* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    109    165     324
    1     0 S   NP   _N1_     1    29.16298    93.80417   -19.27921
    2     1 S   H    _HN1     2     1.02970   104.34730    29.36454
    3     1 S   H    _H1_     3     1.02838    33.92389   128.72367
    4     1 S   H    _H2_     4     1.02780    77.11670   -76.53176
    5     1 S   CT   _CA1     5     1.50161   137.90593   174.45080
    6     5 S   HC   _HA1     6     1.09568   105.25742    34.13227
    7     5 S   CO3  _C1_     7     1.53871   112.15286   -86.09567
    8     7 S   O2Z  _O11     8     1.26404   115.08393   -45.90743
    9     7 S   O2Z  _O12     9     1.26228   114.86042   133.10078
   10     5 S   CT   _CB1    10     1.53053   107.36227   152.02297
   11    10 S   HC   HB11    11     1.09823   109.47771   -49.35475
   12    10 S   HC   HB12    12     1.09829   110.24679    67.06068
   13    10 S   CT   _CG1    13     1.53122   112.87102  -170.49320
   14    13 S   HC   HG11    14     1.09521   110.41494   -56.86290
   15    13 S   HC   HG12    15     1.09599   110.28617    62.21887
   16    13 S   C    _CD1    16     1.51885   111.53977  -177.96010
   17    16 S   O    _OE1    17     1.22794   122.81113   -21.81205
   18    16 S   N    _N2_    18     1.38568   112.19091   159.14312
   19    18 S   H    _HN2    19     1.01579   119.24001     1.40556
   20    18 S   CT1  _CA2    20     1.46255   123.25055  -177.18707
   21    20 S   HC   _HA2    21     1.09735   109.23858   -11.42362
   22    20 S   C    _C2_    22     1.53414   108.62817  -127.07116
   23    22 S   O    _O2_    23     1.23025   122.22558  -147.83332
   24    20 S   CT   _CB2    32     1.53527   111.65704   110.37655
   25    24 S   HC   HB21    33     1.09494   110.22386    59.92387
   26    24 S   HC   HB22    34     1.09548   110.22735   177.56651
   27    22 S   N    _N3_    24     1.38513   113.44757    39.70875
   28    27 S   H    _HN3    25     1.01521   118.88162    -0.71107
   29    24 S   S    _SG2    35     1.82951   111.86452   -63.72645
   30    27 S   CT   _CA3    26     1.45442   123.44089   175.12846
   31    30 S   HC   HA31    27     1.09526   109.21583    24.87718
   32    30 S   HC   HA32    28     1.09497   107.12805   141.86689
   33    29 S   CT   _C10    36     1.85796   100.27119   133.32496
   34    33 S   HC   _H3_    37     1.09625   105.11978    47.90234
   35    30 S   CO3  _C3_    29     1.52920   113.12563   -98.59315
   36    35 S   O2Z  _O31    30     1.26405   115.40622   -44.73047
   37    35 S   O2Z  _O32    31     1.26358   114.98488   136.21915
   38    33 S   CT   _C6_    38     1.54225   110.44412   -72.94901
   39    38 S   HC   _H20    39     1.09810   110.10394    47.31920
   40    38 S   CT   _C5_    40     1.53158   112.16173   -71.08800
   41    40 S   HC   _H18    41     1.09652   109.48061    71.54902
   42    40 S   HC   _H19    42     1.09760   110.16921  -173.95305
   43    38 S   CO3  _C4_    58     1.54623   109.26738   159.81614
   44    43 S   O2Z  _O8_    59     1.26553   114.57882   -61.36214
   45    43 S   O2Z  _O33    60     1.26144   116.50866   120.38759
   46    40 S   CT   _C7_    43     1.52826   114.56818   -50.50706
   47    46 S   HC   _H21    44     1.09565   110.51509   -75.07986
   48    46 S   CT   _C8_    45     1.53135   113.19894    48.32439
   49    48 S   HC   _H22    46     1.09594   110.88850    76.56817
   50    46 S   OH   _O13    56     1.43264   108.44374   168.78269
   51    50 S   HO   _H25    57     0.97518   107.71638    48.82632
   52    33 S   CT   _C9_    47     1.54550   111.02500   163.85968
   53    52 S   HC   _H23    48     1.09761   108.69900  -170.48227
   54    48 S   OH   _O14    54     1.43511   107.29871  -168.67851
   55    54 S   HO   _H26    55     0.97690   107.80344   155.71890
   56    52 S   OS   _O15    49     1.43208   109.20399   -52.63227
   57    56 S   P3   _P17    50     1.64685   120.05473  -123.47479
   58    57 S   O2Z  _O9_    51     1.52533   104.14135   -62.36903
   59    57 S   O2Z  _O10    52     1.52496   103.60595   178.18425
   60    57 S   O2Z  _O34    53     1.52452   104.68424    58.32170
  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  10   5   4   3
  17   8   2   1   1  14   8  13   6   5   4   1   1  10   6   9
   6   3   1   8   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    56    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    48    49    52    53    56    57    54    43    44    45  
   38    39    40    48    52    53    56    43  
   36    37  
   37  
    0  
   39    40    41    42    46    47    48    52    53    56    50    43    44    45  
   40    41    42    46    52    43    44    45  
   41    42    46    47    48    49    52    54    50    51    43    44    45  
