* LIGAND DATABASE FILE (OPLS2005)
*
001      62    61    107    161     318
    1     0 S   NP   _N1_     1    28.51697    94.97687   -23.29725
    2     1 S   H    _HN1     2     1.02780   104.06045   -82.20721
    3     1 S   H    _H1_     3     1.02959    80.83951    24.52668
    4     1 S   H    _H2_     4     1.02836    29.74941   176.25346
    5     1 S   CT   _CA1     5     1.50137   135.07706   134.27802
    6     5 S   HC   _HA1     6     1.09576   105.20783    79.96826
    7     5 S   CO3  _C1_     7     1.53759   112.36317   -40.21773
    8     7 S   O2Z  _O11     8     1.26363   114.99271   -44.03714
    9     7 S   O2Z  _O12     9     1.26229   114.90796   135.01831
   10     5 S   CT   _CB1    10     1.53077   107.41431  -162.14255
   11    10 S   HC   HB11    11     1.09831   109.27007   -50.61471
   12    10 S   HC   HB12    12     1.09817   110.43933    65.90411
   13    10 S   CT   _CG1    13     1.53042   112.73914  -171.69012
   14    13 S   HC   HG11    14     1.09590   110.53226   -65.32347
   15    13 S   HC   HG12    15     1.09658   109.91363    53.94098
   16    13 S   C    _CD1    16     1.51834   112.19501   174.26410
   17    16 S   O    _OE1    17     1.22738   123.21370     2.16781
   18    16 S   N    _N2_    18     1.38642   111.77138  -177.67611
   19    18 S   H    _HN2    19     1.01599   119.06730     0.98854
   20    18 S   CT1  _CA2    20     1.46156   123.28645   178.71078
   21    20 S   HC   _HA2    21     1.09743   109.36774    -1.08065
   22    20 S   C    _C2_    22     1.53540   108.91403  -116.65082
   23    22 S   O    _O2_    23     1.23071   122.05069  -147.61735
   24    20 S   CT   _CB2    32     1.53434   111.63759   120.86489
   25    24 S   HC   HB21    33     1.09469   109.69992    56.47723
   26    24 S   HC   HB22    34     1.09395   109.48468   175.20327
   27    22 S   N    _N3_    24     1.38438   113.68692    39.97991
   28    27 S   H    _HN3    25     1.01484   119.02764    -0.70053
   29    24 S   S    _SG2    35     1.83075   111.45406   -65.29395
   30    27 S   CT   _CA3    26     1.45443   123.38304   174.91030
   31    30 S   HC   HA31    27     1.09526   109.22500    25.73938
   32    30 S   HC   HA32    28     1.09497   107.16088   142.73927
   33    29 S   CT   _C12    36     1.88385   101.44750   173.03080
   34    30 S   CO3  _C3_    29     1.52910   112.97189   -97.70608
   35    34 S   O2Z  _O31    30     1.26411   115.32096   -47.14782
   36    34 S   O2Z  _O32    31     1.26342   115.03558   133.70321
   37    33 S   CT   _C6_    37     1.56260   110.11871    58.19337
   38    37 S   HC   _H7_    38     1.09733   108.93111   176.67893
   39    37 S   HC   _H8_    39     1.09850   107.85476   -70.13063
   40    33 S   CM   _C7_    49     1.53420   105.62195   -67.09147
   41    40 S   HC   _H9_    50     1.09227   113.31307   -50.38129
   42    33 S   CT   _C11    57     1.54963   104.66503  -179.91153
   43    42 S   HC   _H11    58     1.09326   112.15355   -63.77049
   44    42 S   HC   _H12    59     1.09968   110.84139    54.76057
   45    37 S   CT   _C4_    40     1.54351   118.62762    52.45525
   46    45 S   HC   _H6_    41     1.09322   111.55028   -49.48112
   47    40 S   CM   _C9_    51     1.34362   130.29923   130.54625
   48    42 S   CO4  _C8_    60     1.51295   113.47073   174.32342
   49    48 S   O    _O4_    61     1.22804   123.08882  -124.57644
   50    48 S   HC   _H10    62     1.10101   116.57959    58.00384
   51    45 S   NP   _N4_    42     1.51104   106.42692  -161.98443
   52    51 S   H    _H3_    43     1.02822   112.02657    58.07431
   53    51 S   H    _H4_    44     1.02930   110.67756   -62.84188
   54    51 S   H    _H5_    45     1.02867   110.67744   178.22723
   55    45 S   CO3  _C5_    46     1.53933   114.69502    76.11238
   56    55 S   O2Z  _O1_    47     1.26252   114.79492  -128.60948
   57    55 S   O2Z  _O33    48     1.26268   115.30124    53.32118
   58    47 S   CO3  _C10    52     1.55452   121.58636  -179.76427
   59    58 S   O2Z  _O3_    53     1.26786   113.79390  -176.33328
   60    58 S   O2Z  _O5_    54     1.26221   116.91247     4.10351
   61    47 S   OH   _O6_    55     1.37928   123.04779     0.83626
   62    61 S   HO   _H13    56     0.97626   106.16020   178.36434
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  18   7   6  12   4   7   4   3   8   7   5   2
   1   1   6   3   2   1   2   1   1   4   2   1   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    40    41    47    42    43    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    51    55    40    41    47    58    61    42    43    44    48    49    50  
   35    36  
   36  
    0  
   38    39    45    46    51    52    53    54    55    56    57    40    41    47    42    43    44    48  
   39    45    46    51    55    40    42  
   45    46    51    55    40    42  
   41    47    58    59    60    61    62    42    43    44    48    45  
   47    58    61    42  
   43    44    48    49    50    45    47  
   44    48    49    50  
   48    49    50  
   46    51    52    53    54    55    56    57  
   51    52    53    54    55    56    57  
   58    59    60    61    62  
   49    50  
   50  
    0  
   52    53    54    55    56    57  
   53    54    55  
   54    55  
   55  
   56    57  
   57  
    0  
   59    60    61    62  
   60    61  
   61  
