* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    139    225     406
    1     0 S   NP   _N1_     1    28.85246    95.96663   -23.60169
    2     1 S   H    _HN1     2     1.02788   107.87450  -103.01090
    3     1 S   H    _H1_     3     1.02947    75.11749     1.87826
    4     1 S   H    _H2_     4     1.02825    34.07193   161.27258
    5     1 S   CT   _CA1     5     1.50122   134.58575   106.02517
    6     5 S   HC   _HA1     6     1.09573   105.17997    88.75796
    7     5 S   CO3  _C1_     7     1.53784   112.42033   -31.46481
    8     7 S   O2Z  _O11     8     1.26379   115.00047   -43.17718
    9     7 S   O2Z  _O12     9     1.26233   114.94468   135.84258
   10     5 S   CT   _CB1    10     1.53064   107.40002  -153.27147
   11    10 S   HC   HB11    11     1.09837   109.37441   -49.41622
   12    10 S   HC   HB12    12     1.09811   110.46373    67.19393
   13    10 S   CT   _CG1    13     1.52990   112.60602  -170.35896
   14    13 S   HC   HG11    14     1.09582   110.68557   -66.10973
   15    13 S   HC   HG12    15     1.09669   109.75756    53.13139
   16    13 S   C    _CD1    16     1.51799   112.10792   173.60217
   17    16 S   O    _OE1    17     1.22741   123.28324     9.24199
   18    16 S   N    _N2_    18     1.38609   111.74234  -170.91892
   19    18 S   H    _HN2    19     1.01612   118.90671     0.99485
   20    18 S   CT1  _CA2    20     1.46205   123.45996   177.86430
   21    20 S   HC   _HA2    21     1.09728   109.37822     6.11289
   22    20 S   C    _C2_    22     1.53540   108.76264  -109.60091
   23    22 S   O    _O2_    23     1.23074   122.21672  -147.05154
   24    20 S   CT   _CB2    32     1.53216   111.36447   128.07718
   25    24 S   HC   HB21    33     1.09609   109.89146    57.68679
   26    24 S   HC   HB22    34     1.09552   110.55560   176.13659
   27    22 S   N    _N3_    24     1.38309   113.79505    40.35959
   28    27 S   H    _HN3    25     1.01568   119.63998    -3.21619
   29    24 S   S    _SG2    35     1.82917   111.43095   -63.90637
   30    27 S   CT   _CA3    26     1.45289   123.20679   177.17250
   31    30 S   HC   HA31    27     1.09549   107.51101   -64.52228
   32    30 S   HC   HA32    28     1.09557   107.98043    51.91098
   33    29 S   CA   _C16    36     1.79515    98.84715   170.26403
   34    30 S   CO3  _C3_    29     1.52964   114.09480   173.91115
   35    34 S   O2Z  _O31    30     1.26374   116.08432    -0.58684
   36    34 S   O2Z  _O32    31     1.26429   114.41062   179.47140
   37    33 S   CA   _C10    37     1.39981   120.42038   -83.19340
   38    37 S   CA   _C13    38     1.39352   123.18249  -179.64447
   39    38 S   CA   _C19    39     1.39964   119.53380    -0.51510
   40    39 S   Br   BR34    40     1.90988   119.72280   179.91607
   41    38 S   CT   _C23    45     1.51309   109.67265   179.75055
   42    39 S   CA   _C21    41     1.41366   119.19030     0.79081
   43    42 S   Br   BR36    42     1.92275   119.72721   179.64946
   44    41 S   CA   _C11    46     1.53968   112.50121   117.16023
   45    41 S   CA   _C12    61     1.53741   116.60604  -105.03026
   46    41 S   OS   _O28    76     1.46530   100.85186     4.33693
   47    33 S   CA   _C20    43     1.41295   122.27472    97.47349
   48    47 S   Br   BR35    44     1.92487   119.38627    -0.09487
   49    44 S   CA   _C4_    47     1.40980   120.16643   -66.35755
   50    49 S   HA   _H37    48     1.08766   120.63374    -0.92132
   51    45 S   CA   _C5_    62     1.41048   119.47366   170.34551
   52    51 S   HA   _H38    63     1.08851   120.23834     0.96591
   53    37 S   CO4  _C22    77     1.46721   128.16644     1.97685
   54    53 S   O    _O23    78     1.21425   128.58373    -1.82992
