* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    140    225     408
    1     0 S   NP   _N1_     1    28.89376    95.12051   -20.16497
    2     1 S   H    _HN1     2     1.02961    85.90940    41.62667
    3     1 S   H    _H1_     3     1.02831    36.03550   168.29871
    4     1 S   H    _H2_     4     1.02777    88.04478   -66.95951
    5     1 S   CT   _CA1     5     1.50174   146.66894   163.38792
    6     5 S   HC   _HA1     6     1.09584   105.11704    62.18508
    7     5 S   CO3  _C1_     7     1.53750   112.42695   -57.70790
    8     7 S   O2Z  _O11     8     1.26354   114.98086   -40.96279
    9     7 S   O2Z  _O12     9     1.26213   114.91596   137.91664
   10     5 S   CT   _CB1    10     1.53088   107.35187   179.90309
   11    10 S   HC   HB11    11     1.09822   109.02812   -51.00247
   12    10 S   HC   HB12    12     1.09798   110.54366    65.43806
   13    10 S   CT   _CG1    13     1.52995   112.80351  -172.14437
   14    13 S   HC   HG11    14     1.09526   110.43504   -67.96856
   15    13 S   HC   HG12    15     1.09674   109.94474    51.13393
   16    13 S   C    _CD1    16     1.51872   112.37789   171.06965
   17    16 S   O    _OE1    17     1.22732   123.26094    -2.26788
   18    16 S   N    _N2_    18     1.38578   111.67340   178.53580
   19    18 S   H    _HN2    19     1.01625   118.89099    -1.54712
   20    18 S   CT1  _CA2    20     1.46302   123.52360   176.10600
   21    20 S   HC   _HA2    21     1.09751   109.29292   -12.11429
   22    20 S   C    _C2_    22     1.53448   108.09119  -127.25018
   23    22 S   O    _O2_    23     1.23018   122.49778  -147.60775
   24    20 S   CT   _CB2    32     1.53343   111.59122   110.33639
   25    24 S   HC   HB21    33     1.09283   109.55065    53.62597
   26    24 S   HC   HB22    34     1.09517   110.59230   171.55157
   27    22 S   N    _N3_    24     1.38408   113.37578    40.04027
   28    27 S   H    _HN3    25     1.01646   119.47689    -3.82817
   29    24 S   S    _SG2    35     1.82971   111.01606   -70.35949
   30    27 S   CT   _CA3    26     1.45279   123.12691   176.88178
   31    30 S   HC   HA31    27     1.09553   107.58512   -62.50506
   32    30 S   HC   HA32    28     1.09559   107.88182    53.89645
   33    29 S   CT   _C5_    36     1.87542   102.67014   139.05601
   34    30 S   CO3  _C3_    29     1.52930   114.12945   175.85386
   35    34 S   O2Z  _O31    30     1.26365   116.05374     0.00000
   36    34 S   O2Z  _O32    31     1.26430   114.41300  -179.95577
   37    33 S   CT   _C6_    37     1.56104   106.54981   172.79377
   38    37 S   HC   _H10    38     1.09667   108.81089  -162.12634
   39    37 S   HC   _H11    39     1.09741   110.56503   -47.39633
   40    33 S   CT   _C4_    73     1.54422   106.58761    57.95149
   41    40 S   HC   _H7_    74     1.09457   112.39640   -70.40849
   42    40 S   HC   _H8_    75     1.09619   111.29377   169.90507
   43    40 S   HC   _H9_    76     1.09680   111.71411    51.29906
   44    37 S   S    _S1_    40     1.83675   120.06282    77.96454
   45    44 S   C4T  _C7_    41     1.80908    99.53532    -3.10230
   46    45 S   HC   _H3_    42     1.09485   114.16305   -83.26437
   47    45 S   C4T  _C8_    43     1.55222   117.93396   142.17138
   48    47 S   HC   _H4_    44     1.09526   113.79530   129.89821
   49    45 S   N4   _N4_    47     1.44971   109.85419    45.03669
   50    47 S   C4   _C9_    45     1.55424    84.93387  -117.81840
   51    50 S   O    _O33    46     1.20853   136.75963  -176.36186
   52    33 S   CT1  _C10    48     1.55658   111.08532   -65.12577
   53    52 S   HC   _H5_    49     1.09551   111.82637    47.51258
   54    47 S   N    _N5_    53     1.47792   117.68302    -3.89752
   55    54 S   H    _H12    54     1.01732   118.96804   -82.46498
   56    52 S   CO3  _C11    50     1.55121   110.92258   165.53221
   57    56 S   O2Z  _O35    51     1.26323   116.21731    77.62181
