* LIGAND DATABASE FILE (OPLS2005)
*
001      64    66    117    182     339
    1     0 S   NP   _N1_     1    29.43718    90.77430   -22.48557
    2     1 S   H    _HN1     2     1.02817    10.36367   134.63445
    3     1 S   H    _H1_     3     1.02801    99.70198   -82.33162
    4     1 S   H    _H2_     4     1.02972   104.46391    29.41509
    5     1 S   CT   _CA1     5     1.50101   120.68287   154.20988
    6     5 S   HC   _HA1     6     1.09564   105.26795    54.05343
    7     5 S   CO3  _C1_     7     1.53773   112.30061   -66.25832
    8     7 S   O2Z  _O11     8     1.26372   114.99627   -43.05340
    9     7 S   O2Z  _O12     9     1.26241   114.93038   136.09138
   10     5 S   CT   _CB1    10     1.53033   107.47248   172.01662
   11    10 S   HC   HB11    11     1.09808   109.29563   -50.09760
   12    10 S   HC   HB12    12     1.09749   110.27316    66.48556
   13    10 S   CT   _CG1    13     1.53095   112.92490  -171.51756
   14    13 S   HC   HG11    14     1.09582   110.26418   -63.07150
   15    13 S   HC   HG12    15     1.09614   110.26406    56.25156
   16    13 S   C    _CD1    16     1.51787   111.91636   176.24641
   17    16 S   O    _OE1    17     1.22754   123.05850   -13.50732
   18    16 S   N    _N2_    18     1.38654   112.12882   167.27914
   19    18 S   H    _HN2    19     1.01574   119.29913     2.06583
   20    18 S   CT1  _CA2    20     1.46099   122.87785  -177.50127
   21    20 S   HC   _HA2    21     1.09579   109.14023    -7.26712
   22    20 S   C    _C2_    22     1.53417   109.19644  -122.45730
   23    22 S   O    _O2_    23     1.23046   121.99639  -149.03877
   24    20 S   CT   _CB2    32     1.53582   112.01156   114.66214
   25    24 S   HC   HB21    33     1.09664   109.42372    68.47577
   26    24 S   HC   HB22    34     1.09582   110.69573  -174.48868
   27    22 S   N    _N3_    24     1.38440   113.59303    38.52730
   28    27 S   H    _HN3    25     1.01511   118.94855    -0.77506
   29    24 S   S    _SG2    35     1.82851   115.20650   -50.95406
   30    27 S   CT   _CA3    26     1.45438   123.41838   174.87233
   31    30 S   HC   HA31    27     1.09526   109.21631    25.23016
   32    30 S   HC   HA32    28     1.09496   107.14495   142.23393
   33    29 S   CT   _C13    36     1.82633   100.42070   -67.11523
   34    33 S   HC   _H10    37     1.09419   108.42718   -71.86369
   35    33 S   HC   _H11    38     1.09233   109.32238    47.03907
   36    30 S   CO3  _C3_    29     1.52922   113.06029   -98.22073
   37    36 S   O2Z  _O31    30     1.26407   115.38440   -45.54124
   38    36 S   O2Z  _O32    31     1.26352   115.00037   135.36970
   39    33 S   CT   _C12    39     1.52650   109.82964   167.08538
   40    39 S   HC   _H5_    40     1.09811   111.13374    51.09261
   41    39 S   CT   _C11    41     1.52264   112.79573   174.68961
   42    41 S   HC   _H8_    42     1.09594   110.40993    40.43006
   43    41 S   HC   _H9_    43     1.09418   111.74371   -80.72347
   44    41 S   CT   _C10    44     1.51426   102.24849   157.05529
   45    44 S   HC   _H4_    45     1.09440   112.63213  -154.80570
   46    44 S   CO   _C9_    46     1.52890   103.57737   -30.57819
   47    46 S   HC   _H3_    47     1.09553   111.63880   131.58749
   48    44 S   OH   _O34    63     1.42655   108.60736    86.19271
   49    48 S   HO   _H12    64     0.97291   107.54888  -179.09367
   50    46 S   N*   _N6_    48     1.45062   114.14987  -105.48634
   51    39 S   OS   _O33    62     1.43801   110.23262   -68.60474
   52    50 S   CRAB _C8_    49     1.36988   126.75998    63.84057
   53    52 S   HA   _H7_    50     1.08143   122.71145    -0.37115
   54    52 S   NNA  _N7_    51     1.31622   112.11678   179.04530
   55    54 S   C56B _C6_    52     1.37397   104.98890    -0.45456
   56    50 S   C56A _C7_    53     1.36923   126.09899  -117.58555
   57    56 S   NB   _N5_    54     1.34194   127.99481     0.67869
   58    57 S   CQ   _C4_    55     1.34656   110.79039  -178.77603
   59    58 S   HA   _H6_    56     1.08495   115.81002   179.79064