   55    49 S   CA   _C6_    49     1.39754   121.49915   178.96827
   56    55 S   HA   _H39    50     1.08654   119.12661   179.82086
   57    51 S   CA   _C7_    64     1.39759   121.56359  -179.04879
   58    57 S   HA   _H40    65     1.08701   119.39928  -179.41717
   59    55 S   CA   _C14    51     1.39169   120.00087    -0.33572
   60    57 S   CA   _C15    66     1.39186   120.30824     0.79549
   61    59 S   CA   _C17    52     1.39406   119.57219    -0.13562
   62    59 S   OH   _O29    59     1.36546   119.66718  -179.92598
   63    62 S   HO   _H43    60     0.97165   109.14061    -0.25488
   64    60 S   CA   _C18    67     1.39239   119.22032     0.38664
   65    60 S   OH   _O30    74     1.36433   116.12196   179.95154
   66    65 S   HO   _H44    75     0.97490   108.70814   179.57296
   67    44 S   CA   _C8_    53     1.40765   122.23311   111.78462
   68    67 S   HA   _H41    54     1.08613   119.68122     0.38104
   69    61 S   SY   _S32    55     1.80238   119.93499  -179.51382
   70    69 S   OY   _O21    56     1.46052   103.99832  -179.92087
   71    69 S   OY   _O24    57     1.46023   102.30249   -60.27221
   72    69 S   OY   _O25    58     1.46020   102.28473    60.39790
   73    45 S   CA   _C9_    68     1.40423   123.24563    -6.70183
   74    73 S   HA   _H42    69     1.08576   120.87360    -0.41871
   75    64 S   SY   _S33    70     1.80210   123.34552   179.16210
   76    75 S   OY   _O22    71     1.46002   101.91374  -118.06439
   77    75 S   OY   _O26    72     1.45978   104.19579     1.89072
   78    75 S   OY   _O27    73     1.46001   102.04616   121.82176
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  12  15  10   4  18   3   2  14  13   6   2   1
   8   4   8   4   1   1   7   3   7   3   9   9   8   3   1   8
   3   1   5   1   3   2   1   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    48    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    48    41    46    53    54  
   35    36  
   36  
    0  
   38    39    40    42    47    48    41    44    45    46    53    54  
   39    40    42    43    47    41    44    49    67    45    51    73    46    53    54  
   40    42    43    47    48    41    44    45    46    53  
   42    43    47    41  
   44    49    50    55    61    67    68    45    51    52    57    64    73    74    46    53    54    42  
   43    47    48  
   47    48  
   49    50    55    56    59    61    67    68    69    45    51    73    46    53  
   51    52    57    58    60    64    73    74    75    46    53    49    67  
   53    54    49    51    67    73  
   48    53  
    0  
   50    55    56    59    61    67    68    62  
   55    56    59    67  
   52    57    58    60    64    73    74    65  
   57    58    60    73  
   54  
    0  
   56    59    61    67    69    62    63  
   59    61    62  
   58    60    64    73    75    65    66  
   60    64    65  
   61    67    68    69    70    71    72    62    63  
   64    73    74    75    76    77    78    65    66  
   67    68    69    70    71    72    62    63  
   63    67    69  
    0  
   73    74    75    76    77    78    65    66  
   66    73    75  
    0  
   68    69    70    71    72  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75  
   76    77    78  
   77    78  
   78  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   41   3.5000   0.0660   0.375400   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   44   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   70   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   71   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   72   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   76   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   77   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   250.000  1.760
