* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    155    252     463
    1     0 S   NP   _N1_     1    29.13298    98.27559   -21.48531
    2     1 S   H    _HN1     2     1.02805   106.78454  -121.11254
    3     1 S   H    _H1_     3     1.02852    63.59195   -18.69689
    4     1 S   H    _H2_     4     1.02944    46.39413   140.01424
    5     1 S   CT   _CA1     5     1.50580   139.95598    73.48167
    6     5 S   HC   _HA1     6     1.09456   104.41901   108.63715
    7     5 S   CO3  _C1_     7     1.54276   110.89732    -6.59267
    8     7 S   O2Z  _O11     8     1.25979   116.75412  -119.81601
    9     7 S   O2Z  _O12     9     1.26601   113.65895    58.89764
   10     5 S   CT   _CB1    10     1.53039   106.88330  -135.47312
   11    10 S   HC   HB11    11     1.09851   109.81989   -42.62206
   12    10 S   HC   HB12    12     1.09773   110.13200    73.95997
   13    10 S   CT   _CG1    13     1.53024   112.63796  -163.20095
   14    13 S   HC   HG11    14     1.09371   110.78675   -62.81636
   15    13 S   HC   HG12    15     1.09625   109.87249    56.60318
   16    13 S   C    _CD1    16     1.51714   111.98247   177.50566
   17    16 S   O    _OE1    17     1.22788   123.07896    11.91613
   18    16 S   N    _N2_    18     1.38688   112.04311  -168.69227
   19    18 S   H    _HN2    19     1.01640   119.24189     2.99931
   20    18 S   CT1  _CA2    20     1.46175   123.01511  -179.36573
   21    20 S   HC   _HA2    21     1.09737   108.83830    12.65166
   22    20 S   C    _C2_    22     1.53719   110.55360  -103.38676
   23    22 S   O    _O2_    23     1.23162   121.68201  -159.07909
   24    20 S   CT   _CB2    32     1.53436   111.62438   133.90331
   25    24 S   HC   HB21    33     1.09400   109.77681    64.32561
   26    24 S   HC   HB22    34     1.09551   110.33180  -178.33846
   27    22 S   N    _N3_    24     1.38172   114.56891    27.76125
   28    27 S   H    _HN3    25     1.01507   119.58199    -4.75852
   29    24 S   S    _SG2    35     1.83110   111.92797   -59.26093
   30    27 S   CT   _CA3    26     1.45301   123.09018   176.86325
   31    30 S   HC   HA31    27     1.09561   107.51520   -61.61055
   32    30 S   HC   HA32    28     1.09552   107.94060    54.76047
   33    29 S   CT   _C24    36     1.84297   100.14110   134.14248
   34    33 S   HC   _H3_    37     1.09707   104.25003    51.99298
   35    30 S   CO3  _C3_    29     1.52894   114.14915   176.43163
   36    35 S   O2Z  _O31    30     1.26425   116.04881   -10.41325
   37    35 S   O2Z  _O32    31     1.26395   114.52943   169.91693
   38    33 S   CA   _C10    38     1.52215   111.56960   167.63494
   39    33 S   C5A  _C17    51     1.49730   112.05608   -65.19932
   40    38 S   CA   _C4_    39     1.40587   119.43333  -122.63589
   41    40 S   HA   _H34    40     1.08788   120.30864     0.50783
   42    39 S   C5B  _C11    52     1.37827   134.00484   121.46846
   43    42 S   OM   _O22    53     1.33229   125.92326     0.86908
   44    40 S   CA   _C5_    41     1.39711   120.96779  -179.31844
   45    44 S   HA   _H35    42     1.08617   119.31597  -179.91153
   46    42 S   C56B _C9_    54     1.41524   108.32620  -178.23254
   47    44 S   CA   _C13    43     1.39250   119.72094     0.24945
   48    46 S   C56A _C12    55     1.39171   104.84417    -1.12082
   49    47 S   CA   _C14    44     1.39150   120.11553     0.10468
   50    47 S   OH   _O25    49     1.36710   120.48270   179.95577
   51    50 S   HO   _H47    50     0.97200   108.67465    -0.11535
   52    48 S   CA   _C7_    56     1.39413   124.09509  -179.77445
   53    52 S   HA   _H37    57     1.08390   121.50761   179.75055
   54    39 S   OA   _O23    87     1.37165   117.25280   -57.82492
   55    38 S   CA   _C6_    45     1.40636   122.10597    58.63240
   56    55 S   HA   _H36    46     1.08733   119.98430    -0.65012
