* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    117    172     332
    1     0 S   NP   _N1_     1    30.17048    95.66775   -16.75703
    2     1 S   H    _HN1     2     1.02981    63.16905   147.12257
    3     1 S   H    _H1_     3     1.02774    45.15637   -21.82206
    4     1 S   H    _H2_     4     1.03134   126.32580    55.60736
    5     1 S   CT   _CA1     5     1.50068   120.72997  -113.88396
    6     5 S   HC   _HA1     6     1.09687   104.57467    -2.37009
    7     5 S   CO3  _C1_     7     1.54572   111.53088  -118.26910
    8     7 S   O2Z  _O11     8     1.26571   113.80815    55.85901
    9     7 S   O2Z  _O12     9     1.26138   116.73340  -123.92288
   10     5 S   CT   _CB1    10     1.53158   107.29276   113.93233
   11    10 S   HC   HB11    11     1.09823   109.99952   -41.59940
   12    10 S   HC   HB12    12     1.09722   109.71033    74.27482
   13    10 S   CT   _CG1    13     1.53336   112.25787  -161.39549
   14    13 S   HC   HG11    14     1.09647   112.06928   -18.17070
   15    13 S   HC   HG12    15     1.09625   110.05518   100.02119
   16    13 S   C    _CD1    16     1.51413   111.44764  -139.57427
   17    16 S   O    _OE1    17     1.22754   122.07167  -102.76565
   18    16 S   N    _N2_    18     1.38366   112.31077    76.94650
   19    18 S   H    _HN2    19     1.01954   118.49522     0.15826
   20    18 S   CT1  _CA2    20     1.46047   123.98844   179.71607
   21    20 S   HC   _HA2    21     1.09721   109.44149     0.75537
   22    20 S   C    _C2_    22     1.53456   108.88819  -115.12325
   23    22 S   O    _O2_    23     1.23091   122.16958  -148.58442
   24    20 S   CT   _CB2    32     1.53304   110.82670   122.82063
   25    24 S   HC   HB21    33     1.09474   109.26999    54.40370
   26    24 S   HC   HB22    34     1.09490   110.91864   173.34044
   27    22 S   N    _N3_    24     1.38322   113.83091    39.11082
   28    27 S   H    _HN3    25     1.01613   119.59651    -4.46980
   29    24 S   S    _SG2    35     1.82649   111.35817   -66.93125
   30    27 S   CT   _CA3    26     1.45301   122.98384   176.80794
   31    30 S   HC   HA31    27     1.09560   107.61141   -60.88311
   32    30 S   HC   HA32    28     1.09562   107.81004    55.45778
   33    29 S   CT   _C7_    36     1.81758    99.67405   165.10279
   34    33 S   F    F1__    37     1.36250   108.98110   171.05313
   35    33 S   HC   _H3_    38     1.09266   108.78737    54.98225
   36    30 S   CO3  _C3_    29     1.52909   114.28504   177.34546
   37    36 S   O2Z  _O31    30     1.26340   116.10509    -1.53187
   38    36 S   O2Z  _O32    31     1.26451   114.39201   178.48638
   39    33 S   N    _N6_    39     1.45537   113.02426   -67.96942
   40    39 S   CDX  _C5_    40     1.34526   129.13448   116.73437
   41    40 S   NI   _N4_    41     1.29823   114.81498  -179.95154
   42    40 S   CT   _C4_    63     1.49233   122.35991     0.31153
   43    42 S   HC   _H4_    64     1.09305   109.96576   -57.99425
   44    42 S   HC   _H5_    65     1.09323   110.39234  -178.41304
   45    42 S   HC   _H6_    66     1.09358   109.54330    61.43191
   46    41 S   N    _N5_    42     1.36943   105.12701    -0.22814
   47    46 S   CA   _C8_    43     1.42140   121.29058  -179.05664
   48    39 S   C    _C6_    61     1.38652   125.07149   -63.81704
   49    48 S   O    _O33    62     1.22301   126.13130     1.08805
   50    47 S   CA   _C9_    44     1.41576   118.81907   162.85520
   51    50 S   HA   _H7_    45     1.08405   117.69435    -3.30328
   52    50 S   CA   _C10    46     1.41478   124.48330   178.85090
   53    52 S   CA   _C11    47     1.40820   115.41981     1.13021
   54    53 S   Cl   Cl2_    48     1.73969   121.60783   179.87333
   55    52 S   NM   _N7_    53     1.35841   125.40934  -179.15027
   56    53 S   CA   _C12    49     1.39814   121.87062    -0.33688
   57    56 S   HA   _H8_    50     1.08891   119.38016  -179.34988
   58    55 S   SY   _S1_    54     1.58632   127.01787     5.64431
   59    58 S   OY   _O34    55     1.46138   113.99384   171.41830
   60    58 S   OY   _O35    56     1.46038   117.27186    33.86537
   61    47 S   CA   _C13    51     1.40508   124.03577   -17.11894
   62    61 S   Cl   Cl1_    52     1.73292   124.72430    -2.63054
   63    58 S   CT   _C14    57     1.78361   101.15491   -78.96473
   64    63 S   HC   _H9_    58     1.09311   107.95552  -175.83698
   65    63 S   HC   _H10    59     1.09255   109.19791   -56.98766
   66    63 S   HC   _H11    60     1.09055   110.40110    64.84622
