* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    109    161     320
    1     0 S   NP   _N1_     1    29.15790    95.71289   -20.21846
    2     1 S   H    _HN1     2     1.02863    83.28623    12.78665
    3     1 S   H    _H1_     3     1.02951    42.90794   137.40344
    4     1 S   H    _H2_     4     1.02800    82.73183   -96.58639
    5     1 S   CT   _CA1     5     1.50445   153.01850   137.85785
    6     5 S   HC   _HA1     6     1.09689   104.69245    62.68817
    7     5 S   CO3  _C1_     7     1.54452   110.83512   -53.47371
    8     7 S   O2Z  _O11     8     1.26096   116.64362  -112.52678
    9     7 S   O2Z  _O12     9     1.26520   113.79553    66.01171
   10     5 S   CT   _CB1    10     1.53091   107.05966   178.71732
   11    10 S   HC   HB11    11     1.09829   109.96982   -44.01143
   12    10 S   HC   HB12    12     1.09782   110.26130    72.68724
   13    10 S   CT   _CG1    13     1.53003   112.17641  -164.63231
   14    13 S   HC   HG11    14     1.09335   110.70217   -54.09583
   15    13 S   HC   HG12    15     1.09652   109.96906    64.60828
   16    13 S   C    _CD1    16     1.51712   112.10330  -175.48499
   17    16 S   O    _OE1    17     1.22767   123.04552   -14.56348
   18    16 S   N    _N2_    18     1.38618   111.87322   166.87406
   19    18 S   H    _HN2    19     1.01607   119.20472     0.27196
   20    18 S   CT1  _CA2    20     1.46133   123.27586   178.65739
   21    20 S   HC   _HA2    21     1.09731   109.25329     0.14804
   22    20 S   C    _C2_    22     1.53527   109.12414  -115.45672
   23    22 S   O    _O2_    23     1.23081   122.15653  -152.32011
   24    20 S   CT   _CB2    32     1.53341   111.57653   121.92795
   25    24 S   HC   HB21    33     1.09451   110.01003    60.63967
   26    24 S   HC   HB22    34     1.09545   110.22832   178.19030
   27    22 S   N    _N3_    24     1.38298   113.84527    35.16139
   28    27 S   H    _HN3    25     1.01597   119.47158    -3.86402
   29    24 S   S    _SG2    35     1.83023   111.55843   -63.32573
   30    27 S   CT   _CA3    26     1.45278   123.20473   177.08671
   31    30 S   HC   HA31    27     1.09551   107.48651   -64.71700
   32    30 S   HC   HA32    28     1.09557   108.00275    51.70909
   33    29 S   CT   _C8_    36     1.85712   100.97291   124.20559
   34    30 S   CO3  _C3_    29     1.52948   114.11003   173.66996
   35    34 S   O2Z  _O31    30     1.26372   116.06469    -2.29712
   36    34 S   O2Z  _O32    31     1.26438   114.40781   177.78857
   37    33 S   CT   _C7_    37     1.54114   112.46806  -164.80163
   38    37 S   HC   _H5_    38     1.09786   109.10811  -154.17647
   39    33 S   CT   _C9_    57     1.53854   109.38313    70.71248
   40    39 S   HC   _H8_    58     1.09551   111.93522   -56.86693
   41    39 S   HC   _H9_    59     1.09640   109.81265  -174.27200
   42    37 S   CT   _C6_    39     1.51809   103.44136    91.44302
   43    42 S   HC   _H4_    40     1.09413   112.82267   158.53399
   44    37 S   OH   _O35    55     1.41434   115.57200   -33.90520
   45    44 S   HO   _H11    56     0.97194   107.68112   163.04929
   46    39 S   OH   _O34    60     1.42093   111.90117    65.94995
   47    46 S   HO   _H10    61     0.97229   106.99539   179.30339
   48    42 S   CT   _C5_    41     1.52274   101.96887    35.52971
   49    48 S   HC   _H3_    42     1.09393   112.49543  -147.26725
   50    42 S   OH   _O36    53     1.42480   110.49794   -81.23687
   51    50 S   HO   _H12    54     0.97661   107.20365   178.02167
   52    33 S   OS   _O33    43     1.44745   110.26420   -47.98626
   53    48 S   CT   _C4_    44     1.52730   112.91047    87.74935
   54    53 S   HC   _H6_    45     1.09431   110.66008    56.00379
   55    53 S   HC   _H7_    46     1.09447   111.57179   -64.94436
   56    53 S   OS   _O37    47     1.42536   108.57642   173.62714
   57    56 S   P2   _P1_    48     1.63090   119.57085   128.41443
