* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    102    151     290
    1     0 S   NP   _N1_     1    28.02672    96.43304   -22.97496
    2     1 S   H    _HN1     2     1.02957    78.04552    -2.67152
    3     1 S   H    _H1_     3     1.02835    32.56202   150.01856
    4     1 S   H    _H2_     4     1.02776   104.16432  -108.82542
    5     1 S   CT   _CA1     5     1.50134   136.64538   104.45613
    6     5 S   HC   _HA1     6     1.09575   105.21117    83.45690
    7     5 S   CO3  _C1_     7     1.53780   112.34339   -36.72949
    8     7 S   O2Z  _O11     8     1.26366   114.99362   -44.18358
    9     7 S   O2Z  _O12     9     1.26232   114.92892   134.87132
   10     5 S   CT   _CB1    10     1.53090   107.41651  -158.64127
   11    10 S   HC   HB11    11     1.09828   109.32372   -50.44654
   12    10 S   HC   HB12    12     1.09815   110.43347    66.10390
   13    10 S   CT   _CG1    13     1.53023   112.68101  -171.50840
   14    13 S   HC   HG11    14     1.09593   110.50943   -64.63040
   15    13 S   HC   HG12    15     1.09657   109.90691    54.58028
   16    13 S   C    _CD1    16     1.51844   112.27948   174.94491
   17    16 S   O    _OE1    17     1.22755   123.27926     1.24772
   18    16 S   N    _N2_    18     1.38562   111.74737  -178.79228
   19    18 S   H    _HN2    19     1.01564   119.05401     4.36592
   20    18 S   CT1  _CA2    20     1.45847   122.84811   177.70211
   21    20 S   HC   _HA2    21     1.09723   108.93536    24.09860
   22    20 S   C    _C2_    22     1.52909   106.84913   -93.01966
   23    22 S   O    _O2_    23     1.22990   122.97921   -28.58309
   24    20 S   CT   _CB2    32     1.53238   112.29181   147.28733
   25    24 S   HC   HB21    33     1.09553   109.92625    54.68770
   26    24 S   HC   HB22    34     1.09424   109.86714   173.49012
   27    22 S   N    _N3_    24     1.38482   112.64359   154.16081
   28    27 S   H    _HN3    25     1.01660   120.40433    -2.02545
   29    24 S   S    _SG2    35     1.82811   110.93788   -65.96711
   30    27 S   CT   _CA3    26     1.45361   122.40817   178.64232
   31    30 S   HC   HA31    27     1.09569   107.68309   -58.21603
   32    30 S   HC   HA32    28     1.09566   107.71679    58.09207
   33    29 S   CT   _C10    36     1.87438   100.53109  -179.03754
   34    30 S   CO3  _C3_    29     1.52876   114.38250   179.90721
   35    34 S   O2Z  _O31    30     1.26323   116.07319    -1.66366
   36    34 S   O2Z  _O32    31     1.26444   114.40387   178.36039
   37    33 S   CM   _C11    37     1.52345   106.74818    77.01247
   38    37 S   HC   _H7_    38     1.08979   116.09052   -71.41894
   39    33 S   CO4  _C9_    47     1.55836   103.75803  -161.80532
   40    39 S   O    _O34    48     1.22951   122.35207    70.97944
   41    33 S   OS   _O36    53     1.42802   109.59235   -43.96116
   42    37 S   CMA  _C12    39     1.35574   125.88998   109.74838
   43    42 S   OM   _O35    40     1.26001   129.71813   179.46113
   44    41 S   CT   _C13    54     1.42248   115.54421  -178.08113
   45    44 S   HC   _H8_    55     1.09371   107.86505   178.34957
   46    44 S   HC   _H9_    56     1.09333   111.40772    59.94723
   47    44 S   HC   _H10    57     1.09349   111.20475   -63.47395
   48    42 S   C5BC _C7_    41     1.44141   117.73173    -0.15195
   49    48 S   C5BC _C6_    42     1.41995   133.82949  -177.80055
   50    49 S   HA   _H6_    43     1.08125   127.92574     0.45800
   51    49 S   C5A  _C5_    44     1.38148   106.26700  -179.34032
   52    51 S   OA   _O33    45     1.36526   110.45798     0.00000
   53    51 S   CT   _C4_    49     1.47464   133.36307   179.90721
   54    53 S   HC   _H3_    50     1.09428   110.48829   120.21327
   55    53 S   HC   _H4_    51     1.09428   110.48643  -119.78853
   56    53 S   HC   _H5_    52     1.09435   111.06107     0.21306
   57    48 S   C5A  _C8_    46     1.37749   120.52772     2.70964
  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   9   5   4   3
  14   2   1   1  10   5   9   4   6   7   3   3   2   1   1   6
   8   4   6   5   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    57    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    48    52    57    39    40    41    44    45    46    47  
   35    36  
   36  
    0  
   38    42    43    48    49    57    39    40    41    44  
   42    43    48    39    41  
   40    41    44    42    48    49    51    52    57  
   41    48    52    57  
   44    45    46    47    42    57  
   43    48    49    50    51    52    57  
   48    49    57  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    57    53  
   50    51    52    57    53    54    55    56  
   51    52    57    53  
   52    57    53    54    55    56  
   57    53    54    55    56  
   54    55    56    57  
   55    56  
   56  
    0  