   57    49 S   OH   _O26    47     1.36771   119.31596   179.73756
   58    57 S   HO   _H48    48     0.97225   108.65804  -179.13929
   59    52 S   CA   _C15    58     1.40006   116.54856    -2.27288
   60    59 S   CA   _C8_    59     1.39787   121.50093     3.34790
   61    60 S   HA   _H38    60     1.08594   120.89636   177.06488
   62    59 S   OS   _O34    64     1.37335   116.13102  -178.86374
   63    46 S   CA   _C16    61     1.40818   137.40541   179.01364
   64    62 S   CO   _C22    65     1.44198   113.30963   125.82195
   65    64 S   HC   _H43    66     1.09778   109.14553    65.77872
   66    63 S   OH   _O27    62     1.37595   121.95264     0.58383
   67    66 S   HO   _H49    63     0.97574   106.68257    -0.00000
   68    64 S   CT   _C20    67     1.53538   106.95095  -176.10358
   69    68 S   HC   _H41    68     1.09592   109.90743    52.21604
   70    68 S   CT   _C18    69     1.53162   111.48350   174.24718
   71    70 S   HC   _H39    70     1.09667   110.24262    74.44331
   72    68 S   OH   _O30    85     1.42977   109.95214   -64.35219
   73    72 S   HO   _H52    86     0.97220   108.25636   -61.69142
   74    70 S   CT   _C19    71     1.53182   111.55261   -48.26017
   75    74 S   HC   _H40    72     1.09703   109.01904   -71.42810
   76    70 S   OH   _O28    83     1.42961   109.61724  -169.71002
   77    76 S   HO   _H50    84     0.97253   108.11959    57.44748
   78    74 S   CT   _C21    73     1.53170   110.51793    49.77115
   79    78 S   HC   _H42    74     1.09831   111.03933    63.32981
   80    74 S   OH   _O29    81     1.42553   109.73881   171.75038
   81    80 S   HO   _H51    82     0.97259   108.21321   -58.78307
   82    64 S   OS   _O24    75     1.43159   111.46989   -56.29301
   83    78 S   CT   _C23    76     1.52967   111.69986  -175.85353
   84    83 S   HC   _H44    77     1.09426   111.17039    67.05031
   85    83 S   HC   _H45    78     1.09396   111.52046   -55.22799
   86    83 S   OH   _O33    79     1.42426   109.03646  -174.26742
   87    86 S   HO   _H53    80     0.97654   106.69529  -175.87635
  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
  14   6   2   1   1  12   9   8   4   8   4   7   3  10   7   8
   6   3   1   8   4   2   3   1   1   1   9   6   3   9   2  13
   6   1   1  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    55    39    42    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    49    55    56    39    42    43    46    48    54  
   38    40    55    39    42    54  
   36    37  
   37  
    0  
   40    41    44    45    47    49    55    56    57    39    42    54  
   42    43    46    48    52    63    54    40    55  
   41    44    45    47    49    55    56    50  
   44    45    47    55  
   43    46    48    52    60    63    66    54  
   46    48    63    54  
   45    47    49    55    57    50    51  
   47    49    50  
   48    52    53    59    60    61    63    66    67    54  
   49    55    56    57    58    50    51  
   52    53    59    60    63    66    62    54  
   55    56    57    58    50    51  
   51    55    57  
    0  
   53    59    60    61    63    62    64    54  
   59    60    62    54  
   59    63  
   56    57    58  
   57  
   58  
    0  
   60    61    63    66    62    64    65    68    82  
   61    63    66    67    62    64  
   63    66    62  
   64    65    68    69    70    78    82    72    63  
   66    67  
   65    68    69    70    71    74    78    79    82    83    76    72    73  
   68    69    70    78    82    72  
   67  
    0  
   69    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.337500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.442700   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   54   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700   0.039200   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   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   317.000  1.510