   60    58 S   NB   _N4_    57     1.35372   128.58479    -0.00000
   61    55 S   CA   _C5_    58     1.40320   131.61819  -178.81568
   62    61 S   NND  _N8_    59     1.38110   122.20202    -0.09487
   63    62 S   H    _H13    60     1.01121   120.35024    -2.55987
   64    62 S   H    _H14    61     1.01044   119.38189  -178.33528
  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
  10   5   4   2   1   1  11   6  10   6   5   9   6  11   5   3
   1   9   2   6   3   6   8   6   4   4   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    51  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    48  
   41    42    43    44    46    51  
   42    43    44    45    46    47    50    51    48    49  
   43    44    45    46    51    48  
   44    45    46    51    48  
   45    46    47    50    52    56    51    48    49  
   46    47    50    51    48    49  
   47    50    52    53    54    55    56    57    51    48    49  
   50    52    56    51    48  
   49    50    51  
    0  
   52    53    54    55    56    57    58    61    51  
   52    56  
   53    54    55    56    57    61  
   54    55    56  
   55    56    57    60    61    62  
   56    57    58    60    61    62    63    64  
   57    58    59    60    61    62  
   58    59    60    61  
   59    60    61    62  
   60    61  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   51   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   58   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   250.000  1.527
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    50   275.000  1.479
   46    51   320.000  1.380
   50    52   440.000  1.371
   50    56   436.000  1.374
   52    53   367.000  1.080
   52    54   529.000  1.304
   54    55   414.000  1.391
   55    56   447.000  1.419
   55    61   469.000  1.404
   56    57   461.000  1.354
   57    58   502.000  1.324
   58    59   367.000  1.080
   58    60   502.000  1.324
   60    61   483.000  1.339
   61    62   481.000  1.340
   62    63   434.000  1.010
   62    64   434.000  1.010
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    51    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    51    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    75.00000  109.43000
   41    44    48    50.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    47    45.00000  112.01100
   44    46    50    75.00000  107.44000
   44    46    51    90.00000  108.56700
   44    48    49    55.00000  108.50000
   46    44    45    45.00000  108.72000
   46    50    52    70.00000  128.80000
   46    50    56    70.00000  125.80000
   50    46    47    55.00000  103.44000
   50    52    53    35.00000  123.05000
   50    52    54    70.00000  113.90000
   50    56    55    70.00000  106.20000
   50    56    57    70.00000  126.20000
   52    54    55    70.00000  103.80000
   54    52    53    35.00000  123.05000
   54    55    56    70.00000  110.40000
   54    55    61    70.00000  132.40000
   55    56    57    70.00000  127.70000
   55    61    60    70.00000  117.30000
   55    61    62    70.00000  123.50000
   56    50    52    70.00000  105.40000
   56    57    58    70.00000  111.00000
   57    58    59    35.00000  115.45000
   57    58    60    70.00000  129.10000
   58    60    61    70.00000  118.60000
   60    58    59    35.00000  115.45000
   60    61    62    70.00000  119.30000
   61    55    56    85.00000  116.20000
   61    62    63    35.00000  120.00000
   61    62    64    35.00000  120.00000
   64    62    63    35.00000  120.00000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    46    47    35.00000  109.50000
   51    46    50   105.00000  106.22000
   48    44    45    35.00000  109.50000
   48    44    46    90.00000  111.58700
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    51    46   0.06250  1.0 1.0
   33    39    51    46  -0.01100 -1.0 2.0
   33    39    51    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41   -44    46   3.97050  1.0 1.0
