* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    143    210     418
    1     0 S   NP   _N1_     1    28.72028    93.14742   -22.51603
    2     1 S   H    _HN1     2     1.02839    19.52209   144.59623
    3     1 S   H    _H1_     3     1.02778    96.84750   -89.44255
    4     1 S   H    _H2_     4     1.02963    96.33979    19.94926
    5     1 S   CT   _CA1     5     1.50123   130.25926   143.57772
    6     5 S   HC   _HA1     6     1.09567   105.26814    59.56738
    7     5 S   CO3  _C1_     7     1.53846   112.32508   -60.77069
    8     7 S   O2Z  _O11     8     1.26371   114.99765   -43.62646
    9     7 S   O2Z  _O12     9     1.26234   114.93925   135.56272
   10     5 S   CT   _CB1    10     1.53100   107.43922   177.61657
   11    10 S   HC   HB11    11     1.09825   109.53987   -49.35177
   12    10 S   HC   HB12    12     1.09826   110.29707    67.23739
   13    10 S   CT   _CG1    13     1.53028   112.66579  -170.40609
   14    13 S   HC   HG11    14     1.09596   110.41990   -60.48326
   15    13 S   HC   HG12    15     1.09634   110.06583    58.76804
   16    13 S   C    _CD1    16     1.51818   112.23227   179.25928
   17    16 S   O    _OE1    17     1.22727   123.22170    -4.78897
   18    16 S   N    _N2_    18     1.38626   111.65377   175.11613
   19    18 S   H    _HN2    19     1.01573   119.07845     2.75492
   20    18 S   CT1  _CA2    20     1.46282   123.37749  -176.52717
   21    20 S   HC   _HA2    21     1.09723   109.41951    -7.66324
   22    20 S   C    _C2_    22     1.53369   108.36354  -123.56650
   23    22 S   O    _O2_    23     1.23008   122.33968  -144.11303
   24    20 S   CT   _CB2    32     1.53417   111.31470   114.14424
   25    24 S   HC   HB21    33     1.09581   109.63200    58.24725
   26    24 S   HC   HB22    34     1.09487   110.31598   177.22470
   27    22 S   N    _N3_    24     1.38539   113.35521    43.11012
   28    27 S   H    _HN3    25     1.01511   118.95059    -0.33220
   29    24 S   S    _SG2    35     1.82783   111.65887   -62.26820
   30    27 S   CT   _CA3    26     1.45424   123.28260   175.23988
   31    30 S   HC   HA31    27     1.09534   109.09700    27.59330
   32    30 S   HC   HA32    28     1.09495   107.17446   144.55997
   33    29 S   CT   _C15    36     1.83676    99.39642   169.56615
   34    33 S   HC   _H3_    37     1.09273   107.26221   -40.87502
   35    30 S   CO3  _C3_    29     1.52919   113.13374   -95.78448
   36    35 S   O2Z  _O31    30     1.26401   115.39416   -45.60744
   37    35 S   O2Z  _O32    31     1.26355   114.99024   135.32854
   38    33 S   CM   _C14    38     1.50820   107.53157  -157.56001
   39    38 S   HC   _H18    39     1.08881   117.49781   -59.57912
   40    33 S   CM   _C16    64     1.50652   109.24985    81.46501
   41    40 S   HC   _H19    65     1.09280   114.64471    66.83532
   42    38 S   CM   _C13    40     1.34266   123.60738   119.06413
   43    42 S   HC   _H17    41     1.08740   119.57695     1.69420
   44    40 S   CMA  _C17    66     1.35574   128.70494  -113.14907
   45    44 S   OM   _O34    67     1.26156   126.69115  -179.80517
   46    42 S   CT   _C12    42     1.50258   123.67192  -177.34495
   47    46 S   HC   _H15    43     1.09725   111.01561    -2.61030
   48    46 S   HC   _H16    44     1.09680   107.93680  -119.05984
   49    44 S   NE   _N4_    68     1.39394   121.16431     0.65611
   50    49 S   H    _H20    69     1.01291   115.78175    -5.48148
   51    46 S   CT   _C11    45     1.53371   112.78444   120.89063
   52    51 S   HC   _H13    46     1.09505   108.71952   172.00134
   53    51 S   HC   _H14    47     1.09771   109.87035    57.01176
   54    49 S   CT   _C18    70     1.46019   129.59607  -179.15096
   55    54 S   HC   _H21    71     1.09692   108.01351    73.90559
   56    54 S   HC   _H22    72     1.09697   110.70907   -44.58237
   57    51 S   CM   _C10    48     1.50522   113.15462   -63.93182
   58    57 S   HC   _H12    49     1.08979   115.07777    76.72251
   59    54 S   CT   _C19    73     1.54282   111.07701  -165.79680
   60    57 S   CM   _C9_    50     1.34201   128.27365  -104.47402
   61    60 S   HC   _H11    51     1.08926   117.09601  -178.82964
   62    59 S   CT   _C20    74     1.53195   109.59937  -176.35573
   63    62 S   HC   _H23    75     1.09602   110.81364    59.65318
   64    62 S   HC   _H24    76     1.09607   110.96599   177.53145
   65    62 S   HC   _H25    77     1.09489   111.61513   -61.43857
   66    59 S   CT   _C21    78     1.53168   112.05964    61.26244
   67    66 S   HC   _H26    79     1.09468   111.39538   -64.39610
   68    66 S   HC   _H27    80     1.09619   110.77696   177.94367