   33    39   295.000  1.489
   38    40   469.000  1.400
   38    55   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    49   469.000  1.400
   47    50   450.000  1.364
   49    55   469.000  1.400
   49    57   450.000  1.364
   55    56   367.000  1.080
   57    58   553.000  0.945
   50    51   553.000  0.945
   39    42   520.000  1.370
   39    54   340.000  1.360
   42    43   480.000  1.345
   42    46   380.000  1.440
   46    48   447.000  1.419
   46    63   469.000  1.404
   48    52   469.000  1.400
   48    54   425.000  1.380
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    60   469.000  1.400
   59    62   450.000  1.364
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    66   450.000  1.364
   66    67   553.000  0.945
   62    64   320.000  1.380
   64    65   340.000  1.090
   64    68   250.000  1.527
   64    82   320.000  1.380
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   320.000  1.410
   78    79   340.000  1.090
   78    82   320.000  1.410
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   320.000  1.410
   86    87   553.000  0.945
   80    81   553.000  0.945
   76    77   553.000  0.945
   72    73   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    80.00000  109.48900
   29    33    39    80.00000  109.48900
   33    38    40    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    42    55.00000  130.44200
   33    39    54    80.00000  116.10000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    63.00000  120.00000
   38    55    49    63.00000  120.00000
   38    55    56    35.00000  120.00000
   40    44    45    35.00000  120.00000
   40    44    47    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    47    49    63.00000  120.00000
   44    47    50    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    49    55    63.00000  120.00000
   47    49    57    70.00000  120.00000
   47    50    51    35.00000  113.00000
   49    55    56    35.00000  120.00000
   49    57    58    35.00000  113.00000
   55    38    40    63.00000  120.00000
   57    49    55    70.00000  120.00000
   50    47    49    70.00000  120.00000
   39    33    34    45.00000  110.47400
   39    33    38    70.00000  112.04700
   39    42    43    75.00000  125.18600
   39    42    46    80.00000  105.82900
   39    54    48   110.00000  105.28000
   42    46    48    80.00000  107.43600
   42    46    63    50.00000  134.85500
   46    42    43    70.00000  112.00000
   46    48    52    85.00000  122.70000
   46    48    54   100.00000  108.43400
   46    63    60    63.00000  120.00000
   46    63    66    70.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    59    85.00000  120.00000
   52    59    60    63.00000  120.00000
   52    59    62    70.00000  120.00000
   59    52    53    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    63    63.00000  120.00000
   59    62    64   100.00000  112.36700
   60    63    66    70.00000  120.00000
   63    46    48    85.00000  116.20000
   63    60    61    35.00000  120.00000
   63    66    67    35.00000  113.00000
   62    59    60    70.00000  120.00000
   62    64    65    35.00000  109.50000
   62    64    68    90.00000  108.56700
   62    64    82    92.60000  111.55000
   64    68    69    45.00000  108.72000
   64    68    70    75.00000  109.43000
   64    68    72    90.00000  111.58700
   64    82    78    60.00000  109.50000
   68    64    65    45.00000  112.01100
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    50.00000  109.50000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    50.00000  109.50000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    50.00000  109.50000
   74    78    83    58.35000  112.70000
   74    80    81    55.00000  108.50000