   39    41    44    48   0.86500  1.0 1.0
   39    41    44    48  -0.17500 -1.0 2.0
   39    41    44    48   0.20800  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    51    46   0.37050  1.0 3.0
   41    39   -51    46   0.06250  1.0 1.0
   41    39   -51    46  -0.01100 -1.0 2.0
   41    39   -51    46   0.28050  1.0 3.0
   41    44    46    47   0.15000  1.0 3.0
   41    44    46    50  -0.64600  1.0 1.0
   41    44    46    50   0.58400 -1.0 2.0
   41    44   -46    51   0.62750  1.0 1.0
   41    44   -46    51  -0.30950 -1.0 2.0
   41    44   -46    51   0.27300  1.0 3.0
   41    44    48    49  -0.11600  1.0 1.0
   41    44    48    49  -0.09450 -1.0 2.0
   41    44    48    49   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    48   0.23400  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    48   0.23400  1.0 3.0
   44    46    50    52   1.10250  1.0 1.0
   44    46    50    52   0.01650 -1.0 2.0
   44    46    50    52   0.39100  1.0 3.0
   44    46    50    56   1.10250  1.0 1.0
   44    46    50    56   0.01650 -1.0 2.0
   44    46    50    56   0.39100  1.0 3.0
   44    46   -51    39   0.06250  1.0 1.0
   44    46   -51    39  -0.01100 -1.0 2.0
   44    46   -51    39   0.28050  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44    48    49   0.19450  1.0 3.0
   46    44    48    49  -0.11600  1.0 1.0
   46    44    48    49  -0.09450 -1.0 2.0
   46    44    48    49   0.21250  1.0 3.0
   46    50    52    53   3.62500 -1.0 2.0
   46    50    52    54   3.62500 -1.0 2.0
   46    50    56    55   0.81400  1.0 1.0
   46    50    56    55   1.55550 -1.0 2.0
   46    50    56    57   3.62500 -1.0 2.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    56   0.00000  1.0 1.0
   47    46    51    39   0.37050  1.0 3.0
   50    46    51    39  -2.37750  1.0 1.0
   50    46    51    39  -0.08150 -1.0 2.0
   50    46    51    39   0.59000  1.0 3.0
   50    52   -54    55   3.62500 -1.0 2.0
   50    56    57    58   3.62500 -1.0 2.0
   52    50   -56    55   0.70250  1.0 1.0
   52    50   -56    55   1.56150 -1.0 2.0
   52    50    56    57   3.62500 -1.0 2.0
   52    54   -55    56   3.62500 -1.0 2.0
   52    54    55    61   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   54    55   -56    50   3.62500 -1.0 2.0
   54    55    56    57   3.62500 -1.0 2.0
   54    55    61    60   3.62500 -1.0 2.0
   54    55    61    62   3.62500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    61    62    63   0.70000 -1.0 2.0
   55    61    62    64   0.70000 -1.0 2.0
   56    50    52    53   3.62500 -1.0 2.0
   56    50   -52    54   3.62500 -1.0 2.0
   56    55    61    60   3.62500 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    57    58    59   3.62500 -1.0 2.0
   56    57   -58    60   3.62500 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   58    60   -61    55   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   60    61    62    63   0.70000 -1.0 2.0
   60    61    62    64   0.70000 -1.0 2.0
   61    55    56    50   3.00000 -1.0 2.0
   61    55   -56    57   3.62500 -1.0 2.0
   51    39    41    42   0.23400  1.0 3.0
   51    39    41    43   0.23400  1.0 3.0
   51    39   -41    44   0.62750  1.0 1.0
   51    39   -41    44  -0.30950 -1.0 2.0
   51    39   -41    44   0.27300  1.0 3.0
   51    46    50    52   0.10350  1.0 1.0
   51    46    50    52  -0.15350 -1.0 2.0
   51    46    50    56   0.10350  1.0 1.0
   51    46    50    56  -0.15350 -1.0 2.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    50   2.76900  1.0 1.0
   48    44    46    50  -0.24350 -1.0 2.0
   48    44    46    50  -0.78250  1.0 3.0
   48    44    46    51   3.69350  1.0 1.0
   48    44    46    51  -1.82950 -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
   52    56    50    46   4.00000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   56    61    55    54   4.00000 -1.0 2.0
   55    57    56    50   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   60    62    61    55   4.00000 -1.0 2.0
   64    61    62    63   1.00000 -1.0 2.0
END