   58    56 S   O2Z  _O34    52     1.26533   114.48671  -102.24875
   59    54 S   C    _C12    55     1.38959   122.54301    93.88778
   60    59 S   O    _O36    56     1.22967   124.00618     2.20620
   61    59 S   CT1  _C13    57     1.52963   112.34970  -176.53259
   62    61 S   HC   _H6_    58     1.09741   108.40268   -36.02810
   63    61 S   CA   _C14    59     1.51522   110.57011    84.41004
   64    61 S   NT   _N6_    70     1.46706   108.76821  -151.97596
   65    64 S   H    _H18    71     1.01922   109.33391   174.83381
   66    64 S   H    _H19    72     1.01944   109.44366    58.87259
   67    63 S   CA   _C15    60     1.40311   119.93166  -110.83079
   68    67 S   HA   _H13    61     1.08735   120.49853    -1.07702
   69    67 S   CA   _C16    62     1.39616   120.61977   178.49950
   70    69 S   HA   _H14    63     1.08630   119.90738  -179.84677
   71    69 S   CA   _C17    64     1.39314   120.11114    -0.12033
   72    71 S   HA   _H15    65     1.08607   120.04158  -179.86294
   73    71 S   CA   _C18    66     1.39301   119.91685    -0.08847
   74    73 S   HA   _H16    67     1.08621   120.01243  -179.69226
   75    63 S   CA   _C19    68     1.40424   121.40789    67.25711
   76    75 S   HA   _H17    69     1.08761   120.37367     1.10021
  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  13   5   4   3
  16   2   1   1  14   5   4   8   3   2   1   8  12   6  10   6
   8   7   2   4   3   7   3   2   1   1   9   4  11   6  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    52    53    56    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    49    52    53    56    57    58    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    49    52    53    56    40    41    42    43  
   39    44    45    52    40  
   44    45    52    40  
   41    42    43    44    49    52    53    56  
   42    43    52  
   43    52  
   52  
   45    46    47    48    50    49    52    54  
   46    47    48    50    51    49    52    53    56    54    55    59  
   47    48    50    49    52    54  
   48    50    51    49    52    54    55    59    60    61  
   50    51    49    54    55    59  
   52    53    56    57    58    54    50    51  
   51    52    53    56    54    55    59  
   52    54  
   53    56    57    58  
   56    57    58  
   55    59    60    61    62    63    64  
   59    60    61  
   57    58  
   58  
    0  
   60    61    62    63    67    75    64    65    66  
   61    62    63    64  
   62    63    67    68    69    73    75    76    64    65    66  
   63    67    75    64    65    66  
   67    68    69    70    71    73    74    75    76    64    65    66  
   65    66    67    75  
   66  
    0  
   68    69    70    71    72    73    75    76  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76  
   73    74    75  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.360000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   222.000  1.810
   44    45   200.000  1.824
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   305.000  1.456
   47    48   340.000  1.090
   47    50   250.000  1.540
   47    54   337.000  1.449
   50    51   930.000  1.212
   50    49   440.000  1.369
   49    52   337.000  1.449
   52    53   340.000  1.090
   52    56   317.000  1.522
   56    57   656.000  1.250
   56    58   656.000  1.250
   54    55   434.000  1.010
   54    59   490.000  1.335
   59    60   570.000  1.229
   59    61   317.000  1.522
   61    62   340.000  1.090
   61    63   275.000  1.474
   61    64   305.000  1.457
   63    67   469.000  1.400
   63    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   64    65   434.000  1.010
   64    66   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    75.00000  111.63000
   33    52    49    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    56    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    45    46    45.00000  109.41400
   44    45    47    65.00000  119.05700
