* LIGAND DATABASE FILE (OPLS2005)
*
001      64    63    113    155     325
    1     0 S   NP   _N1_     1    31.07037    87.42420   -22.95136
    2     1 S   H    _HN1     2     1.02878    37.94784    42.91405
    3     1 S   H    _H1_     3     1.02786    85.79423   -83.16547
    4     1 S   H    _H2_     4     1.03592   143.54562    29.88927
    5     1 S   CT   _CA1     5     1.49949    92.59504   164.05412
    6     5 S   HC   _HA1     6     1.09676   104.83648    27.44450
    7     5 S   CO3  _C1_     7     1.54426   111.16062   -89.32904
    8     7 S   O2Z  _O11     8     1.26162   116.46315  -110.48355
    9     7 S   O2Z  _O12     9     1.26526   113.90972    68.74330
   10     5 S   CT   _CB1    10     1.53031   107.58203   143.79345
   11    10 S   HC   HB11    11     1.09829   110.22017   -43.95364
   12    10 S   HC   HB12    12     1.09796   110.11149    72.42638
   13    10 S   CT   _CG1    13     1.53369   112.14573  -164.45857
   14    13 S   HC   HG11    14     1.09451   111.33576   -41.02398
   15    13 S   HC   HG12    15     1.09584   110.43018    77.59727
   16    13 S   C    _CD1    16     1.51399   109.63063  -163.23278
   17    16 S   O    _OE1    17     1.22921   121.72389   -61.27528
   18    16 S   N    _N2_    18     1.38424   113.23406   116.48163
   19    18 S   H    _HN2    19     1.01549   119.84747     7.40910
   20    18 S   CT1  _CA2    20     1.45607   122.31717  -172.78901
   21    20 S   HC   _HA2    21     1.09699   108.30531    27.38358
   22    20 S   C    _C2_    22     1.52924   107.82011   -89.54586
   23    22 S   O    _O2_    23     1.22938   122.92584   -26.62838
   24    20 S   CT   _CB2    32     1.53505   113.03286   149.56572
   25    24 S   HC   HB21    33     1.09670   109.75879    74.09673
   26    24 S   HC   HB22    34     1.09600   109.93661  -169.56104
   27    22 S   N    _N3_    24     1.38625   112.36118   156.22024
   28    27 S   H    _HN3    25     1.01483   119.75969     0.83626
   29    24 S   S    _SG2    35     1.83182   116.71457   -46.33947
   30    27 S   CT   _CA3    26     1.45454   122.83329   175.23634
   31    30 S   HC   HA31    27     1.09537   108.96234    30.11157
   32    30 S   HC   HA32    28     1.09479   107.16574   147.26393
   33    29 S   CT   _C9_    36     1.82777   100.93886   -46.89788
   34    33 S   HC   _H13    37     1.09542   108.98419   -56.12416
   35    33 S   HC   _H14    38     1.09256   106.80615    60.64649
   36    30 S   CO3  _C3_    29     1.53064   113.60659   -92.88059
   37    36 S   O2Z  _O31    30     1.26375   115.82722   -30.19987
   38    36 S   O2Z  _O32    31     1.26413   114.67145   150.66781
   39    33 S   CT   _C5_    39     1.54885   114.21807   179.96044
   40    39 S   CT   _C4_    40     1.53180   111.73715    68.31796
   41    40 S   HC   _H3_    41     1.09519   111.50005   -60.49933
   42    40 S   HC   _H4_    42     1.09509   111.32395  -177.84932
   43    40 S   HC   _H5_    43     1.09475   111.51143    60.81036
   44    39 S   CT   _C6_    44     1.54879   107.95809  -169.16264
   45    44 S   HC   _H6_    45     1.09751   109.70501   -65.71844
   46    44 S   HC   _H7_    46     1.09876   108.40432    50.38042
   47    39 S   OH   _O40    63     1.42960   110.03233   -50.95770
   48    47 S   HO   _H15    64     0.97400   109.00901   -48.32866
   49    44 S   CT   _C7_    47     1.53086   115.16186   169.97407
   50    49 S   HC   _H8_    48     1.09551   111.15368    61.80661
   51    49 S   HC   _H9_    49     1.09633   110.47441   -55.70280
   52    49 S   CT   _C8_    50     1.52485   110.93039  -176.88989
   53    52 S   HC   _H10    51     1.09480   110.55089   -70.02965
   54    52 S   HC   _H11    52     1.09461   110.62408    50.19227
   55    52 S   OS   _O33    53     1.42134   108.69038   170.46319
   56    55 S   P2   _P1_    54     1.63380   118.72078  -165.58069
   57    56 S   O2Z  _O35    55     1.51211   108.30512   179.96574
   58    56 S   O2Z  _O34    56     1.51399   108.84216   -47.52834
   59    56 S   OS   _O36    57     1.62793   100.21343    65.87139
   60    59 S   P2   _P2_    58     1.62306   131.89426    58.68522
   61    60 S   O2Z  _O39    59     1.51203   109.99776   -69.35035
   62    60 S   O2Z  _O37    60     1.51000   110.05684    66.75010
   63    60 S   OS   _O38    61     1.63271    98.35425   178.60394
   64    63 S   HO   _H12    62     0.97932   115.64398   -78.16401
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   4   2   1   1  13   9   4   3   2  11   6   5   2   1
   7   5   4   7   3   2   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    44    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    46    49    47    48  
   35    39    40    44    47  
   39    40    44    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    52    47    48  
   41    42    43    44    45    46    49    47    48  
   42    43    44    47  
   43    44    47  
   44    47  
   45    46    49    50    51    52    53    54    55    47    48  