   69    66 S   HC   _H28    81     1.09476   111.56915    57.21286
   70    59 S   OH   _O33    82     1.43107   108.59479   -58.81325
   71    70 S   HO   _H29    83     0.97240   107.93202  -179.72948
   72    60 S   CM   _C8_    52     1.44583   126.71007     1.87440
   73    72 S   HC   _H10    53     1.08580   117.89013     1.69050
   74    72 S   CM   _C7_    54     1.34218   122.65336  -178.75165
   75    74 S   HC   _H9_    55     1.08804   119.95702     0.31404
   76    74 S   CM   _C6_    56     1.44612   123.03014  -179.75451
   77    76 S   HC   _H8_    57     1.08728   117.34037     0.02798
   78    76 S   CM   _C5_    58     1.34115   123.11112  -179.96574
   79    78 S   HC   _H7_    59     1.08747   120.10456     0.01978
   80    78 S   CT   _C4_    60     1.49363   123.69876   180.00000
   81    80 S   HC   _H4_    61     1.09428   109.89072  -120.42505
   82    80 S   HC   _H5_    62     1.09458   112.30761     0.00000
   83    80 S   HC   _H6_    63     1.09428   109.89009   120.46295
  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   8   5   4   3
  11   6   2   1   1  10   4   7   3   8   4   7   3   8   5   4
   8   4   7   4   3  13   5   4   6   3  10   6   3   9   4   3
   2   5   3   2   1   1   1   6   3   6   3   7   3   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    51    40    41    44  
   42    43    46    40  
   41    44    45    49    50    54    42  
   44    45    49  
   43    46    47    48    51    52    53    57  
   46    47    48    51  
   45    49    50    54    55    56    59  
   49    50    54  
   47    48    51    52    53    57    58    60  
   48    51    52    53    57  
   51    52    53    57  
   50    54    55    56    59    62    66    70  
   54    55    56    59  
   52    53    57    58    60    61    72  
   53    57    58    60  
   57    58    60  
   55    56    59    62    63    64    65    66    67    68    69    70    71  
   56    59    62    66    70  
   59    62    66    70  
   58    60    61    72    73    74  
   60    61    72  
   62    63    64    65    66    67    68    69    70    71  
   61    72    73    74    75    76  
   72    73    74  
   63    64    65    66    67    68    69    70    71  
   64    65    66    70  
   65    66    70  
   66    70  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   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   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   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    57   317.000  1.510
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   60    72   380.000  1.444
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   74    76   380.000  1.444
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   78    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    49   415.000  1.382
   49    50   434.000  1.010
   49    54   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    62   268.000  1.529
   59    66   268.000  1.529
   59    70   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
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  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    51    70.00000  112.02700
   46    42    43    35.00000  117.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    57    70.00000  112.02700
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    57    58    35.00000  117.00000
   51    57    60    70.00000  124.00000
   53    51    52    33.00000  107.80000
   57    51    52    35.00000  109.50000
   57    51    53    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    72    70.00000  123.01800
   60    57    58    35.00000  120.00000
   60    72    73    35.00000  120.00000
   60    72    74    70.00000  123.01800
   72    60    61    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    70.00000  123.01800
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    70.00000  123.01800
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   80    78    79    35.00000  117.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    49    75.00000  114.40000
   44    40    41    40.00000  120.50800
   44    49    50    50.00000  121.48000
   44    49    54    50.00000  121.00000
   49    44    45   105.00000  113.92000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    59    80.00000  111.61500
   54    49    50    35.00000  112.50000
   54    59    62    58.35000  112.70000
   54    59    66    58.35000  112.70000
   54    59    70    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    37.50000  110.70000
   59    70    71    55.00000  108.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    59    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    59    62    50.00000  109.50000