   44    45    49    80.00000  108.62000
   45    47    48    37.50000  110.70000
   45    47    50   100.00000   86.36000
   45    47    54    80.00000  110.05700
   45    49    50   100.00000   93.00000
   45    49    52    50.00000  132.70000
   47    45    46    37.50000  110.70000
   47    50    51    60.00000  136.58000
   47    50    49    95.00000   92.72400
   47    54    55    38.00000  118.40000
   47    54    59    50.00000  121.90000
   50    47    48    40.00000  113.37500
   50    49    52    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    47   105.00000   87.49700
   49    50    51    75.00000  131.60000
   49    52    53    35.00000  109.50000
   49    52    56    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    56    57    70.00000  117.00000
   52    56    58    70.00000  117.00000
   56    52    53    35.00000  109.50000
   58    56    57    80.00000  126.00000
   54    47    48    50.00000  112.01000
   54    47    50    75.00000  110.24000
   54    59    60    80.00000  122.90000
   54    59    61    70.00000  116.60000
   59    54    55    35.00000  119.80000
   59    61    62    35.00000  109.50000
   59    61    63    70.00000  102.60000
   59    61    64    75.00000  111.54000
   61    59    60    80.00000  120.40000
   61    63    67    60.00000  125.54000
   61    63    75    60.00000  125.54000
   61    64    65    50.00000  111.55300
   61    64    66    50.00000  111.55300
   63    61    62    45.00000  110.88000
   63    67    68    35.00000  120.00000
   63    67    69    63.00000  120.00000
   63    75    73    63.00000  120.00000
   63    75    76    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   75    63    67    63.00000  120.00000
   75    73    74    35.00000  120.00000
   64    61    62    50.00000  109.55000
   64    61    63    75.00000  112.33000
   66    64    65    43.60000  106.40000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    49   0.71400  1.0 1.0
   29    33    52    49   0.04300 -1.0 2.0
   29    33    52    49   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56  -2.17200  1.0 1.0
   29    33    52    56  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45  -0.25000 -1.0 2.0
   33    37    44    45  -0.01800  1.0 3.0
   33    52    56    57   0.00000  1.0 1.0
   33    52    56    58   0.00000  1.0 1.0
   37    33    52    49   0.42250  1.0 1.0
   37    33    52    49  -0.48100 -1.0 2.0
   37    33    52    49   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56  -0.84850  1.0 1.0
   37    33    52    56  -0.22800 -1.0 2.0
   37    33    52    56   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    45    46   0.00000  1.0 1.0
   37    44    45    47   0.25150  1.0 1.0
   37    44    45    47  -1.17200 -1.0 2.0
   37    44    45    47   0.53050  1.0 3.0
   37    44   -45    49   0.01700  1.0 1.0
   37    44   -45    49  -0.23550 -1.0 2.0
   37    44   -45    49   0.21350  1.0 3.0
   38    37    44    45   0.32350  1.0 3.0
   39    37    44    45   0.32350  1.0 3.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    50   0.00000  1.0 1.0
   44    45    47    54   0.00000  1.0 1.0
   44    45   -49    50   0.00000  1.0 1.0
   44    45    49    52   0.00000  1.0 1.0
   45    47    50    51  -0.11250  1.0 1.0
   45    47    50    51   0.11400 -1.0 2.0
   45    47    50    51  -0.28950  1.0 3.0
   45    47   -50    49   3.00000 -1.0 2.0
   45    47    54    55   0.00000  1.0 1.0
   45    47    54    59  -0.43950  1.0 1.0
   45    47    54    59  -0.08100 -1.0 2.0
   45    47    54    59   0.03350  1.0 3.0
   45    49   -52    33   0.00000  1.0 1.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    56   0.00000  1.0 1.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45   -49    50   0.00000  1.0 1.0
   46    45    49    52   0.00000  1.0 1.0
   47    45   -49    50   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    50   -49    45   3.00000 -1.0 2.0
   47    50   -49    52   3.00000 -1.0 2.0
