* LIGAND DATABASE FILE (OPLS2005)
*
001      64    66    118    190     349
    1     0 S   NP   _N1_     1    28.06908    96.32361   -23.25460
    2     1 S   H    _HN1     2     1.02835    30.70440   147.26810
    3     1 S   H    _H1_     3     1.02776   105.82590  -114.21397
    4     1 S   H    _H2_     4     1.02957    79.11350    -8.04318
    5     1 S   CT   _CA1     5     1.50128   134.37638    99.90730
    6     5 S   HC   _HA1     6     1.09575   105.21624    82.85389
    7     5 S   CO3  _C1_     7     1.53785   112.36933   -37.33849
    8     7 S   O2Z  _O11     8     1.26365   114.99753   -43.80140
    9     7 S   O2Z  _O12     9     1.26237   114.93228   135.31011
   10     5 S   CT   _CB1    10     1.53098   107.42242  -159.23430
   11    10 S   HC   HB11    11     1.09827   109.33030   -50.52105
   12    10 S   HC   HB12    12     1.09816   110.42635    66.03388
   13    10 S   CT   _CG1    13     1.53018   112.67281  -171.59543
   14    13 S   HC   HG11    14     1.09594   110.48870   -64.42677
   15    13 S   HC   HG12    15     1.09657   109.91909    54.77355
   16    13 S   C    _CD1    16     1.51842   112.32243   175.14215
   17    16 S   O    _OE1    17     1.22750   123.29442     0.32865
   18    16 S   N    _N2_    18     1.38566   111.71051  -179.68847
   19    18 S   H    _HN2    19     1.01563   118.99626     4.55802
   20    18 S   CT1  _CA2    20     1.45817   122.89025   177.80554
   21    20 S   HC   _HA2    21     1.09731   108.95174    23.08354
   22    20 S   C    _C2_    22     1.52920   107.05750   -93.91924
   23    22 S   O    _O2_    23     1.22969   123.05739   -26.36283
   24    20 S   CT   _CB2    32     1.53183   112.22740   146.19837
   25    24 S   HC   HB21    33     1.09602   110.27634    53.96658
   26    24 S   HC   HB22    34     1.09437   110.08648   172.82427
   27    22 S   N    _N3_    24     1.38494   112.52580   156.40705
   28    27 S   H    _HN3    25     1.01652   120.36672    -2.28345
   29    24 S   S    _SG2    35     1.82659   111.12842   -66.55955
   30    27 S   CT   _CA3    26     1.45357   122.52198   178.53286
   31    30 S   HC   HA31    27     1.09564   107.86744   -54.96865
   32    30 S   HC   HA32    28     1.09561   107.56978    61.38605
   33    29 S   CT   _C13    36     1.84125    99.32522   178.49065
   34    33 S   HC   _H3_    37     1.09609   108.07932   -42.42209
   35    30 S   CO3  _C3_    29     1.52898   114.27644  -176.85683
   36    35 S   O2Z  _O31    30     1.26344   116.03730     1.48662
   37    35 S   O2Z  _O32    31     1.26433   114.41959  -178.56960
   38    33 S   CM   _C10    38     1.49956   107.18671  -158.27478
   39    38 S   HC   _H24    39     1.09176   114.96725    61.68550
   40    38 S   CMA  _C11    40     1.35421   126.98545  -120.62912
   41    40 S   OM   _O14    41     1.26566   123.27366  -177.52979
   42    40 S   OS   _O15    42     1.39963   116.83330     0.73701
   43    42 S   CT   _C15    43     1.42797   119.32808    23.06803
   44    43 S   HC   _H28    44     1.09573   109.28050    79.00762
   45    33 S   CT   _C14    45     1.52098   110.75848    78.83772
   46    45 S   HC   _H27    46     1.09703   111.89917   -30.13410
   47    45 S   OS   _O16    47     1.44167   110.57044  -147.00653
   48    47 S   CT   _C12    48     1.44440   107.60853  -154.62276
   49    48 S   HC   _H25    49     1.09741   105.82506  -107.80827
   50    48 S   CA   _C9_    50     1.51262   111.32669   134.68777
   51    43 S   CT   _C16    61     1.51950   107.09006  -157.91506
   52    51 S   HC   _H29    62     1.09537   113.09309   -36.90941
   53    50 S   CA   _C7_    51     1.40413   119.12897   156.03096
   54    53 S   HA   _H22    52     1.08750   120.25510    -0.74651
   55    51 S   OH   _O17    63     1.42754   109.07989  -156.90634
   56    55 S   HO   _H30    64     0.97261   107.37397  -179.30114
   57    53 S   CA   _C5_    53     1.39612   120.75808   179.20009
   58    57 S   HA   _H20    54     1.08620   119.96202   179.92338
   59    57 S   CA   _C4_    55     1.39268   120.03618    -0.21489
   60    59 S   HA   _H19    56     1.08601   120.09264  -179.87646
   61    59 S   CA   _C6_    57     1.39292   119.86009    -0.05234
   62    61 S   HA   _H21    58     1.08634   120.02754  -179.68721