   62  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   52   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   53   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   54   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   56   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   57   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   58   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.355200   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    40   317.000  1.510
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    51   367.000  1.471
   45    55   317.000  1.522
   51    52   434.000  1.010
   51    53   434.000  1.010
   51    54   434.000  1.010
   55    56   656.000  1.250
   55    57   656.000  1.250
   40    41   340.000  1.080
   40    47   549.000  1.340
   47    58   230.000  1.545
   47    61   510.000  1.338
   58    59   656.000  1.250
   58    60   656.000  1.250
   61    62   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   570.000  1.229
   48    50   340.000  1.090
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    40    75.00000  112.20000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    47    70.00000  124.00000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    48    63.00000  111.10000
   37    45    46    37.50000  110.70000
   37    45    51    80.00000  111.20000
   37    45    55    70.00000  109.69300
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    35.00000  109.50000
   45    55    56    70.00000  117.00000
   45    55    57    70.00000  117.00000
   51    45    46    35.00000  109.50000
   53    51    52    35.00000  109.50000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   55    45    46    35.00000  109.50000
   55    45    51    80.00000  109.26000
   57    55    56    80.00000  126.00000
   40    33    37    70.00000  112.02700
   40    47    58    55.00000  124.75400
   40    47    61    80.00000  121.38400
   47    40    41    35.00000  120.00000
   47    58    59    85.00000  113.83300
   47    58    60    85.00000  113.83300
   47    61    62    70.00000  107.45700
   60    58    59    80.00000  126.00000
   61    47    58    80.00000  119.00000
   42    33    37    58.35000  112.70000
   42    33    40    70.00000  112.02700
   42    48    49    80.00000  120.40000
   42    48    50    35.00000  115.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   50    48    49    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    47   0.42700  1.0 1.0
   29    33    40    47  -0.70350 -1.0 2.0
   29    33    40    47  -0.43150  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    51   1.36600  1.0 1.0
   33    37    45    51  -0.11450 -1.0 2.0
   33    37    45    51   0.24250  1.0 3.0
   33    37    45    55  -1.63150  1.0 1.0
   33    37    45    55  -0.43550 -1.0 2.0
   33    37    45    55   0.24500  1.0 3.0
   33    40    47    58   7.00000 -1.0 2.0
   33    40    47    61   7.00000 -1.0 2.0
   33    42    48    49   0.30150 -1.0 2.0
   33    42    48    50   0.74550  1.0 1.0
   33    42    48    50  -0.00500 -1.0 2.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    47   0.09850  1.0 1.0
   37    33    40    47   0.15250 -1.0 2.0
   37    33    40    47  -0.50650  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    48  -0.95700  1.0 1.0
   37    33    42    48  -0.18200 -1.0 2.0
   37    33    42    48   0.29450  1.0 3.0
   37    45    51    52   0.17350  1.0 3.0
   37    45    51    53   0.17350  1.0 3.0
   37    45    51    54   0.17350  1.0 3.0
   37    45    55    56   0.41150 -1.0 2.0
   37    45    55    57   0.41150 -1.0 2.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    51   0.19200  1.0 3.0
   38    37    45    55  -0.11250  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    51   0.19200  1.0 3.0
   39    37    45    55  -0.11250  1.0 3.0
   46    45    51    52   0.13050  1.0 3.0
   46    45    51    53   0.13050  1.0 3.0
   46    45    51    54   0.13050  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    57   0.00000  1.0 1.0
   51    45    55    56   0.30150 -1.0 2.0
   51    45    55    57   0.30150 -1.0 2.0
   55    45    51    52   0.17350  1.0 3.0
   55    45    51    53   0.17350  1.0 3.0
   55    45    51    54   0.17350  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.34400  1.0 1.0
   40    33    37    45   0.09450 -1.0 2.0
   40    33    37    45   0.11100  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    48  -0.98800  1.0 1.0
   40    33    42    48   0.48800 -1.0 2.0
   40    33    42    48   0.76800  1.0 3.0
   40    47    58    59  -0.04000 -1.0 2.0
   40    47    58    59  -0.29050  1.0 3.0
   40    47    58    60  -0.04000 -1.0 2.0
   40    47    58    60  -0.29050  1.0 3.0
   40    47    61    62  -0.66100  1.0 1.0
   40    47    61    62   1.20850 -1.0 2.0
   40    47    61    62  -0.36000  1.0 3.0
   41    40    47    58   7.00000 -1.0 2.0
   41    40    47    61   7.00000 -1.0 2.0
   58    47    61    62   2.00000 -1.0 2.0
   61    47    58    59   1.68800 -1.0 2.0
   61    47    58    60   1.68800 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    41   0.00000  1.0 1.0
   42    33    40    47   0.09850  1.0 1.0
   42    33    40    47   0.15250 -1.0 2.0
   42    33    40    47  -0.50650  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    50   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   56    45    55    57  10.50000 -1.0 2.0
   33    41    40    47  15.00000 -1.0 2.0
   58    61    47    40  15.00000 -1.0 2.0
   59    47    58    60  10.50000 -1.0 2.0
   42    50    48    49  10.50000 -1.0 2.0
END