   58    57 S   O2Z  _O40    49     1.51156   108.45572   176.72446
   59    57 S   O2Z  _O38    50     1.51149   110.08206   -49.10578
   60    57 S   OS   _O39    51     1.63100    99.13845    64.72803
   61    60 S   HO   _H13    52     0.97889   115.96608    82.33535
  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  11   5   4   3
  16   2   1   1  15   8   8   4   3  12   7   4   1   2   1   9
   6   3   1   4   7   3   2   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    52    44    39    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    48    49    52    53    50    44    45    39    40    41    46    47  
   35    36  
   36  
    0  
   38    42    43    48    49    52    53    50    51    44    45    39    40    41    46  
   42    43    48    52    50    44    45    39  
   40    41    46    47    42    44    48    52  
   41    46    47    52  
   46    47    52  
   43    48    49    52    53    54    55    56    50    51    44    45  
   48    49    52    53    50    51    44  
   45    48    50    52  
    0  
   47    52  
    0  
   49    52    53    54    55    56    57    50    51  
   52    53    54    55    56    50  
   51    52    53  
    0  
   53    54    55    56  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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   0.348900   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.080000   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   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    52   320.000  1.410
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    44   320.000  1.410
   42    43   340.000  1.090
   42    48   268.000  1.529
   42    50   320.000  1.410
   48    49   340.000  1.090
   48    52   320.000  1.410
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   320.000  1.410
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   553.000  0.945
   50    51   553.000  0.945
   44    45   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   320.000  1.410
   46    47   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    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    52    85.00000  114.68000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    44    50.00000  109.50000
   33    52    48    60.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    42    50    50.00000  109.50000
   37    44    45    55.00000  108.50000
   42    37    38    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    52    50.00000  109.50000
   42    48    53    58.35000  112.70000
   42    50    51    55.00000  108.50000
   48    42    43    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    50.00000  109.50000
   52    33    37    50.00000  109.50000
   52    48    49    35.00000  109.50000
   53    48    49    37.50000  110.70000
   53    48    52    50.00000  109.50000
   53    56    57   100.00000  120.50000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61    45.00000  108.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   50    42    43    35.00000  109.50000
   50    42    48    50.00000  109.50000
   44    37    38    35.00000  109.50000
   44    37    42    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    52    50.00000  109.50000
   39    46    47    55.00000  108.50000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    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    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    52   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    48   0.14700  1.0 1.0
   29    33    52    48  -1.16150 -1.0 2.0
   29    33    52    48   0.48700  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37   -42    48   0.56750  1.0 1.0
   33    37   -42    48  -0.07550 -1.0 2.0
   33    37   -42    48   0.20000  1.0 3.0
   33    37    42    50   0.86500  1.0 1.0
   33    37    42    50  -0.17500 -1.0 2.0
   33    37    42    50   0.20800  1.0 3.0
   33    37    44    45  -0.11600  1.0 1.0
   33    37    44    45  -0.09450 -1.0 2.0
