* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    109    169     321
    1     0 S   NP   _N1_     1    28.54266    96.00146   -21.72681
    2     1 S   H    _HN1     2     1.02777    91.99862   -87.21991
    3     1 S   H    _H1_     3     1.02958    83.43726    21.01802
    4     1 S   H    _H2_     4     1.02836    35.00392   153.68633
    5     1 S   CT   _CA1     5     1.50088   144.95041   137.54275
    6     5 S   HC   _HA1     6     1.09589   105.21721    68.78961
    7     5 S   CO3  _C1_     7     1.53796   112.54913   -51.25710
    8     7 S   O2Z  _O11     8     1.26348   114.98604   -42.26712
    9     7 S   O2Z  _O12     9     1.26269   114.92228   137.05313
   10     5 S   CT   _CB1    10     1.53152   107.45505  -173.42890
   11    10 S   HC   HB11    11     1.09803   109.17851   -52.49982
   12    10 S   HC   HB12    12     1.09807   110.54753    64.08646
   13    10 S   CT   _CG1    13     1.52898   112.46384  -173.74756
   14    13 S   HC   HG11    14     1.09592   110.22445   -65.11250
   15    13 S   HC   HG12    15     1.09594   109.80188    54.01508
   16    13 S   C    _CD1    16     1.51700   112.78924   173.68211
   17    16 S   O    _OE1    17     1.22728   123.30037   -13.08820
   18    16 S   N    _N2_    18     1.38516   111.58042   168.26993
   19    18 S   H    _HN2    19     1.01591   119.00591     2.05109
   20    18 S   CT1  _CA2    20     1.45970   123.21049   176.22229
   21    20 S   HC   _HA2    21     1.09664   110.38413    15.04940
   22    20 S   C    _C2_    22     1.52767   104.31732  -101.95231
   23    22 S   O    _O2_    23     1.22939   122.57913   -90.47193
   24    20 S   CT   _CB2    32     1.53110   111.10778   138.57458
   25    24 S   HC   HB21    33     1.09391   109.65545    48.10135
   26    24 S   HC   HB22    34     1.09500   110.05631   167.05481
   27    22 S   N    _N3_    24     1.38586   112.73058    85.48732
   28    27 S   H    _HN3    25     1.01555   119.50463     4.40153
   29    24 S   S    _SG2    35     1.82947   110.68026   -73.58151
   30    27 S   CT   _CA3    26     1.45437   122.96754  -179.07592
   31    30 S   HC   HA31    27     1.09541   109.05369    28.79056
   32    30 S   HC   HA32    28     1.09495   107.16607   145.68564
   33    29 S   CT   _C15    36     1.90127   101.40710   157.02215
   34    33 S   Cl   Cl3_    37     1.84466   104.07897   169.47165
   35    30 S   CO3  _C3_    29     1.52925   113.30080   -94.57646
   36    35 S   O2Z  _O31    30     1.26395   115.47884   -44.17078
   37    35 S   O2Z  _O32    31     1.26374   114.95596   136.81596
   38    33 S   CM   _C14    38     1.52884   104.51600   -80.26071
   39    38 S   HC   _H9_    39     1.09043   115.56067   -73.38991
   40    33 S   CT   _C16    59     1.57541   112.77690    47.49825
   41    40 S   OM   _O36    60     1.32938   111.17898    65.92813
   42    40 S   HC   _H3_    61     1.10020   105.72530   -63.45041
   43    38 S   CM   _C13    40     1.34104   126.56113   105.51760
   44    43 S   HC   _H8_    41     1.08319   122.12688    -1.09932
   45    40 S   CO3  _C17    62     1.56538   115.28286  -175.29397
   46    45 S   O2Z  _O35    63     1.26356   117.31077   -26.84487
   47    45 S   O2Z  _O34    64     1.27018   114.48775   150.59930
   48    43 S   CO4  _C12    42     1.48585   120.01242  -178.79846
   49    48 S   O    _O33    43     1.22452   123.91952   -18.72168
   50    48 S   CM   _C10    44     1.49390   114.08232   159.81836
   51    50 S   CA   _C9_    45     1.47587   117.29583   -68.08322
   52    50 S   CM   _C11    56     1.34723   119.24054   114.49863
   53    52 S   Cl   Cl1_    57     1.73702   122.89648    -3.12431
   54    52 S   Cl   Cl2_    58     1.73907   122.23785   177.59190
   55    51 S   CA   _C4_    46     1.40137   119.66260   -75.10690
   56    55 S   HA   _H4_    47     1.08823   120.72486    -1.11470
   57    55 S   CA   _C5_    48     1.39545   120.28323   178.61931
   58    57 S   HA   _H5_    49     1.08695   119.26430  -179.91844
   59    57 S   CA   _C6_    50     1.39387   119.75893    -0.64468
   60    59 S   Cl   Cl4_    51     1.72139   119.73497  -178.43840
   61    59 S   CA   _C7_    52     1.39402   120.47339     0.88581
   62    61 S   HA   _H6_    53     1.08696   120.84715  -179.75531
   63    51 S   CA   _C8_    54     1.40140   120.86631   103.46111
   64    63 S   HA   _H7_    55     1.08774   120.70324     0.91792
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  10   4   6   4   3   6   3   2   1   1   8
   3  10  12   4   1   1   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    43  
   42    45    46    47  
   45    46    47  
   44    48    49    50    51    52  
   48    49    50  
   46    47  
   47  
    0  
   49    50    51    55    63    52    53    54  
   50    51    52  
   51    55    56    57    61    63    64    52    53    54  
   55    56    57    58    59    61    62    63    64    52    53    54  
   53    54    55    63  
   54  
    0  
   56    57    58    59    60    61    63    64  
   57    58    59    63  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64  