    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   0.465900   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   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.028000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    39   317.000  1.522
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    48   320.000  1.460
   48    49   469.000  1.424
   48    57   546.000  1.367
   49    50   367.000  1.080
   49    51   546.000  1.367
   51    52   340.000  1.360
   51    53   295.000  1.489
   52    57   340.000  1.360
   57    39   335.000  1.450
   39    40   570.000  1.229
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
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  112.20000
   29    33    39    75.00000  110.18000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    57    65.00000  117.66000
   33    39    40    80.00000  120.40000
   33    41    44    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    48    60.00000  123.20500
   42    37    38    40.00000  120.50800
   42    48    49    65.00000  117.00000
   42    48    57    65.00000  117.00000
   48    42    43    85.00000  114.86500
   48    49    50    35.00000  127.50000
   48    49    51    70.00000  107.30000
   48    57    52    70.00000  110.60000
   48    57    39    55.00000  130.80000
   49    51    52    70.00000  110.60000
   49    51    53    50.00000  133.50000
   51    49    50    35.00000  125.70000
   51    52    57    70.00000  106.50000
   51    53    54    45.00000  110.47400
   51    53    55    45.00000  110.47400
   51    53    56    45.00000  110.47400
   52    57    39    80.00000  119.06000
   57    48    49    70.00000  107.30000
   57    39    40    80.00000  122.40000
   39    33    37    70.00000  109.06800
   53    51    52    80.00000  116.10000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    39    90.00000  108.74100
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    57   0.65300  1.0 1.0
   29    33    39    57  -0.03850 -1.0 2.0
   29    33    39    57   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    41    44   0.14700  1.0 1.0
   29    33    41    44  -1.16150 -1.0 2.0
   29    33    41    44   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    41    44    45   0.37050  1.0 3.0
   33    41    44    46   0.37050  1.0 3.0
   33    41    44    47   0.37050  1.0 3.0
   37    33    39    57   0.65300  1.0 1.0
   37    33    39    57  -0.03850 -1.0 2.0
   37    33    39    57   0.33900  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    41    44  -0.77900  1.0 1.0
   37    33    41    44  -0.36900 -1.0 2.0
   37    33    41    44   0.40400  1.0 3.0
   37    42    48    49   0.15800  1.0 1.0
   37    42    48    49   1.85350 -1.0 2.0
   37    42    48    49  -0.48700  1.0 3.0
   37    42   -48    57   0.15800  1.0 1.0
   37    42   -48    57   1.85350 -1.0 2.0
   37    42   -48    57  -0.48700  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    48   7.00000 -1.0 2.0
   42    48    49    50   3.62500 -1.0 2.0
   42    48    49    51   3.62500 -1.0 2.0
   42    48    57    52   3.62500 -1.0 2.0
   42    48    57    39   3.62500 -1.0 2.0
   43    42    48    49  -0.01750  1.0 1.0
   43    42    48    49  -0.32000 -1.0 2.0
   43    42    48    49   0.00600  1.0 3.0
   43    42    48    57  -0.01750  1.0 1.0
   43    42    48    57  -0.32000 -1.0 2.0
   43    42    48    57   0.00600  1.0 3.0
   48    49   -51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   48    57   -39    33   2.26350  1.0 1.0
   48    57   -39    33   0.76750 -1.0 2.0
   48    57   -39    33   0.22500  1.0 3.0
   48    57    39    40   1.05000 -1.0 2.0
   49    48   -57    52   3.62500 -1.0 2.0
   49    48    57    39   3.62500 -1.0 2.0
   49    51   -52    57   3.62500 -1.0 2.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.00000  1.0 1.0
   49    51    53    56   0.00000  1.0 1.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    52   -57    48   3.62500 -1.0 2.0
   51    52    57    39   3.62500 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.00000  1.0 1.0
   52    57    39    33   0.56600 -1.0 2.0
   52    57    39    40   1.05000 -1.0 2.0
   57    48    49    50   3.62500 -1.0 2.0
   57    48   -49    51   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    42  -0.51250  1.0 1.0
   39    33   -37    42  -0.88800 -1.0 2.0
   39    33   -37    42   0.08850  1.0 3.0
   39    33    41    44  -1.11000  1.0 1.0
   39    33    41    44   0.50250 -1.0 2.0
   39    33    41    44   0.47450  1.0 3.0
   53    51    52    57   3.62500 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    57   0.65300  1.0 1.0
   41    33    39    57  -0.03850 -1.0 2.0
   41    33    39    57   0.33900  1.0 3.0
   41    33    39    40   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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   49    57    48    42   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   4.00000 -1.0 2.0
   52    39    57    48   4.00000 -1.0 2.0
   33    57    39    40  10.50000 -1.0 2.0
END