   63    50 S   CA   _C8_    59     1.40203   122.33306   -25.22944
   64    63 S   HA   _H23    60     1.08700   120.74664     0.58717
  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
  13   7   2   1   1   8   4   6   2   9  11   7   8   3   8  12
   6  12   5   2   8   4   1   1   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    51  
   38    39    40    43    45    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    45    46    47  
   40    41    42    45  
   41    42    43    44    45    51  
   42    43  
   43    44    45    46    47    48    51    52    55  
   44    45    46    47    48    49    50    51    52    55    56  
   45    46    47    48    51    52    55  
   46    47    48    49    50    51    52    55  
   47    48    51  
   48    49    50    53    63    51    52    55  
   49    50    53    54    57    61    63    64    51    52    55    56  
   50    53    63    51    52    55  
   53    54    57    58    59    61    62    63    64    51    52    55  
   52    55    56    53    63  
   55    56  
   54    57    58    59    60    61    63    64  
   57    58    59    63  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    45   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    51   268.000  1.529
   45    46   340.000  1.090
   45    47   320.000  1.410
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    51   268.000  1.529
   50    53   469.000  1.400
   50    63   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   51    52   340.000  1.090
   51    55   320.000  1.410
   55    56   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    58.35000  112.70000
   33    45    46    37.50000  110.70000
   33    45    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   40    38    39    40.00000  120.50800
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    51    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    50.00000  109.50000
   43    51    48    58.35000  112.70000
   43    51    52    37.50000  110.70000
   43    51    55    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    43    44    37.50000  110.70000
   45    47    48    60.00000  109.50000
   47    45    46    35.00000  109.50000
   47    48    49    35.00000  109.50000
   47    48    50    85.00000  111.85700
   47    48    51    50.00000  109.50000
   48    50    53    70.00000  120.00000
   48    50    63    70.00000  120.00000
   48    51    52    37.50000  110.70000
   48    51    55    50.00000  109.50000
   50    48    49    35.00000  109.50000
   50    53    54    35.00000  120.00000
   50    53    57    63.00000  120.00000
   50    63    61    63.00000  120.00000
   50    63    64    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    59    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   63    50    53    63.00000  120.00000
   63    61    62    35.00000  120.00000
   51    43    44    37.50000  110.70000
   51    43    45    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.17500
   51    55    56    55.00000  108.50000
   55    51    52    35.00000  109.50000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    43   0.44750  1.0 1.0
   29    33    45    43  -0.17800 -1.0 2.0
   29    33    45    43   0.20200  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.56750  1.0 1.0
   29    33    45    47  -0.07550 -1.0 2.0
   29    33    45    47   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    45    47    48   0.06250  1.0 1.0
   33    45    47    48  -0.01100 -1.0 2.0
   33    45    47    48   0.28050  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    43   0.15000  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    47   0.23400  1.0 3.0
   38    33    45    43   0.34400  1.0 1.0
   38    33    45    43   0.09450 -1.0 2.0
   38    33    45    43   0.11100  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    47   0.61850  1.0 1.0
   38    33    45    47  -0.22750 -1.0 2.0
   38    33    45    47   0.15300  1.0 3.0
   38    40   -42    43  -2.26850  1.0 1.0
   38    40   -42    43   3.39050 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42    43    51  -0.46850  1.0 1.0
   40    42    43    51   0.09300 -1.0 2.0
   40    42    43    51  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    33   0.62750  1.0 1.0