   33    37   469.000  1.400
   33    47   469.000  1.400
   37    38   469.000  1.400
   37    53   310.000  1.470
   38    39   469.000  1.400
   38    41   317.000  1.510
   39    40   300.000  1.903
   39    42   469.000  1.400
   42    43   300.000  1.903
   42    47   469.000  1.400
   47    48   300.000  1.903
   41    44   317.000  1.510
   41    45   317.000  1.510
   41    46   320.000  1.410
   44    49   469.000  1.400
   44    67   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    67   469.000  1.400
   61    69   225.000  1.779
   67    68   367.000  1.080
   69    70   735.000  1.471
   69    71   735.000  1.471
   69    72   735.000  1.471
   62    63   553.000  0.945
   45    51   469.000  1.400
   45    73   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    64   469.000  1.400
   60    65   450.000  1.364
   64    73   469.000  1.400
   64    75   225.000  1.779
   73    74   367.000  1.080
   75    76   735.000  1.471
   75    77   735.000  1.471
   75    78   735.000  1.471
   65    66   553.000  0.945
   46    53   214.000  1.327
   53    54   570.000  1.229
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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    47    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    53    60.00000  119.52600
   33    47    42    63.00000  120.00000
   33    47    48    75.00000  120.00000
   37    38    39    63.00000  120.00000
   37    38    41    70.00000  120.00000
   37    53    46    81.00000  111.40000
   37    53    54    75.00000  123.78400
   38    39    40    75.00000  120.00000
   38    39    42    63.00000  120.00000
   38    41    44    70.00000  112.04700
   38    41    45    70.00000  112.04700
   38    41    46    85.00000  111.85700
   39    42    43    75.00000  120.00000
   39    42    47    63.00000  120.00000
   42    39    40    75.00000  120.00000
   42    47    48    75.00000  120.00000
   47    33    37    63.00000  120.00000
   47    42    43    75.00000  120.00000
   41    38    39    70.00000  120.00000
   41    44    49    70.00000  120.00000
   41    44    67    70.00000  120.00000
   41    45    51    70.00000  120.00000
   41    45    73    70.00000  120.00000
   41    46    53    83.00000  116.90000
   44    49    50    35.00000  120.00000
   44    49    55    63.00000  120.00000
   44    67    61    63.00000  120.00000
   44    67    68    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    59    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    59    61    63.00000  120.00000
   55    59    62    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    69    65.00000  117.06700
   59    62    63    35.00000  113.00000
   61    67    68    35.00000  120.00000
   61    69    70   100.00000  107.67100
   61    69    71   100.00000  107.67100
   61    69    72   100.00000  107.67100
   67    44    49    63.00000  120.00000
   69    61    67    65.00000  117.06700
   71    69    70   115.00000  120.17200
   72    69    70   115.00000  120.17200
   72    69    71   115.00000  120.17200
   62    59    61    70.00000  120.00000
   45    41    44    70.00000  112.04700
   45    51    52    35.00000  120.00000
   45    51    57    63.00000  120.00000
   45    73    64    63.00000  120.00000
   45    73    74    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    60    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    60    64    63.00000  120.00000
   57    60    65    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    64    73    63.00000  120.00000
   60    64    75    65.00000  117.06700
   60    65    66    35.00000  113.00000