  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   6   5   4   3
   9   4   3   2   1   1  10   9  10   5   2   1   1   9  11   3
   1   9   4  10   7   4   8   3   2   6   5   4   1   1   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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    46    47    48    49    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    50    61    48    49    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    50    51    52    56    61    62    48    49  
   50    51    52    53    56    57    61    62    55    48    49  
   49    50    61  
    0  
   51    52    53    54    56    61    62    55    58  
   52    53    61    55  
   53    54    56    57    61    55    58    59    60    63  
   54    56    57    61    62    55    58  
   56    57    61    55  
   58    59    60    63    64    65    66    56  
   57    61    62  
   61    62  
   59    60    63    64    65    66  
   60    63    64    65    66  
   63    64    65    66  
   62  
    0  
   64    65    66  
   65    66  
   66  
    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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.100000   1.3810   1.2100   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   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   40   3.7500   0.1050   0.481500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.2800   0.1700  -0.359000   1.8540   1.6400   0.005000000   0.000000000
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.207500   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.861300   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.542400   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   55   3.4200   0.1700  -0.252300   1.9310   1.7100   0.005000000   0.000000000
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.2500   1.494700   2.0020   1.7750   0.025682759  -1.666211680
   59   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   60   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   63   3.5000   0.0660  -0.716800   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   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    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   367.000  1.332
   33    35   340.000  1.090
   33    39   337.000  1.449
   39    40   400.000  1.380
   39    48   490.000  1.335
   40    41   650.000  1.285
   40    42   260.000  1.508
   41    46   305.000  1.341
   46    47   360.000  1.404
   46    48   490.000  1.335
   47    50   469.000  1.400
   47    61   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   515.000  1.335
   53    54   300.000  1.725
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   300.000  1.725
   55    58   350.000  1.613
   58    59   735.000  1.471
   58    60   735.000  1.471
   58    63   205.000  1.840
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    49   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    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    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    80.00000  108.62000
   33    39    40    70.00000  118.08000
   33    39    48    50.00000  121.90000
   35    33    34    40.00000  107.00000
   39    33    34    95.00000  109.00000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  119.04400
   39    40    42    70.00000  106.88000
   39    48    46    90.00000  111.91700
   39    48    49    80.00000  122.90000
   40    41    46   110.00000  108.05000
   40    42    43    45.00000  109.58200
   40    42    44    45.00000  109.58200
   40    42    45    45.00000  109.58200
   41    46    47    75.00000  123.91000
   41    46    48    75.00000  121.16600
   46    47    50    70.00000  119.01900
   46    47    61    70.00000  119.01900
   46    48    49    80.00000  122.90000
   47    50    51    35.00000  120.00000
   47    50    52    63.00000  120.00000
   47    61    56    63.00000  120.00000
   47    61    62    75.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    65.00000  124.38400
   52    50    51    35.00000  120.00000
   52    53    54    75.00000  120.00000
   52    53    56    63.00000  120.00000
   52    55    58    75.00000  122.36500
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   56    53    54    75.00000  120.00000
   56    61    62    75.00000  120.00000
   61    47    50    63.00000  120.00000
   61    56    57    35.00000  120.00000
   55    52    53    65.00000  124.38400
   55    58    59   105.00000  114.79700
   55    58    60   105.00000  114.79700
   55    58    63   100.00000  102.99600
   58    63    64    45.00000  108.39800