   42    43   -45    33  -0.30950 -1.0 2.0
   42    43   -45    33   0.27300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   1.11900  1.0 1.0
   42    43    45    47  -1.16350 -1.0 2.0
   42    43    45    47  -0.34150  1.0 3.0
   42    43    51    48   0.62750  1.0 1.0
   42    43    51    48  -0.30950 -1.0 2.0
   42    43    51    48   0.27300  1.0 3.0
   42    43    51    52   0.23400  1.0 3.0
   42    43    51    55   3.69350  1.0 1.0
   42    43    51    55  -1.82950 -1.0 2.0
   43    45   -47    48   0.06250  1.0 1.0
   43    45   -47    48  -0.01100 -1.0 2.0
   43    45   -47    48   0.28050  1.0 3.0
   43    51    55    56  -0.11600  1.0 1.0
   43    51    55    56  -0.09450 -1.0 2.0
   43    51    55    56   0.21250  1.0 3.0
   44    43    45    33   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.23400  1.0 3.0
   44    43    51    48   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    55   0.23400  1.0 3.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40   0.09850  1.0 1.0
   45    33   -38    40   0.15250 -1.0 2.0
   45    33   -38    40  -0.50650  1.0 3.0
   45    43   -51    48   0.56750  1.0 1.0
   45    43   -51    48  -0.07550 -1.0 2.0
   45    43   -51    48   0.20000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    55   0.86500  1.0 1.0
   45    43    51    55  -0.17500 -1.0 2.0
   45    43    51    55   0.20800  1.0 3.0
   45    47    48    49   0.37050  1.0 3.0
   45    47    48    50   0.37500  1.0 3.0
   45    47   -48    51   0.06250  1.0 1.0
   45    47   -48    51  -0.01100 -1.0 2.0
   45    47   -48    51   0.28050  1.0 3.0
   46    45    47    48   0.37050  1.0 3.0
   47    48    50    53   0.64500  1.0 1.0
   47    48    50    53   0.14800 -1.0 2.0
   47    48    50    53   0.20650  1.0 3.0
   47    48    50    63   0.64500  1.0 1.0
   47    48    50    63   0.14800 -1.0 2.0
   47    48    50    63   0.20650  1.0 3.0
   47    48   -51    43   0.62750  1.0 1.0
   47    48   -51    43  -0.30950 -1.0 2.0
   47    48   -51    43   0.27300  1.0 3.0
   47    48    51    52   0.23400  1.0 3.0
   47    48    51    55   3.69350  1.0 1.0
   47    48    51    55  -1.82950 -1.0 2.0
   48    50    53    54   3.62500 -1.0 2.0
   48    50    53    57   3.62500 -1.0 2.0
   48    50    63    61   3.62500 -1.0 2.0
   48    50    63    64   3.62500 -1.0 2.0
   48    51    55    56  -0.11600  1.0 1.0
   48    51    55    56  -0.09450 -1.0 2.0
   48    51    55    56   0.21250  1.0 3.0
   49    48    50    53   0.00000  1.0 1.0
   49    48    50    63   0.00000  1.0 1.0
   49    48    51    43   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    55   0.23400  1.0 3.0
   50    48    51    43  -0.03700  1.0 1.0
   50    48    51    43   0.37200 -1.0 2.0
   50    48    51    43  -0.47300  1.0 3.0
   50    48    51    52   0.43200  1.0 3.0
   50    48    51    55   1.13150  1.0 1.0
   50    48    51    55  -1.01400 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    59   3.62500 -1.0 2.0
   53    50    63    61   3.62500 -1.0 2.0
   53    50    63    64   3.62500 -1.0 2.0
   53    57    59    60   3.62500 -1.0 2.0
   53    57   -59    61   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    59   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59    61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61   -63    50   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   62    61    63    50   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    50    53    54   3.62500 -1.0 2.0
   63    50   -53    57   3.62500 -1.0 2.0
   51    43    45    33   0.56750  1.0 1.0
   51    43    45    33  -0.07550 -1.0 2.0
   51    43    45    33   0.20000  1.0 3.0
   51    43    45    46   0.15000  1.0 3.0
   51    43   -45    47   0.62750  1.0 1.0
   51    43   -45    47  -0.30950 -1.0 2.0
   51    43   -45    47   0.27300  1.0 3.0
   51    48    50    53   0.04150 -1.0 2.0
   51    48    50    63   0.04150 -1.0 2.0
   52    51    55    56   0.19450  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   53    63    50    48   4.00000 -1.0 2.0
   57    54    53    50   1.10000 -1.0 2.0
   59    58    57    53   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    64    63    50   1.10000 -1.0 2.0
END