   42    46    47    48    50    43  
   46    47    48    50    43  
   44    45    46    52  
   45  
    0  
   47    48    49    52    53    56    54    55    50    51  
   48    49    52    54    50    51  
   49    52    53    56    57    54    55    50    51  
   52    53    56    54    55    50  
   51    52    54  
    0  
   53    56    57    58    59    60    54    55  
   56    57    54  
   55    56  
    0  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
   54    55   553.000  0.945
   50    51   553.000  0.945
   43    44   656.000  1.250
   43    45   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    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  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    46    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    46    47    37.50000  110.70000
   40    46    48    58.35000  112.70000
   40    46    50    50.00000  109.50000
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    48    54    50.00000  109.50000
   46    50    51    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    56    50.00000  109.50000
   48    54    55    55.00000  108.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    56    57    80.00000  112.68000
   56    52    53    35.00000  109.50000
   56    57    58   100.00000  107.00000
   56    57    59   100.00000  107.00000
   56    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    70.00000  109.69300
   45    43    44    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   33    52    56    57  -2.65550  1.0 1.0
   33    52    56    57  -0.22350 -1.0 2.0
   33    52    56    57   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    56   0.23400  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40   -46    48   0.56750  1.0 1.0
   38    40   -46    48  -0.07550 -1.0 2.0
   38    40   -46    48   0.20000  1.0 3.0
   38    40    46    50   0.86500  1.0 1.0
   38    40    46    50  -0.17500 -1.0 2.0
   38    40    46    50   0.20800  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   40    38    43    44   0.41150 -1.0 2.0
   40    38    43    45   0.41150 -1.0 2.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    52   0.56750  1.0 1.0
   40    46    48    52  -0.07550 -1.0 2.0
   40    46    48    52   0.20000  1.0 3.0
   40    46    48    54   0.86500  1.0 1.0
   40    46    48    54  -0.17500 -1.0 2.0
   40    46    48    54   0.20800  1.0 3.0
   40    46    50    51  -0.11600  1.0 1.0
   40    46    50    51  -0.09450 -1.0 2.0
   40    46    50    51   0.21250  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    50   0.23400  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    48   0.15000  1.0 3.0
   42    40    46    50   0.23400  1.0 3.0
   46    48   -52    33   0.56750  1.0 1.0
   46    48   -52    33  -0.07550 -1.0 2.0
   46    48   -52    33   0.20000  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    56   0.62750  1.0 1.0
   46    48    52    56  -0.30950 -1.0 2.0
   46    48    52    56   0.27300  1.0 3.0
   46    48    54    55  -0.11600  1.0 1.0
   46    48    54    55  -0.09450 -1.0 2.0
   46    48    54    55   0.21250  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    48    54   0.23400  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51  -0.11600  1.0 1.0
   48    46    50    51  -0.09450 -1.0 2.0
   48    46    50    51   0.21250  1.0 3.0
   48    52    56    57  -2.65550  1.0 1.0
   48    52    56    57  -0.22350 -1.0 2.0
   48    52    56    57   0.24150  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    56   0.23400  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    43  -1.63150  1.0 1.0
   52    33    38    43  -0.43550 -1.0 2.0
   52    33    38    43   0.24500  1.0 3.0
   52    48    54    55  -0.11600  1.0 1.0
   52    48    54    55  -0.09450 -1.0 2.0
   52    48    54    55   0.21250  1.0 3.0
   52    56    57    58   0.00000  1.0 1.0
   52    56    57    59   0.00000  1.0 1.0
   52    56    57    60   0.00000  1.0 1.0
   53    52    56    57   0.03000  1.0 3.0
   54    48    52    33   0.86500  1.0 1.0
   54    48    52    33  -0.17500 -1.0 2.0
   54    48    52    33   0.20800  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    56   3.69350  1.0 1.0
   54    48    52    56  -1.82950 -1.0 2.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    52   0.86500  1.0 1.0
   50    46    48    52  -0.17500 -1.0 2.0
   50    46    48    52   0.20800  1.0 3.0
   50    46    48    54   3.75450  1.0 1.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    46  -1.63150  1.0 1.0
   43    38    40    46  -0.43550 -1.0 2.0
   43    38    40    46   0.24500  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
   44    38    43    45  10.50000 -1.0 2.0
END