   58    63    65    45.00000  108.39800
   58    63    66    45.00000  108.39800
   60    58    59   115.00000  120.17200
   63    58    59   100.00000  108.55000
   63    58    60   100.00000  108.55000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    39    40    70.00000  120.51600
   48    46    47    65.00000  121.96500
   42    40    41    70.00000  118.34500
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
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   0.01700  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    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   0.17850 -1.0 2.0
   29    33    39    48  -0.42300  1.0 1.0
   29    33    39    48  -0.07000 -1.0 2.0
   29    33    39    48   0.04150  1.0 3.0
   33    39    40    41   1.00000 -1.0 2.0
   33    39    40    42   1.00000 -1.0 2.0
   33    39    48    46   4.56800  1.0 1.0
   33    39    48    46   0.31650 -1.0 2.0
   33    39    48    49   3.04450 -1.0 2.0
   34    33    39    40   0.17850 -1.0 2.0
   34    33    39    48  -0.42300  1.0 1.0
   34    33    39    48  -0.07000 -1.0 2.0
   34    33    39    48   0.04150  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40   -41    46   6.00000 -1.0 2.0
   39    40    42    43  -0.18050  1.0 3.0
   39    40    42    44  -0.18050  1.0 3.0
   39    40    42    45  -0.18050  1.0 3.0
   40    39   -48    46   4.59200  1.0 1.0
   40    39   -48    46   0.41200 -1.0 2.0
   40    39    48    49   2.67200 -1.0 2.0
   40    41    46    47   2.14300 -1.0 2.0
   40    41   -46    48   1.42450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46    47    50   0.96250 -1.0 2.0
   41    46    47    61   0.96250 -1.0 2.0
   41    46   -48    39   0.63000  1.0 1.0
   41    46   -48    39   1.73150 -1.0 2.0
   41    46    48    49  -0.75150  1.0 1.0
   41    46    48    49   0.83450 -1.0 2.0
   46    47    50    51   3.62500 -1.0 2.0
   46    47    50    52   3.62500 -1.0 2.0
   46    47    61    56   3.62500 -1.0 2.0
   46    47    61    62   3.62500 -1.0 2.0
   47    46    48    39   0.54900  1.0 1.0
   47    46    48    39   1.90750 -1.0 2.0
   47    46    48    49   0.04000 -1.0 2.0
   47    50    52    53   3.62500 -1.0 2.0
   47    50    52    55   3.62500 -1.0 2.0
   50    47    61    56   3.62500 -1.0 2.0
   50    47    61    62   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    56   3.62500 -1.0 2.0
   50    52    55    58   1.50000 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    53    56    61   3.62500 -1.0 2.0
   52    55    58    59  -0.23550  1.0 1.0
   52    55    58    59   0.77000 -1.0 2.0
   52    55    58    59   0.47650  1.0 3.0
   52    55    58    60  -0.23550  1.0 1.0
   52    55    58    60   0.77000 -1.0 2.0
   52    55    58    60   0.47650  1.0 3.0
   52    55    58    63   0.34100  1.0 1.0
   52    55    58    63  -0.43950 -1.0 2.0
   52    55    58    63   0.17850  1.0 3.0
   53    52    55    58   1.50000 -1.0 2.0
   53    56   -61    47   3.62500 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    61   3.62500 -1.0 2.0
   57    56    61    47   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   61    47    50    51   3.62500 -1.0 2.0
   61    47   -50    52   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   55    58    63    64  -0.06500  1.0 3.0
   55    58    63    65  -0.06500  1.0 3.0
   55    58    63    66  -0.06500  1.0 3.0
   59    58    63    64   0.26000  1.0 3.0
   59    58    63    65   0.26000  1.0 3.0
   59    58    63    66   0.26000  1.0 3.0
   60    58    63    64   0.26000  1.0 3.0
   60    58    63    65   0.26000  1.0 3.0
   60    58    63    66   0.26000  1.0 3.0
   48    39   -40    41  -0.56400  1.0 1.0
   48    39   -40    41   0.77500 -1.0 2.0
   48    39   -40    41   0.18700  1.0 3.0
   48    39    40    42  -0.45200  1.0 1.0
   48    39    40    42   0.85900 -1.0 2.0
   48    39    40    42   0.16650  1.0 3.0
   48    46    47    50   1.00100  1.0 1.0
   48    46    47    50   0.85050 -1.0 2.0
   48    46    47    61   1.00100  1.0 1.0
   48    46    47    61   0.85050 -1.0 2.0
   42    40    41    46   6.00000 -1.0 2.0
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
   48    40    39    33   1.00000 -1.0 2.0
   39    42    40    41  10.50000 -1.0 2.0
   47    48    46    41   1.00000 -1.0 2.0
   50    61    47    46   4.00000 -1.0 2.0
   52    51    50    47   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   56    54    53    52   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   56    62    61    47   4.00000 -1.0 2.0
   39    46    48    49  10.50000 -1.0 2.0
END