   47    54    59    60   3.04450 -1.0 2.0
   47    54    59    61   1.15000  1.0 1.0
   47    54    59    61   3.04450 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    49   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    59   0.00000  1.0 1.0
   50    47    54    55   0.00000  1.0 1.0
   50    47    54    59  -0.42300  1.0 1.0
   50    47    54    59  -0.07000 -1.0 2.0
   50    47    54    59   0.04150  1.0 3.0
   50    49    52    33   0.00000  1.0 1.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.00000  1.0 1.0
   51    50   -49    45   3.00000 -1.0 2.0
   51    50    49    52   3.00000 -1.0 2.0
   49    45   -47    48   0.15000  1.0 3.0
   49    45   -47    50   3.00000 -1.0 2.0
   49    45    47    54   2.20050  1.0 1.0
   49    45    47    54   0.63450 -1.0 2.0
   49    45    47    54  -0.91300  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    58   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44   0.44750  1.0 1.0
   52    33   -37    44  -0.17800 -1.0 2.0
   52    33   -37    44   0.20200  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    58   0.00000  1.0 1.0
   54    47    50    51   0.30150 -1.0 2.0
   54    47   -50    49   0.00000  1.0 1.0
   54    59    61    62   0.00000  1.0 1.0
   54    59    61    63   0.00000  1.0 1.0
   54    59    61    64   0.00000  1.0 1.0
   55    54    59    60   2.45000 -1.0 2.0
   55    54    59    61   2.45000 -1.0 2.0
   59    61    63    67   0.04300 -1.0 2.0
   59    61    63    75   0.04300 -1.0 2.0
   59    61    64    65   0.21900  1.0 1.0
   59    61    64    65  -0.24900 -1.0 2.0
   59    61    64    65   0.15200  1.0 3.0
   59    61    64    66   0.21900  1.0 1.0
   59    61    64    66  -0.24900 -1.0 2.0
   59    61    64    66   0.15200  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.30150 -1.0 2.0
   60    59    61    64   0.30150 -1.0 2.0
   61    63    67    68   3.62500 -1.0 2.0
   61    63    67    69   3.62500 -1.0 2.0
   61    63    75    73   3.62500 -1.0 2.0
   61    63    75    76   3.62500 -1.0 2.0
   62    61    63    67   0.00000  1.0 1.0
   62    61    63    75   0.00000  1.0 1.0
   62    61    64    65   0.20000  1.0 3.0
   62    61    64    66   0.20000  1.0 3.0
   63    61    64    65   0.76500  1.0 1.0
   63    61    64    65   0.05700 -1.0 2.0
   63    61    64    65  -0.90900  1.0 3.0
   63    61    64    66   0.76500  1.0 1.0
   63    61    64    66   0.05700 -1.0 2.0
   63    61    64    66  -0.90900  1.0 3.0
   63    67    69    70   3.62500 -1.0 2.0
   63    67    69    71   3.62500 -1.0 2.0
   67    63    75    73   3.62500 -1.0 2.0
   67    63    75    76   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    63   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   74    73    75    63   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    63    67    68   3.62500 -1.0 2.0
   75    63   -67    69   3.62500 -1.0 2.0
   64    61    63    67   0.18550 -1.0 2.0
   64    61    63    67   0.14000  1.0 3.0
   64    61    63    75   0.18550 -1.0 2.0
   64    61    63    75   0.14000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.44750  1.0 1.0
   40    33    37    44  -0.17800 -1.0 2.0
   40    33    37    44   0.20200  1.0 3.0
   40    33    52    49   0.42250  1.0 1.0
   40    33    52    49  -0.48100 -1.0 2.0
   40    33    52    49   0.35650  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    56  -0.84850  1.0 1.0
   40    33    52    56  -0.22800 -1.0 2.0
   40    33    52    56   0.29250  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
   35    30    34    36  10.50000 -1.0 2.0
   47    49    50    51  10.50000 -1.0 2.0
   52    50    49    45   1.00000 -1.0 2.0
   57    52    56    58  10.50000 -1.0 2.0
   55    59    54    47   1.00000 -1.0 2.0
   54    61    59    60  10.50000 -1.0 2.0
   67    75    63    61   4.00000 -1.0 2.0
   69    68    67    63   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    63   1.10000 -1.0 2.0
END