   61    62    63  
   62    63    64  
   63    64  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.4000   0.3000  -0.060000   2.1950   1.9500   0.001000000   0.320982824
   54   3.4000   0.3000  -0.060000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    48   320.000  1.462
   48    49   570.000  1.229
   48    50   320.000  1.462
   50    51   320.000  1.460
   50    52   549.000  1.340
   51    55   469.000  1.400
   51    63   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   300.000  1.725
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   52    53   300.000  1.725
   52    54   300.000  1.725
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   656.000  1.250
   45    47   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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    45    70.00000  109.69300
   38    33    34    75.00000  111.90500
   38    43    44    35.00000  120.00000
   38    43    48    65.00000  118.96000
   43    38    39    35.00000  120.00000
   43    48    49    80.00000  123.72100
   43    48    50    65.00000  118.65900
   48    43    44    40.00000  117.72500
   48    50    51    75.00000  114.44000
   48    50    52    65.00000  118.96000
   50    48    49    80.00000  123.72100
   50    51    55    60.00000  120.93500
   50    51    63    60.00000  120.93500
   50    52    53    75.00000  121.50000
   50    52    54    75.00000  121.50000
   51    55    56    35.00000  120.00000
   51    55    57    63.00000  120.00000
   51    63    61    63.00000  120.00000
   51    63    64    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    75.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    75.00000  120.00000
   61    63    64    35.00000  120.00000
   63    51    55    63.00000  120.00000
   63    61    62    35.00000  120.00000
   52    50    51    60.00000  123.20500
   54    52    53    78.00000  111.70000
   40    33    34    69.00000  109.80000
   40    33    38    70.00000  112.02700
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   42    40    41    45.00000  125.66300
   45    40    41    85.00000  109.63000
   45    40    42    35.00000  109.50000
   47    45    46    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    40    41   0.56750  1.0 1.0
   34    33    40    41  -0.07550 -1.0 2.0
   34    33    40    41   0.20000  1.0 3.0
   34    33    40    42   0.27000  1.0 3.0
   34    33    40    45   0.56750  1.0 1.0
   34    33    40    45  -0.07550 -1.0 2.0
   34    33    40    45   0.20000  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    48    49   1.00000 -1.0 2.0
   38    43    48    50  -1.18350  1.0 1.0
   38    43    48    50   1.45950 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    50    51   1.50000 -1.0 2.0
   43    48    50    52  -1.18350  1.0 1.0
   43    48    50    52   1.45950 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.93700 -1.0 2.0
   48    50    51    55  -0.01750  1.0 1.0
   48    50    51    55  -0.32000 -1.0 2.0
   48    50    51    55   0.00600  1.0 3.0
   48    50    51    63  -0.01750  1.0 1.0
   48    50    51    63  -0.32000 -1.0 2.0
   48    50    51    63   0.00600  1.0 3.0
   48    50    52    53   7.00000 -1.0 2.0
   48    50    52    54   7.00000 -1.0 2.0
   49    48    50    51  -0.52200  1.0 1.0
   49    48    50    51   0.82950 -1.0 2.0
   49    48    50    52   1.00000 -1.0 2.0
   50    51    55    56   3.62500 -1.0 2.0
   50    51    55    57   3.62500 -1.0 2.0
   50    51    63    61   3.62500 -1.0 2.0
   50    51    63    64   3.62500 -1.0 2.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   51    55    57    58   3.62500 -1.0 2.0
   51    55    57    59   3.62500 -1.0 2.0
   55    51    63    61   3.62500 -1.0 2.0
   55    51    63    64   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57   -59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59    61    63   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61   -63    51   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   62    61    63    51   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    51    55    56   3.62500 -1.0 2.0
   63    51   -55    57   3.62500 -1.0 2.0
   52    50    51    55   0.15800  1.0 1.0
   52    50    51    55   1.85350 -1.0 2.0
   52    50    51    55  -0.48700  1.0 3.0
   52    50    51    63   0.15800  1.0 1.0
   52    50    51    63   1.85350 -1.0 2.0
   52    50    51    63  -0.48700  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   41    40    45    46   0.30150 -1.0 2.0
   41    40    45    47   0.30150 -1.0 2.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    47   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   43    50    48    49  10.50000 -1.0 2.0
   48    51    50    52  15.00000 -1.0 2.0
   55    63    51    50   4.00000 -1.0 2.0
   57    56    55    51   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   4.00000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    64    63    51   1.10000 -1.0 2.0
   53    54    52    50  15.00000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