   33    37    44    45   0.21250  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   37    33   -52    48   0.06250  1.0 1.0
   37    33   -52    48  -0.01100 -1.0 2.0
   37    33   -52    48   0.28050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    46   0.86500  1.0 1.0
   37    33    39    46  -0.17500 -1.0 2.0
   37    33    39    46   0.20800  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42   -48    52   0.62750  1.0 1.0
   37    42   -48    52  -0.30950 -1.0 2.0
   37    42   -48    52   0.27300  1.0 3.0
   37    42    48    53   0.56750  1.0 1.0
   37    42    48    53  -0.07550 -1.0 2.0
   37    42    48    53   0.20000  1.0 3.0
   37    42    50    51  -0.11600  1.0 1.0
   37    42    50    51  -0.09450 -1.0 2.0
   37    42    50    51   0.21250  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    42    50   0.23400  1.0 3.0
   38    37    44    45   0.19450  1.0 3.0
   42    37    44    45  -0.11600  1.0 1.0
   42    37    44    45  -0.09450 -1.0 2.0
   42    37    44    45   0.21250  1.0 3.0
   42    48   -52    33   0.06250  1.0 1.0
   42    48   -52    33  -0.01100 -1.0 2.0
   42    48   -52    33   0.28050  1.0 3.0
   42    48    53    54   0.15000  1.0 3.0
   42    48    53    55   0.15000  1.0 3.0
   42    48    53    56   0.62750  1.0 1.0
   42    48    53    56  -0.30950 -1.0 2.0
   42    48    53    56   0.27300  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    52   0.23400  1.0 3.0
   43    42    48    53   0.15000  1.0 3.0
   43    42    50    51   0.19450  1.0 3.0
   48    42    50    51  -0.11600  1.0 1.0
   48    42    50    51  -0.09450 -1.0 2.0
   48    42    50    51   0.21250  1.0 3.0
   48    53    56    57  -2.65550  1.0 1.0
   48    53    56    57  -0.22350 -1.0 2.0
   48    53    56    57   0.24150  1.0 3.0
   49    48    52    33   0.37050  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.23400  1.0 3.0
   52    33    37    38   0.23400  1.0 3.0
   52    33   -37    42   0.62750  1.0 1.0
   52    33   -37    42  -0.30950 -1.0 2.0
   52    33   -37    42   0.27300  1.0 3.0
   52    33    37    44   3.69350  1.0 1.0
   52    33    37    44  -1.82950 -1.0 2.0
   52    33    39    40   0.23400  1.0 3.0
   52    33    39    41   0.23400  1.0 3.0
   52    33    39    46   3.69350  1.0 1.0
   52    33    39    46  -1.82950 -1.0 2.0
   52    48    53    54   0.23400  1.0 3.0
   52    48    53    55   0.23400  1.0 3.0
   52    48    53    56   1.11900  1.0 1.0
   52    48    53    56  -1.16350 -1.0 2.0
   52    48    53    56  -0.34150  1.0 3.0
   53    48    52    33   0.06250  1.0 1.0
   53    48    52    33  -0.01100 -1.0 2.0
   53    48    52    33   0.28050  1.0 3.0
   53    56    57    58   0.00000  1.0 1.0
   53    56    57    59   0.00000  1.0 1.0
   53    56    57    60   0.05050  1.0 1.0
   53    56    57    60  -1.30700 -1.0 2.0
   53    56    57    60   0.91550  1.0 3.0
   54    53    56    57   0.03000  1.0 3.0
   55    53    56    57   0.03000  1.0 3.0
   56    57    60    61   0.00000  1.0 1.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   50    42    48    49   0.23400  1.0 3.0
   50    42    48    52   3.69350  1.0 1.0
   50    42    48    52  -1.82950 -1.0 2.0
   50    42    48    53   0.86500  1.0 1.0
   50    42    48    53  -0.17500 -1.0 2.0
   50    42    48    53   0.20800  1.0 3.0
   44    37    42    43   0.23400  1.0 3.0
   44    37    42    48   0.86500  1.0 1.0
   44    37    42    48  -0.17500 -1.0 2.0
   44    37    42    48   0.20800  1.0 3.0
   44    37    42    50   3.75450  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    44   0.86500  1.0 1.0
   39    33    37    44  -0.17500 -1.0 2.0
   39    33    37    44   0.20800  1.0 3.0
   39    33    52    48   0.06250  1.0 1.0
   39    33    52    48  -0.01100 -1.0 2.0
   39    33    52    48   0.28050  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   41    39    46    47   0.19450  1.0 3.0
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
END
