* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    220     418
    1     0 S   NP   _N1_     1    28.94835    93.43493   -19.68725
    2     1 S   H    _HN1     2     1.02969   102.56012    50.24314
    3     1 S   H    _H1_     3     1.02827    23.98202   153.82466
    4     1 S   H    _H2_     4     1.02767    87.75652   -58.10134
    5     1 S   CT   _CA1     5     1.50203   132.34530  -176.70580
    6     5 S   HC   _HA1     6     1.09584   105.13234    46.80757
    7     5 S   CO3  _C1_     7     1.53847   112.53296   -72.92559
    8     7 S   O2Z  _O11     8     1.26345   115.06941   -36.19063
    9     7 S   O2Z  _O12     9     1.26263   114.95080   142.82309
   10     5 S   CT   _CB1    10     1.53103   107.27086   164.48269
   11    10 S   HC   HB11    11     1.09809   109.10118   -51.12729
   12    10 S   HC   HB12    12     1.09790   110.37256    65.20977
   13    10 S   CT   _CG1    13     1.52997   112.97325  -172.47598
   14    13 S   HC   HG11    14     1.09533   110.20547   -63.96634
   15    13 S   HC   HG12    15     1.09629   110.25063    55.06773
   16    13 S   C    _CD1    16     1.51863   112.16717   174.82343
   17    16 S   O    _OE1    17     1.22745   123.03027   -19.73350
   18    16 S   N    _N2_    18     1.38567   111.85910   161.82837
   19    18 S   H    _HN2    19     1.01589   118.97028    -0.57403
   20    18 S   CT1  _CA2    20     1.46326   123.60763   179.83687
   21    20 S   HC   _HA2    21     1.09743   109.25202   -19.14081
   22    20 S   C    _C2_    22     1.53478   107.92375  -134.60539
   23    22 S   O    _O2_    23     1.22992   122.42124  -145.12141
   24    20 S   CT   _CB2    32     1.53552   111.47723   103.25942
   25    24 S   HC   HB21    33     1.09516   109.50017    51.98387
   26    24 S   HC   HB22    34     1.09419   110.40076   170.63548
   27    22 S   N    _N3_    24     1.38567   113.22792    42.19981
   28    27 S   H    _HN3    25     1.01539   118.88569    -0.51926
   29    24 S   S    _SG2    35     1.82981   111.40194   -70.10014
   30    27 S   CT   _CA3    26     1.45455   123.49143   175.24235
   31    30 S   HC   HA31    27     1.09520   109.26888    23.37643
   32    30 S   HC   HA32    28     1.09496   107.09630   140.38450
   33    29 S   CT   _C13    36     1.88470   100.58453   150.50811
   34    33 S   HC   _H3_    37     1.09355   104.52919   -27.00559
   35    30 S   CO3  _C3_    29     1.52929   113.16553  -100.13282
   36    35 S   O2Z  _O31    30     1.26401   115.44375   -43.29223
   37    35 S   O2Z  _O32    31     1.26362   114.96110   137.68049
   38    33 S   CT   _C14    38     1.59668   111.73606  -143.44389
   39    38 S   CM   _C5_    39     1.53604   109.88249   -80.23156
   40    38 S   CT   _C17    72     1.55445   109.40638   162.42077
   41    40 S   HC   _H34    73     1.09495   111.46885   -45.93010
   42    40 S   HC   _H35    74     1.09452   112.35073  -165.88859
   43    40 S   HC   _H36    75     1.09216   112.62184    75.52159
   44    39 S   CM   _C4_    40     1.34373   124.22323   -12.67107
   45    44 S   HC   _H21    41     1.08544   121.67884   179.00495
   46    39 S   CT   _C9_    56     1.51224   116.79985   169.34510
   47    46 S   HC   _H24    57     1.09705   108.90711    70.31936
   48    46 S   HC   _H25    58     1.09697   111.29229  -172.94531
   49    44 S   CO4  _C6_    42     1.48529   122.57078    -4.45184
   50    49 S   O    _O16    43     1.23137   118.89161   173.49868
   51    46 S   CT   _C10    59     1.51859   112.08241   -51.06762
   52    51 S   HC   _H26    60     1.09704   109.85416   177.20656
   53    51 S   HC   _H27    61     1.09833   110.25106   -66.91556
   54    33 S   CT   _C15    44     1.56603   108.90644    89.92630