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    50.00000  109.50000
   82    64    65    35.00000  109.50000
   82    64    68    90.00000  108.56700
   82    78    79    35.00000  109.50000
   83    78    79    37.50000  110.70000
   83    78    82    50.00000  109.50000
   83    86    87    55.00000  108.50000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   80    74    75    35.00000  109.50000
   80    74    78    50.00000  109.50000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   54    39    42    70.00000  108.00000
   54    48    52    70.00000  124.10000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    42  -0.16000  1.0 1.0
   29    33    39    42  -0.03200 -1.0 2.0
   29    33    39    42   0.04500  1.0 3.0
   29    33    39    54   0.04300 -1.0 2.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    55    49   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    42    43   3.62500 -1.0 2.0
   33    39    42    46   3.62500 -1.0 2.0
   33    39    54    48   3.62500 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    54   0.00000  1.0 1.0
   38    33    39    42   0.04300 -1.0 2.0
   38    33    39    54   0.04300 -1.0 2.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    47   3.62500 -1.0 2.0
   40    38    55    49   3.62500 -1.0 2.0
   40    38    55    56   3.62500 -1.0 2.0
   40    44   -47    49   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    47   3.62500 -1.0 2.0
   44    47    49    55   3.62500 -1.0 2.0
   44    47    49    57   3.62500 -1.0 2.0
   44    47    50    51   0.84100 -1.0 2.0
   45    44    47    49   3.62500 -1.0 2.0
   45    44    47    50   3.62500 -1.0 2.0
   47    49   -55    38   3.62500 -1.0 2.0
   47    49    55    56   3.62500 -1.0 2.0
   47    49    57    58   0.84100 -1.0 2.0
   49    47    50    51   0.84100 -1.0 2.0
   55    38    40    41   3.62500 -1.0 2.0
   55    38   -40    44   3.62500 -1.0 2.0
   55    49    57    58   0.84100 -1.0 2.0
   57    49    55    38   3.62500 -1.0 2.0
   57    49    55    56   3.62500 -1.0 2.0
   50    47    49    55   3.62500 -1.0 2.0
   50    47    49    57   3.62500 -1.0 2.0
   39    33    38    40   0.04300 -1.0 2.0
   39    33    38    55   0.04300 -1.0 2.0
   39    42   -46    48   3.50000 -1.0 2.0
   39    42    46    63   3.62500 -1.0 2.0
   42    39   -54    48   3.62500 -1.0 2.0
   42    46    48    52   3.00000 -1.0 2.0
   42    46   -48    54   3.62500 -1.0 2.0
   42    46    63    60   3.62500 -1.0 2.0
   42    46    63    66   3.62500 -1.0 2.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    63   3.62500 -1.0 2.0
   46    48    52    53   3.62500 -1.0 2.0
   46    48    52    59   3.62500 -1.0 2.0
   46    48   -54    39   3.62500 -1.0 2.0
   46    63    66    67   0.84100 -1.0 2.0
   48    46    63    60   3.50000 -1.0 2.0
   48    46    63    66   3.62500 -1.0 2.0
   48    52   -59    60   3.62500 -1.0 2.0
   48    52    59    62   3.62500 -1.0 2.0
   52    48    54    39   3.62500 -1.0 2.0
   52    59    60    61   3.62500 -1.0 2.0
   52    59    60    63   3.62500 -1.0 2.0
   52    59    62    64   1.63200 -1.0 2.0
   53    52    59    60   3.62500 -1.0 2.0
   53    52    59    62   3.62500 -1.0 2.0
   59    60   -63    46   3.62500 -1.0 2.0
   59    60    63    66   3.62500 -1.0 2.0
   59    62    64    65   0.08050  1.0 3.0
   59    62    64    68  -0.32850  1.0 1.0
   59    62    64    68  -0.35800 -1.0 2.0
   59    62    64    68   0.33950  1.0 3.0
   59    62    64    82  -0.25600  1.0 1.0
   59    62    64    82  -0.40050 -1.0 2.0
   59    62    64    82   0.34700  1.0 3.0
   60    59    62    64   1.63200 -1.0 2.0
   60    63    66    67   0.84100 -1.0 2.0
   61    60    63    46   3.62500 -1.0 2.0
   61    60    63    66   3.62500 -1.0 2.0
   63    46   -48    52   3.00000 -1.0 2.0
   63    46    48    54   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    63   3.62500 -1.0 2.0