   70    59    66    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    49   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    51   0.09850  1.0 1.0
   38    42    46    51   0.15250 -1.0 2.0
   38    42    46    51  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    53   0.15000  1.0 3.0
   42    46    51    57   0.31000  1.0 1.0
   42    46    51    57   0.14700 -1.0 2.0
   42    46    51    57   0.07550  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    51   0.00000  1.0 1.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    60   0.09850  1.0 1.0
   46    51    57    60   0.15250 -1.0 2.0
   46    51    57    60  -0.50650  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    57   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    57   0.15000  1.0 3.0
   51    57    60    61   7.00000 -1.0 2.0
   51    57    60    72   7.00000 -1.0 2.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   53    51    57    58   0.33100  1.0 3.0
   53    51    57    60   0.00000  1.0 1.0
   57    60    72    73  -0.18600  1.0 3.0
   57    60    72    74   0.28850  1.0 1.0
   57    60    72    74   2.61350 -1.0 2.0
   57    60    72    74   0.78400  1.0 3.0
   58    57    60    61   7.00000 -1.0 2.0
   58    57    60    72   7.00000 -1.0 2.0
   60    72    74    75   7.00000 -1.0 2.0
   60    72    74    76   7.00000 -1.0 2.0
   61    60    72    73   0.00000  1.0 1.0
   61    60    72    74  -0.18600  1.0 3.0
   72    74    76    77  -0.18600  1.0 3.0
   72    74    76    78   0.28850  1.0 1.0
   72    74    76    78   2.61350 -1.0 2.0
   72    74    76    78   0.78400  1.0 3.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   74    76    78    80   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78  -0.18600  1.0 3.0
   76    78    80    81   0.00000  1.0 1.0
   76    78    80    82   0.00000  1.0 1.0
   76    78    80    83   0.00000  1.0 1.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    80   7.00000 -1.0 2.0
   79    78    80    81   0.33100  1.0 3.0
   79    78    80    82   0.33100  1.0 3.0
   79    78    80    83   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    49    50   1.00000 -1.0 2.0
   40    44    49    54  -0.54700  1.0 1.0
   40    44    49    54   1.23000 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    56   0.00000  1.0 1.0
   44    49    54    59   0.25450  1.0 1.0
   44    49    54    59  -0.61700 -1.0 2.0
   44    49    54    59  -0.23550  1.0 3.0
   45    44    49    50   1.00000 -1.0 2.0
   45    44    49    54   1.00000 -1.0 2.0
   49    54    59    62   1.26750  1.0 1.0
   49    54    59    62  -0.00950 -1.0 2.0
   49    54    59    62   0.30600  1.0 3.0
   49    54    59    66   1.26750  1.0 1.0
   49    54    59    66  -0.00950 -1.0 2.0
   49    54    59    66   0.30600  1.0 3.0
   49    54    59    70   4.07950  1.0 1.0
   49    54    59    70  -0.26450 -1.0 2.0
   49    54    59    70  -0.12150  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    59   0.00000  1.0 1.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59    62    65   0.15000  1.0 3.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59    66    69   0.15000  1.0 3.0
   54    59    70    71  -0.11600  1.0 1.0
   54    59    70    71  -0.09450 -1.0 2.0
   54    59    70    71   0.21250  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   55    54    59    70   0.23400  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   56    54    59    66   0.15000  1.0 3.0
   56    54    59    70   0.23400  1.0 3.0
   62    59    66    67   0.15000  1.0 3.0
   62    59    66    68   0.15000  1.0 3.0
   62    59    66    69   0.15000  1.0 3.0
   62    59    70    71  -0.11600  1.0 1.0
   62    59    70    71  -0.09450 -1.0 2.0
   62    59    70    71   0.21250  1.0 3.0
   66    59    62    63   0.15000  1.0 3.0
   66    59    62    64   0.15000  1.0 3.0
   66    59    62    65   0.15000  1.0 3.0
   66    59    70    71  -0.11600  1.0 1.0
   66    59    70    71  -0.09450 -1.0 2.0
   66    59    70    71   0.21250  1.0 3.0
   70    59    62    63   0.23400  1.0 3.0
   70    59    62    64   0.23400  1.0 3.0
   70    59    62    65   0.23400  1.0 3.0
   70    59    66    67   0.23400  1.0 3.0
   70    59    66    68   0.23400  1.0 3.0
   70    59    66    69   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   51    58    57    60  15.00000 -1.0 2.0
   72    61    60    57  15.00000 -1.0 2.0
   60    73    72    74  15.00000 -1.0 2.0
   76    75    74    72  15.00000 -1.0 2.0
   74    77    76    78  15.00000 -1.0 2.0
   80    79    78    76  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   49    45    44    40  15.00000 -1.0 2.0
   50    44    49    54   1.00000 -1.0 2.0
END