   55    51 S   CT   _C12    62     1.52511   111.54308    55.39757
   56    55 S   HC   _H29    63     1.09519   110.44026    66.14064
   57    54 S   CM   _C8_    45     1.53669   116.05961  -163.53387
   58    54 S   OH   _O18    54     1.43559   109.59319   -44.27086
   59    58 S   HO   _H40    55     0.97329   107.97207  -178.72068
   60    38 S   CT   _C11    64     1.59125   112.22318    42.27983
   61    60 S   HC   _H28    65     1.09579   109.58699   -52.77476
   62    55 S   OH   _O17    70     1.42817   108.01257  -177.03021
   63    62 S   HO   _H39    71     0.97235   107.53444   -64.57706
   64    57 S   CM   _C7_    46     1.34724   124.43838  -122.81161
   65    64 S   HC   _H22    47     1.08609   121.18011  -179.24931
   66    64 S   HC   _H23    48     1.08354   123.11402     0.34830
   67    57 S   CT   _C18    49     1.51500   117.50899    58.40813
   68    67 S   HC   _H37    50     1.09577   111.68298  -172.10631
   69    67 S   HC   _H38    51     1.09282   111.34163   -52.48727
   70    60 S   CT   _C16    66     1.53940   113.09705    65.04223
   71    70 S   HC   _H31    67     1.09447   111.66316    68.53547
   72    70 S   HC   _H32    68     1.09312   111.89411   -52.99550
   73    70 S   HC   _H33    69     1.09444   110.76946  -172.16393
   74    67 S   OH   _O19    52     1.42002   110.06472    68.34444
   75    74 S   HO   _H41    53     0.97218   107.14065  -178.99342
  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  10   5   4   3
  21   8   2   1   1  24  19  10   3   2   1  11   4  10   5   4
   7   3   9   5   4  11   9   5  10   3   1   7   5   2   1   6
   2   1   4   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    54    57    58    60    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    49    50    54    57    64    67    58    59    46    55    60    61    70    40    41    42    43  
   38    39    49    54    57    58    60    40  
   36    37  
   37  
    0  
   39    44    45    49    54    57    58    46    47    48    51    55    56    60    61    70    71    72    73    62    40    41    42    43  
   44    45    49    50    54    46    47    48    51    52    53    55    60    61    70    40    41    42    43  
   41    42    43    44    46    54    55    60    61    70  
   42    43    60  
   43    60  
   60  
   45    49    50    54    57    58    46    47    48    51    60  
   49    50    54    46  
   47    48    51    52    53    55    56    60    62    49  
   48    51    52    53    55  
   51    52    53    55  
   50    54    57    64    67    58    59  
   54    57    58  
   52    53    55    56    60    61    70    62    63  
   53    55    56    60    62  
   55    56    60    62  
   57    64    65    66    67    68    69    74    58    59    60  
   56    60    61    70    71    72    73    62    63  
   60    61    70    62    63  
   64    65    66    67    68    69    74    75    58    59  
   59    64    67  
    0  
   61    70    71    72    73    62    63  
   70    71    72    73    62  
   63    70  
    0  
   65    66    67    68    69    74  
   66    67  
   67  
   68    69    74    75  
   69    74    75  
   74    75  
   71    72    73  
   72    73  
   73  
    0  
   75  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   317.000  1.510
   38    60   268.000  1.529
   38    40   268.000  1.529
   39    44   549.000  1.340
   39    46   317.000  1.510
   44    45   340.000  1.080
   44    49   320.000  1.462
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    57   317.000  1.510
   54    58   320.000  1.410
   57    64   549.000  1.340
   57    67   317.000  1.510
   64    65   340.000  1.080
   64    66   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   320.000  1.410