   62    64    68    69   0.23400  1.0 3.0
   62    64    68    70   0.62750  1.0 1.0
   62    64    68    70  -0.30950 -1.0 2.0
   62    64    68    70   0.27300  1.0 3.0
   62    64    68    72   3.69350  1.0 1.0
   62    64    68    72  -1.82950 -1.0 2.0
   62    64    82    78  -0.81800  1.0 1.0
   64    68    70    71   0.15000  1.0 3.0
   64    68    70    74   3.97050  1.0 1.0
   64    68    70    76   0.86500  1.0 1.0
   64    68    70    76  -0.17500 -1.0 2.0
   64    68    70    76   0.20800  1.0 3.0
   64    68    72    73  -0.11600  1.0 1.0
   64    68    72    73  -0.09450 -1.0 2.0
   64    68    72    73   0.21250  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    72   0.23400  1.0 3.0
   65    64    82    78   0.37050  1.0 3.0
   68    64    82    78   0.06250  1.0 1.0
   68    64    82    78  -0.01100 -1.0 2.0
   68    64    82    78   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.56750  1.0 1.0
   68    70   -74    78  -0.07550 -1.0 2.0
   68    70   -74    78   0.20000  1.0 3.0
   68    70    74    80   0.86500  1.0 1.0
   68    70    74    80  -0.17500 -1.0 2.0
   68    70    74    80   0.20800  1.0 3.0
   68    70    76    77  -0.11600  1.0 1.0
   68    70    76    77  -0.09450 -1.0 2.0
   68    70    76    77   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81  -0.11600  1.0 1.0
   70    74    80    81  -0.09450 -1.0 2.0
   70    74    80    81   0.21250  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    78   -82    64   0.06250  1.0 1.0
   74    78   -82    64  -0.01100 -1.0 2.0
   74    78   -82    64   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86   0.86500  1.0 1.0
   74    78    83    86  -0.17500 -1.0 2.0
   74    78    83    86   0.20800  1.0 3.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81  -0.11600  1.0 1.0
   78    74    80    81  -0.09450 -1.0 2.0
   78    74    80    81   0.21250  1.0 3.0
   78    83    86    87  -0.11600  1.0 1.0
   78    83    86    87  -0.09450 -1.0 2.0
   78    83    86    87   0.21250  1.0 3.0
   79    78    82    64   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    64    68    69   0.23400  1.0 3.0
   82    64   -68    70   0.62750  1.0 1.0
   82    64   -68    70  -0.30950 -1.0 2.0
   82    64   -68    70   0.27300  1.0 3.0
   82    64    68    72   3.69350  1.0 1.0
   82    64    68    72  -1.82950 -1.0 2.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   3.69350  1.0 1.0
   82    78    83    86  -1.82950 -1.0 2.0
   83    78    82    64   0.06250  1.0 1.0
   83    78    82    64  -0.01100 -1.0 2.0
   83    78    82    64   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   3.69350  1.0 1.0
   80    74    78    82  -1.82950 -1.0 2.0
   80    74    78    83   0.86500  1.0 1.0
   80    74    78    83  -0.17500 -1.0 2.0
   80    74    78    83   0.20800  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   0.86500  1.0 1.0
   76    70    74    78  -0.17500 -1.0 2.0
   76    70    74    78   0.20800  1.0 3.0
   76    70    74    80   3.75450  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   3.75450  1.0 1.0
   54    39    42    43   3.62500 -1.0 2.0
   54    39   -42    46   3.62500 -1.0 2.0
   54    48    52    53   3.62500 -1.0 2.0
   54    48    52    59   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   40    55    38    33   4.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   49    50    47    44   4.00000 -1.0 2.0
   55    57    49    47   4.00000 -1.0 2.0
   49    56    55    38   1.10000 -1.0 2.0
   42    54    39    33   4.00000 -1.0 2.0
   46    43    42    39   4.00000 -1.0 2.0
   48    63    46    42   4.00000 -1.0 2.0
   52    54    48    46   4.00000 -1.0 2.0
   59    53    52    48   1.10000 -1.0 2.0
   60    62    59    52   4.00000 -1.0 2.0
   63    61    60    59   1.10000 -1.0 2.0
   60    66    63    46   4.00000 -1.0 2.0
END
