* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57     99    155     296
    1     0 S   NP   _N1_     1    28.82162    95.94215   -24.67108
    2     1 S   H    _HN1     2     1.02796   115.03341   -94.46664
    3     1 S   H    _H1_     3     1.02948    72.52735     8.09752
    4     1 S   H    _H2_     4     1.02827    34.90907   179.95154
    5     1 S   CT   _CA1     5     1.50123   128.63261   110.61981
    6     5 S   HC   _HA1     6     1.09572   105.17416    94.25549
    7     5 S   CO3  _C1_     7     1.53763   112.42442   -26.00474
    8     7 S   O2Z  _O11     8     1.26378   115.00874   -43.53443
    9     7 S   O2Z  _O12     9     1.26225   114.93507   135.46585
   10     5 S   CT   _CB1    10     1.53048   107.40377  -147.75357
   11    10 S   HC   HB11    11     1.09845   109.36312   -49.12808
   12    10 S   HC   HB12    12     1.09811   110.46417    67.45672
   13    10 S   CT   _CG1    13     1.53040   112.65504  -170.03573
   14    13 S   HC   HG11    14     1.09564   110.78412   -67.01262
   15    13 S   HC   HG12    15     1.09664   109.68369    52.26523
   16    13 S   C    _CD1    16     1.51807   111.84042   172.80674
   17    16 S   O    _OE1    17     1.22770   123.11211    14.27011
   18    16 S   N    _N2_    18     1.38641   111.95438  -165.88682
   19    18 S   H    _HN2    19     1.01591   119.04575     1.10110
   20    18 S   CT1  _CA2    20     1.46228   123.26715   176.34687
   21    20 S   HC   _HA2    21     1.09741   109.28494     7.39261
   22    20 S   C    _C2_    22     1.53680   108.85588  -108.11351
   23    22 S   O    _O2_    23     1.23080   122.21034  -149.02503
   24    20 S   CT   _CB2    32     1.53475   111.70967   129.38040
   25    24 S   HC   HB21    33     1.09421   109.57106    57.93887
   26    24 S   HC   HB22    34     1.09407   109.44409   176.77214
   27    22 S   N    _N3_    24     1.38300   113.87788    38.45574
   28    27 S   H    _HN3    25     1.01541   119.63285    -3.14610
   29    24 S   S    _SG2    35     1.82995   111.16192   -63.79533
   30    27 S   CT   _CA3    26     1.45281   123.30110   177.26169
   31    30 S   HC   HA31    27     1.09546   107.50962   -65.11173
   32    30 S   HC   HA32    28     1.09555   108.00768    51.35691
   33    29 S   CT   _C9_    36     1.88565   102.33680   171.86214
   34    30 S   CO3  _C3_    29     1.52981   114.02034   173.37561
   35    34 S   O2Z  _O31    30     1.26387   116.07788     0.07402
   36    34 S   O2Z  _O32    31     1.26423   114.41871  -179.87489
   37    33 S   CT   _C4_    37     1.54281   111.96078    52.82536
   38    37 S   HC   _H4_    38     1.09559   111.70160   -58.97882
   39    37 S   HC   _H5_    39     1.09833   110.55805  -177.06155
   40    33 S   CM   _C10    51     1.52631   106.06376   -66.60614
   41    40 S   HC   _H7_    52     1.08958   114.95967    85.21068
   42    37 S   CO4  _C5_    40     1.51635   112.77389    63.36373
   43    42 S   O    _O33    41     1.23033   121.70562  -150.33584
   44    40 S   CM   _C11    53     1.34252   127.17752   -95.01601
   45    44 S   HC   _H8_    54     1.08747   120.20146     0.61548
   46    42 S   CM   _C6_    42     1.48860   118.52026    32.81735
   47    44 S   CO3  _C12    55     1.53555   122.03123  -179.84934
   48    47 S   O2Z  _O35    56     1.26265   116.97175    -2.63374
   49    47 S   O2Z  _O34    57     1.26604   113.88430   177.48044
   50    46 S   CM   _C7_    43     1.33815   119.64984    -3.00954
   51    50 S   HC   _H6_    44     1.08712   119.00587   177.81672
   52    46 S   OH   _O37    49     1.37708   118.71108   175.60221
   53    52 S   HO   _H10    50     0.97451   106.74422     0.86728
   54    33 S   CT   _C8_    45     1.56213   106.78987   170.78301
   55    54 S   HC   _H3_    46     1.09736   110.51367    50.67344
   56    54 S   OH   _O36    47     1.43168   110.20620   169.17709
   57    56 S   HO   _H9_    48     0.97256   107.65902  -172.74293
  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  12   5   4   3
  17   2   1   1  13   6   5  11   4   7   3   5   3   7   2   1
   1   7   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    54    55    56    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    50    51    54    55    56    57    40    41    44    45    47  
   35    36  
   36  
    0  
   38    39    42    43    46    50    54    55    56    52    40    41    44  
   39    42    43    46    54    40  
   42    43    46    54    40  
   41    44    45    47    48    49    42    50    54    55    56  
   44    45    47    54  
   43    46    50    51    54    52    53  
   46    50    52  
   45    47    48    49    54  
   47    48    49  
   50    51    54    55    56    52    53  
   48    49  
   49  
    0  
   51    54    55    56    57    52    53  
   54    55    56    52  
   53    54  
    0  
   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  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    46   320.000  1.462
   46    50   549.000  1.340
   46    52   510.000  1.338
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   320.000  1.410
   56    57   553.000  0.945
   52    53   553.000  0.945
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   340.000  1.080