   46    49    50    51    52    47  
   49    50    51    52    47  
   48    49  
    0  
   50    51    52    53    54    55    56  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56    57    58    59    60  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   60   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   64   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    44   268.000  1.529
   39    47   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   320.000  1.410
   55    56   230.000  1.697
   56    57   525.000  1.480
   56    58   525.000  1.480
   56    59   230.000  1.697
   59    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    63   230.000  1.697
   63    64   553.000  0.945
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    44    58.35000  112.70000
   33    39    47    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    43    37.50000  110.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    49    58.35000  112.70000
   39    47    48    55.00000  108.50000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    39    40    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56   100.00000  120.50000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57   100.00000  108.23000
   55    56    58   100.00000  108.23000
   55    56    59    45.00000  102.60000
   56    59    60    50.00000  132.62000
   58    56    57   140.00000  119.90000
   59    56    57   100.00000  108.23000
   59    56    58   100.00000  108.23000
   59    60    61   100.00000  108.23000
   59    60    62   100.00000  108.23000
   59    60    63    45.00000  102.60000
   60    63    64    45.00000  108.50000
   62    60    61   140.00000  119.90000
   63    60    61   100.00000  108.23000
   63    60    62   100.00000  108.23000
   47    39    40    50.00000  109.50000
   47    39    44    50.00000  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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    47   0.56750  1.0 1.0
   29    33    39    47  -0.07550 -1.0 2.0
   29    33    39    47   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    43   0.15000  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    49   0.56750  1.0 1.0
   33    39    44    49  -0.07550 -1.0 2.0
   33    39    44    49   0.20000  1.0 3.0
   33    39    47    48  -0.11600  1.0 1.0
   33    39    47    48  -0.09450 -1.0 2.0
   33    39    47    48   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   34    33    39    47   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    44   0.15000  1.0 3.0
   35    33    39    47   0.23400  1.0 3.0
   39    44    49    50   0.15000  1.0 3.0
   39    44    49    51   0.15000  1.0 3.0
   39    44    49    52   0.56750  1.0 1.0
   39    44    49    52  -0.07550 -1.0 2.0
   39    44    49    52   0.20000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    49   0.56750  1.0 1.0
   40    39    44    49  -0.07550 -1.0 2.0
   40    39    44    49   0.20000  1.0 3.0
   40    39    47    48  -0.11600  1.0 1.0
   40    39    47    48  -0.09450 -1.0 2.0
   40    39    47    48   0.21250  1.0 3.0
   44    39    40    41   0.15000  1.0 3.0
   44    39    40    42   0.15000  1.0 3.0
   44    39    40    43   0.15000  1.0 3.0
   44    39    47    48  -0.11600  1.0 1.0
   44    39    47    48  -0.09450 -1.0 2.0
   44    39    47    48   0.21250  1.0 3.0
   44    49    52    53   0.15000  1.0 3.0
   44    49    52    54   0.15000  1.0 3.0
   44    49    52    55   0.62750  1.0 1.0
   44    49    52    55  -0.30950 -1.0 2.0
   44    49    52    55   0.27300  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    52   0.15000  1.0 3.0
   49    52    55    56  -2.65550  1.0 1.0
   49    52    55    56  -0.22350 -1.0 2.0
   49    52    55    56   0.24150  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.23400  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.23400  1.0 3.0
   52    55    56    57   0.00000  1.0 1.0
   52    55    56    58   0.00000  1.0 1.0
   52    55    56    59   0.05050  1.0 1.0
   52    55    56    59  -1.30700 -1.0 2.0
   52    55    56    59   0.91550  1.0 3.0
   53    52    55    56   0.03000  1.0 3.0
   54    52    55    56   0.03000  1.0 3.0
   55    56    59    60   0.15000  1.0 3.0
   56    59    60    61   0.50000  1.0 3.0
   56    59    60    62   0.50000  1.0 3.0
   56    59    60    63   0.15000  1.0 3.0
   57    56    59    60   0.50000  1.0 3.0
   58    56    59    60   0.50000  1.0 3.0
   59    60    63    64   0.00000  1.0 1.0
   61    60    63    64   0.00000  1.0 1.0
   62    60    63    64   0.00000  1.0 1.0
   47    39    40    41   0.23400  1.0 3.0
   47    39    40    42   0.23400  1.0 3.0
   47    39    40    43   0.23400  1.0 3.0
   47    39    44    45   0.23400  1.0 3.0
   47    39    44    46   0.23400  1.0 3.0
   47    39    44    49   0.86500  1.0 1.0
   47    39    44    49  -0.17500 -1.0 2.0
   47    39    44    49   0.20800  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
   37    30    36    38  10.50000 -1.0 2.0
END