   74    75   553.000  0.945
   58    59   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    62   320.000  1.410
   60    61   340.000  1.090
   60    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    63   553.000  0.945
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  112.02700
   33    38    60    58.35000  112.70000
   33    38    40    58.35000  112.70000
   33    54    49    63.00000  111.10000
   33    54    57    70.00000  112.02700
   33    54    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    39    44    70.00000  124.00000
   38    39    46    65.00000  117.92700
   38    60    55    58.35000  112.70000
   38    60    61    37.50000  110.70000
   38    60    70    58.35000  112.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    43    37.50000  110.70000
   39    44    45    35.00000  120.00000
   39    44    49    65.00000  118.96000
   39    46    47    35.00000  109.50000
   39    46    48    35.00000  109.50000
   39    46    51    70.00000  112.02700
   44    49    50    80.00000  123.72100
   44    49    54    65.00000  118.62400
   49    44    45    40.00000  117.72500
   49    54    57    70.00000  109.06800
   49    54    58    90.00000  109.61100
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    49    50    80.00000  120.40000
   54    57    64    70.00000  124.00000
   54    57    67    65.00000  117.92700
   54    58    59    55.00000  108.50000
   57    64    65    35.00000  120.00000
   57    64    66    35.00000  120.00000
   57    67    68    35.00000  109.50000
   57    67    69    35.00000  109.50000
   57    67    74    90.00000  110.39200
   66    64    65    35.00000  117.00000
   67    57    64    70.00000  124.00000
   67    74    75    55.00000  108.50000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   58    54    57    90.00000  110.39200
   46    39    44    70.00000  124.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   51    55    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    70    58.35000  112.70000
   55    62    63    55.00000  108.50000
   60    38    39    70.00000  112.02700
   60    55    56    37.50000  110.70000
   60    70    71    37.50000  110.70000
   60    70    72    37.50000  110.70000
   60    70    73    37.50000  110.70000
   70    60    61    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    60    50.00000  109.50000
   40    38    39    70.00000  112.02700
   40    38    60    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    60   0.44750  1.0 1.0
   29    33    38    60  -0.17800 -1.0 2.0
   29    33    38    60   0.20200  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    39    44   0.09850  1.0 1.0
   33    38    39    44   0.15250 -1.0 2.0
   33    38    39    44  -0.50650  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    60    55   0.56750  1.0 1.0
   33    38    60    55  -0.07550 -1.0 2.0
   33    38    60    55   0.20000  1.0 3.0
   33    38    60    61   0.15000  1.0 3.0
   33    38    60    70   0.56750  1.0 1.0
   33    38    60    70  -0.07550 -1.0 2.0
   33    38    60    70   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    43   0.15000  1.0 3.0
   33    54    57    64   0.09850  1.0 1.0
   33    54    57    64   0.15250 -1.0 2.0
   33    54    57    64  -0.50650  1.0 3.0
   33    54    57    67   0.46850  1.0 1.0
   33    54    57    67   0.08550 -1.0 2.0
   33    54    57    67   0.09800  1.0 3.0
   33    54    58    59  -0.11600  1.0 1.0
   33    54    58    59  -0.09450 -1.0 2.0
   33    54    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    60   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    54    49  -0.11250  1.0 3.0
   34    33    54    57   0.15000  1.0 3.0