   64    73    74    35.00000  120.00000
   64    75    76   100.00000  107.67100
   64    75    77   100.00000  107.67100
   64    75    78   100.00000  107.67100
   73    45    51    63.00000  120.00000
   75    64    73    65.00000  117.06700
   77    75    76   115.00000  120.17200
   78    75    76   115.00000  120.17200
   78    75    77   115.00000  120.17200
   65    60    64    70.00000  120.00000
   46    41    44    85.00000  111.85700
   46    41    45    85.00000  111.85700
   46    53    54    83.00000  123.40000
   53    37    38    60.00000  119.52600
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    47   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    53   3.62500 -1.0 2.0
   29    33    47    42   3.62500 -1.0 2.0
   29    33    47    48   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    41   3.62500 -1.0 2.0
   33    37    53    46   0.98750 -1.0 2.0
   33    37    53    54   1.05000 -1.0 2.0
   37    33    47    42   3.62500 -1.0 2.0
   37    33    47    48   3.62500 -1.0 2.0
   37    38    39    40   3.62500 -1.0 2.0
   37    38   -39    42   3.62500 -1.0 2.0
   37    38    41    44   0.04300 -1.0 2.0
   37    38    41    45   0.04300 -1.0 2.0
   37    38   -41    46   0.64500  1.0 1.0
   37    38   -41    46   0.14800 -1.0 2.0
   37    38   -41    46   0.20650  1.0 3.0
   38    37   -53    46   0.98750 -1.0 2.0
   38    37    53    54   1.05000 -1.0 2.0
   38    39    42    43   3.62500 -1.0 2.0
   38    39    42    47   3.62500 -1.0 2.0
   38    41    44    49   0.04300 -1.0 2.0
   38    41    44    67   0.04300 -1.0 2.0
   38    41    45    51   0.04300 -1.0 2.0
   38    41    45    73   0.04300 -1.0 2.0
   38    41   -46    53  -0.43900 -1.0 2.0
   38    41   -46    53   0.14100  1.0 3.0
   39    38    41    44   0.04300 -1.0 2.0
   39    38    41    45   0.04300 -1.0 2.0
   39    38    41    46   0.64500  1.0 1.0
   39    38    41    46   0.14800 -1.0 2.0
   39    38    41    46   0.20650  1.0 3.0
   39    42   -47    33   3.62500 -1.0 2.0
   39    42    47    48   3.62500 -1.0 2.0
   40    39    42    43   3.62500 -1.0 2.0
   40    39    42    47   3.62500 -1.0 2.0
   43    42    47    33   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   47    33   -37    38   3.62500 -1.0 2.0
   47    33    37    53   3.62500 -1.0 2.0
   41    38    39    40   3.62500 -1.0 2.0
   41    38    39    42   3.62500 -1.0 2.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    55   3.62500 -1.0 2.0
   41    44    67    61   3.62500 -1.0 2.0
   41    44    67    68   3.62500 -1.0 2.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    57   3.62500 -1.0 2.0
   41    45    73    64   3.62500 -1.0 2.0
   41    45    73    74   3.62500 -1.0 2.0
   41    46   -53    37   0.59950  1.0 1.0
   41    46   -53    37   3.24850 -1.0 2.0
   41    46    53    54   3.00000 -1.0 2.0
   44    41    45    51   0.04300 -1.0 2.0
   44    41    45    73   0.04300 -1.0 2.0
   44    41    46    53  -0.43900 -1.0 2.0
   44    41    46    53   0.14100  1.0 3.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    59   3.62500 -1.0 2.0
   49    44    67    61   3.62500 -1.0 2.0
   49    44    67    68   3.62500 -1.0 2.0
   49    55   -59    61   3.62500 -1.0 2.0
   49    55    59    62   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    59   3.62500 -1.0 2.0
   55    59    61    67   3.62500 -1.0 2.0
   55    59    61    69   3.62500 -1.0 2.0
   55    59    62    63   0.84100 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    61   -67    44   3.62500 -1.0 2.0
   59    61    67    68   3.62500 -1.0 2.0
   59    61    69    70   0.19500  1.0 1.0
   59    61    69    70   0.12000 -1.0 2.0
   59    61    69    71   0.19500  1.0 1.0
   59    61    69    71   0.12000 -1.0 2.0
