _O34    57     1.23903   117.34616   -39.69558
   56    54 S   ON   _O33    58     1.23808   117.43230   141.08104
   57    46 S   CA   _C7_    54     1.40162   114.53938   175.39917
   58    57 S   HA   _H6_    55     1.08780   119.89101    -0.38512
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
   9   5   4   2   1   1   7   5   4   6   3   2   7   9   8   4
   8   3   7   6   3   3   1   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46  
   41    42    43    44    45  
   42    43    44    45  
   43    44    45    46    47    57  
   44    45    46  
   45    46  
   46    47    48    49    52    57    58  
   47    48    49    50    51    52    53    57    58  
   48    49    50    51    52    57    58    54  
   49    50    51    57  
   50    51    52    53    57    54    55    56  
   51    52    54  
   52    53    57    58    54    55    56  
   53    57    58    54    55    56  
   57    58    54  
   55    56    57  
   56  
    0  
   58  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   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    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   570.000  1.307
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   320.000  1.410
   45    46   450.000  1.364
   46    47   469.000  1.400
   46    57   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   469.000  1.400
   51    54   400.000  1.460
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   54    55   550.000  1.225
   54    56   550.000  1.225
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    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    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    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    50.00000  109.50000
   41    39    40    45.00000  125.66300
   42    39    40    50.00000  109.50000
   42    39    41    37.50000  110.70000
   42    45    46    75.00000  111.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    46    47    70.00000  120.00000
   45    46    57    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    49    63.00000  120.00000
   46    57    52    63.00000  120.00000
   46    57    58    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    63.00000  120.00000
   49    51    54    85.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    57    63.00000  120.00000
   51    54    55    80.00000  117.50000
   51    54    56    80.00000  117.50000
   52    57    58    35.00000  120.00000
   57    46    47    63.00000  120.00000
   57    52    53    35.00000  120.00000
   54    51    52    85.00000  120.00000
   56    54    55    80.00000  125.30000
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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.62750  1.0 1.0
   33    39    42    45  -0.30950 -1.0 2.0
   33    39    42    45   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    45    46  -0.32850  1.0 1.0
   39    42    45    46  -0.35800 -1.0 2.0
   39    42    45    46   0.33950  1.0 3.0
   40    39    42    43   0.23400  1.0 3.0
   40    39    42    44   0.23400  1.0 3.0
   40    39    42    45   1.11900  1.0 1.0
   40    39    42    45  -1.16350 -1.0 2.0
   40    39    42    45  -0.34150  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    45   0.23400  1.0 3.0
   42    45    46    47   1.63200 -1.0 2.0
   42    45    46    57   1.63200 -1.0 2.0
   43    42    45    46   0.08050  1.0 3.0
   44    42    45    46   0.08050  1.0 3.0
   45    46    47    48   3.62500 -1.0 2.0
   45    46    47    49   3.62500 -1.0 2.0
   45    46    57    52   3.62500 -1.0 2.0
   45    46    57    58   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    51   3.62500 -1.0 2.0
   47    46    57    52   3.62500 -1.0 2.0
   47    46    57    58   3.62500 -1.0 2.0
   47    49   -51    52   3.62500 -1.0 2.0
   47    49    51    54   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    57   3.62500 -1.0 2.0
   49    51    54    55   0.69950 -1.0 2.0
   49    51    54    56   0.69950 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    54   3.62500 -1.0 2.0
   51    52   -57    46   3.62500 -1.0 2.0
   51    52    57    58   3.62500 -1.0 2.0
   52    51    54    55   0.69950 -1.0 2.0
   52    51    54    56   0.69950 -1.0 2.0
   53    52    57    46   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   57    46    47    48   3.62500 -1.0 2.0
   57    46   -47    49   3.62500 -1.0 2.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    57   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   47    57    46    45   4.00000 -1.0 2.0
   49    48    47    46   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   52    54    51    49   4.00000 -1.0 2.0
   57    53    52    51   1.10000 -1.0 2.0
   52    58    57    46   1.10000 -1.0 2.0
   55    51    54    56  10.50000 -1.0 2.0
END