   44    47   230.000  1.545
   47    48   656.000  1.250
   47    49   656.000  1.250
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  111.63000
   29    33    54    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    54    50    70.00000  112.02700
   33    54    55    37.50000  110.70000
   33    54    56    50.00000  109.50000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   37    42    43    80.00000  120.40000
   37    42    46    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    50    65.00000  118.96000
   42    46    52    85.00000  116.28000
   46    42    43    80.00000  123.72100
   46    50    51    35.00000  120.00000
   46    50    54    70.00000  124.00000
   46    52    53    70.00000  107.45700
   50    54    55    35.00000  109.50000
   50    54    56    90.00000  110.39200
   54    33    37    58.35000  112.70000
   54    50    51    35.00000  117.00000
   54    56    57    55.00000  108.50000
   56    54    55    35.00000  109.50000
   52    46    50    80.00000  121.38400
   40    33    37    70.00000  112.02700
   40    33    54    70.00000  112.02700
   40    44    45    35.00000  120.00000
   40    44    47    55.00000  124.75400
   44    40    41    35.00000  120.00000
   44    47    48    85.00000  113.83300
   44    47    49    85.00000  113.83300
   47    44    45    40.00000  118.53000
   49    47    48    80.00000  126.00000
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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    54    50   0.56750  1.0 1.0
   29    33    54    50  -0.07550 -1.0 2.0
   29    33    54    50   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.56750  1.0 1.0
   29    33    54    56  -0.07550 -1.0 2.0
   29    33    54    56   0.20000  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    46   0.65300  1.0 1.0
   33    37    42    46  -0.03850 -1.0 2.0
   33    37    42    46   0.33900  1.0 3.0
   33    54    56    57  -0.11600  1.0 1.0
   33    54    56    57  -0.09450 -1.0 2.0
   33    54    56    57   0.21250  1.0 3.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   37    33    54    50   0.34400  1.0 1.0
   37    33    54    50   0.09450 -1.0 2.0
   37    33    54    50   0.11100  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.86500  1.0 1.0
   37    33    54    56  -0.17500 -1.0 2.0
   37    33    54    56   0.20800  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    44   0.09850  1.0 1.0
   37    33    40    44   0.15250 -1.0 2.0
   37    33    40    44  -0.50650  1.0 3.0
   37    42   -46    50  -0.33500  1.0 1.0
   37    42   -46    50   1.06600 -1.0 2.0
   37    42   -46    50  -0.14000  1.0 3.0
   37    42    46    52   0.32450 -1.0 2.0
   37    42    46    52   0.17400  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    46   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    46   0.00000  1.0 1.0
   42    46    50    51   7.00000 -1.0 2.0
   42    46    50    54   7.00000 -1.0 2.0
   42    46    52    53   2.00000 -1.0 2.0
   43    42    46    50   1.00000 -1.0 2.0
   43    42    46    52  -0.11900  1.0 1.0
   43    42    46    52   0.76850 -1.0 2.0
   43    42    46    52   0.14100  1.0 3.0
   46    50   -54    33   0.09850  1.0 1.0
   46    50   -54    33   0.15250 -1.0 2.0
   46    50   -54    33  -0.50650  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.67800  1.0 1.0
   46    50    54    56   0.47050 -1.0 2.0
   46    50    54    56  -0.62500  1.0 3.0
   50    46    52    53  -0.66100  1.0 1.0
   50    46    52    53   1.20850 -1.0 2.0
   50    46    52    53  -0.36000  1.0 3.0
   50    54    56    57  -0.07800  1.0 1.0
   50    54    56    57  -0.21500 -1.0 2.0
   50    54    56    57  -0.03150  1.0 3.0
   51    50    54    33   0.00000  1.0 1.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    56   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    42  -0.95700  1.0 1.0
   54    33   -37    42  -0.18200 -1.0 2.0
   54    33   -37    42   0.29450  1.0 3.0
   54    33    40    41   0.00000  1.0 1.0
   54    33    40    44   0.09850  1.0 1.0
   54    33    40    44   0.15250 -1.0 2.0
   54    33    40    44  -0.50650  1.0 3.0
   55    54    56    57   0.19450  1.0 3.0
   52    46    50    51   7.00000 -1.0 2.0
   52    46    50    54   7.00000 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.98800  1.0 1.0
   40    33    37    42   0.48800 -1.0 2.0
   40    33    37    42   0.76800  1.0 3.0
   40    33    54    50   0.31000  1.0 1.0
   40    33    54    50   0.14700 -1.0 2.0
   40    33    54    50   0.07550  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    56   1.05650  1.0 1.0
   40    33    54    56   0.15600 -1.0 2.0
   40    33    54    56   0.53150  1.0 3.0
   40    44    47    48  -0.04000 -1.0 2.0
   40    44    47    48  -0.29050  1.0 3.0
   40    44    47    49  -0.04000 -1.0 2.0
   40    44    47    49  -0.29050  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
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    46    42    43  10.50000 -1.0 2.0
   42    52    46    50   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   47    45    44    40  15.00000 -1.0 2.0
   48    44    47    49  10.50000 -1.0 2.0
END