   34    33    54    58   0.23400  1.0 3.0
   38    33    54    49  -0.95700  1.0 1.0
   38    33    54    49  -0.18200 -1.0 2.0
   38    33    54    49   0.29450  1.0 3.0
   38    33    54    57   0.34400  1.0 1.0
   38    33    54    57   0.09450 -1.0 2.0
   38    33    54    57   0.11100  1.0 3.0
   38    33    54    58   0.86500  1.0 1.0
   38    33    54    58  -0.17500 -1.0 2.0
   38    33    54    58   0.20800  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    49   7.00000 -1.0 2.0
   38    39    46    47   0.34800  1.0 3.0
   38    39    46    48   0.34800  1.0 3.0
   38    39    46    51   0.46850  1.0 1.0
   38    39    46    51   0.08550 -1.0 2.0
   38    39    46    51   0.09800  1.0 3.0
   38    60    70    71   0.15000  1.0 3.0
   38    60    70    72   0.15000  1.0 3.0
   38    60    70    73   0.15000  1.0 3.0
   39    38    60    55   0.34400  1.0 1.0
   39    38    60    55   0.09450 -1.0 2.0
   39    38    60    55   0.11100  1.0 3.0
   39    38    60    61   0.15000  1.0 3.0
   39    38    60    70   0.34400  1.0 1.0
   39    38    60    70   0.09450 -1.0 2.0
   39    38    60    70   0.11100  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    44    49    50   1.00000 -1.0 2.0
   39    44    49    54  -0.33500  1.0 1.0
   39    44    49    54   1.06600 -1.0 2.0
   39    44    49    54  -0.14000  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    53   0.15000  1.0 3.0
   39    46   -51    55   0.34400  1.0 1.0
   39    46   -51    55   0.09450 -1.0 2.0
   39    46   -51    55   0.11100  1.0 3.0
   44    39    46    47   0.00000  1.0 1.0
   44    39    46    48   0.00000  1.0 1.0
   44    39    46    51   0.09850  1.0 1.0
   44    39    46    51   0.15250 -1.0 2.0
   44    39    46    51  -0.50650  1.0 3.0
   44    49   -54    33   0.65300  1.0 1.0
   44    49   -54    33  -0.03850 -1.0 2.0
   44    49   -54    33   0.33900  1.0 3.0
   44    49    54    57   0.65300  1.0 1.0
   44    49    54    57  -0.03850 -1.0 2.0
   44    49    54    57   0.33900  1.0 3.0
   44    49    54    58   0.65300  1.0 1.0
   44    49    54    58  -0.03850 -1.0 2.0
   44    49    54    58   0.33900  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54   0.04550  1.0 1.0
   45    44    49    54   0.83000 -1.0 2.0
   45    44    49    54  -0.04000  1.0 3.0
   49    54    57    64  -0.51250  1.0 1.0
   49    54    57    64  -0.88800 -1.0 2.0
   49    54    57    64   0.08850  1.0 3.0
   49    54    57    67   0.17250  1.0 1.0
   49    54    57    67  -0.04100 -1.0 2.0
   49    54    57    67  -0.33850  1.0 3.0
   49    54    58    59   0.91850  1.0 1.0
   49    54    58    59   0.57950  1.0 3.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    57   0.30150 -1.0 2.0
   50    49    54    58   0.30150 -1.0 2.0
   54    33   -38    39   0.34400  1.0 1.0
   54    33   -38    39   0.09450 -1.0 2.0
   54    33   -38    39   0.11100  1.0 3.0
   54    33    38    60   0.56750  1.0 1.0
   54    33    38    60  -0.07550 -1.0 2.0
   54    33    38    60   0.20000  1.0 3.0
   54    33    38    40   0.56750  1.0 1.0
   54    33    38    40  -0.07550 -1.0 2.0
   54    33    38    40   0.20000  1.0 3.0
   54    57    64    65   7.00000 -1.0 2.0
   54    57    64    66   7.00000 -1.0 2.0
   54    57    67    68   0.34800  1.0 3.0
   54    57    67    69   0.34800  1.0 3.0
   54    57    67    74   0.18000  1.0 1.0
   54    57    67    74   0.16450 -1.0 2.0
   54    57    67    74   0.04450  1.0 3.0
   57    54    58    59  -0.07800  1.0 1.0
   57    54    58    59  -0.21500 -1.0 2.0
   57    54    58    59  -0.03150  1.0 3.0
   57    67    74    75  -0.07800  1.0 1.0
   57    67    74    75  -0.21500 -1.0 2.0
   57    67    74    75  -0.03150  1.0 3.0