   59    61    69    72   0.19500  1.0 1.0
   59    61    69    72   0.12000 -1.0 2.0
   61    59    62    63   0.84100 -1.0 2.0
   67    44    49    50   3.62500 -1.0 2.0
   67    44   -49    55   3.62500 -1.0 2.0
   67    61    69    70   0.19500  1.0 1.0
   67    61    69    70   0.12000 -1.0 2.0
   67    61    69    71   0.19500  1.0 1.0
   67    61    69    71   0.12000 -1.0 2.0
   67    61    69    72   0.19500  1.0 1.0
   67    61    69    72   0.12000 -1.0 2.0
   69    61    67    44   3.62500 -1.0 2.0
   69    61    67    68   3.62500 -1.0 2.0
   62    59    61    67   3.62500 -1.0 2.0
   62    59    61    69   3.62500 -1.0 2.0
   45    41    44    49   0.04300 -1.0 2.0
   45    41    44    67   0.04300 -1.0 2.0
   45    41    46    53  -0.43900 -1.0 2.0
   45    41    46    53   0.14100  1.0 3.0
   45    51    57    58   3.62500 -1.0 2.0
   45    51    57    60   3.62500 -1.0 2.0
   51    45    73    64   3.62500 -1.0 2.0
   51    45    73    74   3.62500 -1.0 2.0
   51    57   -60    64   3.62500 -1.0 2.0
   51    57    60    65   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    60   3.62500 -1.0 2.0
   57    60    64    73   3.62500 -1.0 2.0
   57    60    64    75   3.62500 -1.0 2.0
   57    60    65    66   0.84100 -1.0 2.0
   58    57    60    64   3.62500 -1.0 2.0
   58    57    60    65   3.62500 -1.0 2.0
   60    64   -73    45   3.62500 -1.0 2.0
   60    64    73    74   3.62500 -1.0 2.0
   60    64    75    76   0.19500  1.0 1.0
   60    64    75    76   0.12000 -1.0 2.0
   60    64    75    77   0.19500  1.0 1.0
   60    64    75    77   0.12000 -1.0 2.0
   60    64    75    78   0.19500  1.0 1.0
   60    64    75    78   0.12000 -1.0 2.0
   64    60    65    66   0.84100 -1.0 2.0
   73    45    51    52   3.62500 -1.0 2.0
   73    45   -51    57   3.62500 -1.0 2.0
   73    64    75    76   0.19500  1.0 1.0
   73    64    75    76   0.12000 -1.0 2.0
   73    64    75    77   0.19500  1.0 1.0
   73    64    75    77   0.12000 -1.0 2.0
   73    64    75    78   0.19500  1.0 1.0
   73    64    75    78   0.12000 -1.0 2.0
   75    64    73    45   3.62500 -1.0 2.0
   75    64    73    74   3.62500 -1.0 2.0
   65    60    64    73   3.62500 -1.0 2.0
   65    60    64    75   3.62500 -1.0 2.0
   46    41    44    49   0.64500  1.0 1.0
   46    41    44    49   0.14800 -1.0 2.0
   46    41    44    49   0.20650  1.0 3.0
   46    41    44    67   0.64500  1.0 1.0
   46    41    44    67   0.14800 -1.0 2.0
   46    41    44    67   0.20650  1.0 3.0
   46    41    45    51   0.64500  1.0 1.0
   46    41    45    51   0.14800 -1.0 2.0
   46    41    45    51   0.20650  1.0 3.0
   46    41    45    73   0.64500  1.0 1.0
   46    41    45    73   0.14800 -1.0 2.0
   46    41    45    73   0.20650  1.0 3.0
   53    37    38    39   3.62500 -1.0 2.0
   53    37   -38    41   3.62500 -1.0 2.0
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
   37    47    33    29   4.00000 -1.0 2.0
   38    53    37    33   4.00000 -1.0 2.0
   39    41    38    37   4.00000 -1.0 2.0
   42    40    39    38   4.00000 -1.0 2.0
   47    43    42    39   4.00000 -1.0 2.0
   42    48    47    33   4.00000 -1.0 2.0
   49    67    44    41   4.00000 -1.0 2.0
   55    50    49    44   1.10000 -1.0 2.0
   59    56    55    49   1.10000 -1.0 2.0
   61    62    59    55   4.00000 -1.0 2.0
   67    69    61    59   4.00000 -1.0 2.0
   61    68    67    44   1.10000 -1.0 2.0
   51    73    45    41   4.00000 -1.0 2.0
   57    52    51    45   1.10000 -1.0 2.0
   60    58    57    51   1.10000 -1.0 2.0
   64    65    60    57   4.00000 -1.0 2.0
   73    75    64    60   4.00000 -1.0 2.0
   64    74    73    45   1.10000 -1.0 2.0
   37    46    53    54  10.50000 -1.0 2.0
END