   64    57    67    68   0.00000  1.0 1.0
   64    57    67    69   0.00000  1.0 1.0
   64    57    67    74   0.67800  1.0 1.0
   64    57    67    74   0.47050 -1.0 2.0
   64    57    67    74  -0.62500  1.0 3.0
   67    57    64    65   7.00000 -1.0 2.0
   67    57    64    66   7.00000 -1.0 2.0
   68    67    74    75   0.19450  1.0 3.0
   69    67    74    75   0.19450  1.0 3.0
   58    54    57    64   0.67800  1.0 1.0
   58    54    57    64   0.47050 -1.0 2.0
   58    54    57    64  -0.62500  1.0 3.0
   58    54    57    67   0.18000  1.0 1.0
   58    54    57    67   0.16450 -1.0 2.0
   58    54    57    67   0.04450  1.0 3.0
   46    39    44    45   7.00000 -1.0 2.0
   46    39    44    49   7.00000 -1.0 2.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    60   0.56750  1.0 1.0
   46    51    55    60  -0.07550 -1.0 2.0
   46    51    55    60   0.20000  1.0 3.0
   46    51    55    62   0.86500  1.0 1.0
   46    51    55    62  -0.17500 -1.0 2.0
   46    51    55    62   0.20800  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    55   -60    38   0.56750  1.0 1.0
   51    55   -60    38  -0.07550 -1.0 2.0
   51    55   -60    38   0.20000  1.0 3.0
   51    55    60    61   0.15000  1.0 3.0
   51    55    60    70   0.56750  1.0 1.0
   51    55    60    70  -0.07550 -1.0 2.0
   51    55    60    70   0.20000  1.0 3.0
   51    55    62    63  -0.11600  1.0 1.0
   51    55    62    63  -0.09450 -1.0 2.0
   51    55    62    63   0.21250  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    55    62   0.23400  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    60   0.15000  1.0 3.0
   53    51    55    62   0.23400  1.0 3.0
   55    60    70    71   0.15000  1.0 3.0
   55    60    70    72   0.15000  1.0 3.0
   55    60    70    73   0.15000  1.0 3.0
   56    55    60    38   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    70   0.15000  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   60    38    39    44   0.09850  1.0 1.0
   60    38    39    44   0.15250 -1.0 2.0
   60    38    39    44  -0.50650  1.0 3.0
   60    38   -39    46   0.46850  1.0 1.0
   60    38   -39    46   0.08550 -1.0 2.0
   60    38   -39    46   0.09800  1.0 3.0
   60    38    40    41   0.15000  1.0 3.0
   60    38    40    42   0.15000  1.0 3.0
   60    38    40    43   0.15000  1.0 3.0
   60    55    62    63  -0.11600  1.0 1.0
   60    55    62    63  -0.09450 -1.0 2.0
   60    55    62    63   0.21250  1.0 3.0
   61    60    70    71   0.15000  1.0 3.0
   61    60    70    72   0.15000  1.0 3.0
   61    60    70    73   0.15000  1.0 3.0
   62    55    60    38   0.86500  1.0 1.0
   62    55    60    38  -0.17500 -1.0 2.0
   62    55    60    38   0.20800  1.0 3.0
   62    55    60    61   0.23400  1.0 3.0
   62    55    60    70   0.86500  1.0 1.0
   62    55    60    70  -0.17500 -1.0 2.0
   62    55    60    70   0.20800  1.0 3.0
   40    38    39    44   0.09850  1.0 1.0
   40    38    39    44   0.15250 -1.0 2.0
   40    38    39    44  -0.50650  1.0 3.0
   40    38    39    46   0.46850  1.0 1.0
   40    38    39    46   0.08550 -1.0 2.0
   40    38    39    46   0.09800  1.0 3.0
   40    38    60    55   0.56750  1.0 1.0
   40    38    60    55  -0.07550 -1.0 2.0
   40    38    60    55   0.20000  1.0 3.0
   40    38    60    61   0.15000  1.0 3.0
   40    38    60    70   0.56750  1.0 1.0
   40    38    60    70  -0.07550 -1.0 2.0
   40    38    60    70   0.20000  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   38    46    39    44   1.10000 -1.0 2.0
   49    45    44    39   1.10000 -1.0 2.0
   44    54    49    50  10.50000 -1.0 2.0
   54    67    57    64  15.00000 -1.0 2.0
   65    66    64    57  15.00000 -1.0 2.0
END
