* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    145    230     432
    1     0 S   NP   _N1_     1    28.86533    93.33207   -21.65781
    2     1 S   H    _HN1     2     1.02855    97.51491     8.65413
    3     1 S   H    _H1_     3     1.02972    26.91978   122.33424
    4     1 S   H    _H2_     4     1.02789    87.98258   -99.49573
    5     1 S   CT   _CA1     5     1.50557   135.92189   140.17821
    6     5 S   HC   _HA1     6     1.09679   104.63508    55.22354
    7     5 S   CO3  _C1_     7     1.54467   110.85852   -60.61762
    8     7 S   O2Z  _O11     8     1.26088   116.76906  -121.64415
    9     7 S   O2Z  _O12     9     1.26567   113.70618    57.37288
   10     5 S   CT   _CB1    10     1.53061   106.99084   171.37295
   11    10 S   HC   HB11    11     1.09837   110.03170   -41.71229
   12    10 S   HC   HB12    12     1.09792   110.04504    74.88835
   13    10 S   CT   _CG1    13     1.53083   112.49550  -162.37446
   14    13 S   HC   HG11    14     1.09481   110.90388   -54.49903
   15    13 S   HC   HG12    15     1.09638   109.98221    64.51533
   16    13 S   C    _CD1    16     1.51762   111.89512  -175.43747
   17    16 S   O    _OE1    17     1.22752   123.14424   -10.27435
   18    16 S   N    _N2_    18     1.38574   111.81754   170.09835
   19    18 S   H    _HN2    19     1.01595   119.15402     1.92539
   20    18 S   CT1  _CA2    20     1.46233   123.21664  -176.77439
   21    20 S   HC   _HA2    21     1.09720   109.43743    -9.19623
   22    20 S   C    _C2_    22     1.53372   108.69725  -125.15920
   23    22 S   O    _O2_    23     1.23026   122.13468  -146.99574
   24    20 S   CT   _CB2    32     1.53401   111.10494   112.59811
   25    24 S   HC   HB21    33     1.09458   109.35744    59.00035
   26    24 S   HC   HB22    34     1.09518   110.69217   177.10227
   27    22 S   N    _N3_    24     1.38475   113.45606    40.39731
   28    27 S   H    _HN3    25     1.01523   118.90684    -0.74046
   29    24 S   S    _SG2    35     1.83062   111.59605   -63.38637
   30    27 S   CT   _CA3    26     1.45455   123.52392   175.17704
   31    30 S   HC   HA31    27     1.09517   109.34152    22.38815
   32    30 S   HC   HA32    28     1.09498   107.09723   139.39769
   33    29 S   CT   _C18    36     1.83944    99.96716   148.90415
   34    33 S   HC   _H5_    37     1.09729   105.52619    51.18000
   35    30 S   CO3  _C3_    29     1.52914   113.03451  -101.16642
   36    35 S   O2Z  _O31    30     1.26407   115.36608   -45.51852
   37    35 S   O2Z  _O32    31     1.26349   115.01018   135.40199
   38    33 S   CA   _C19    38     1.52074   112.53870   -68.03178
   39    33 S   CT   _C17    51     1.53506   108.90176   167.46710
   40    39 S   HC   _H11    52     1.09712   112.10992    72.03421
   41    39 S   HC   _H12    53     1.09760   111.71503   -47.47912
   42    38 S   CA   _C20    39     1.40548   119.14756   127.72471
   43    42 S   HA   _H13    40     1.08776   120.34140    -0.18345
   44    39 S   CO4  _C16    54     1.51124   110.42611  -165.23046
   45    44 S   O    _O38    55     1.22457   123.38777    65.37410
   46    42 S   CA   _C21    41     1.39599   120.93031   179.23895
   47    46 S   HA   _H14    42     1.08610   119.38244  -179.46845
   48    44 S   OS   _O37    56     1.36050   110.29832  -113.51129
   49    46 S   CA   _C22    43     1.39223   119.68321     0.21850
   50    48 S   CT   _C14    57     1.44957   117.55545   178.16165
   51    50 S   HC   _H4_    58     1.09892   109.11248    33.45186
   52    49 S   CA   _C23    44     1.39179   120.18971    -0.21122
   53    49 S   OH   _O40    49     1.36735   120.37091   179.97202
   54    53 S   HO   _H17    50     0.97206   108.46449     7.72680
   55    50 S   CO3  _C15    59     1.54441   107.64672   145.32457
   56    55 S   O2Z  _O36    60     1.26334   116.20650   145.85510
   57    55 S   O2Z  _O35    61     1.26646   115.10569   -37.03138
   58    50 S   CT   _C13    62     1.53232   109.25393   -86.02071
   59    58 S   HC   _H3_    63     1.09857   109.23668    49.68817
   60    38 S   CA   _C24    45     1.40617   122.24958   -53.52424
   61    60 S   HA   _H15    46     1.08727   120.18205     0.17359
   62    52 S   OH   _O39    47     1.36727   119.07011   179.67374
   63    62 S   HO   _H16    48     0.97577   109.40472  -179.64502
   64    58 S   CO3  _C25    64     1.54341   117.69498   -68.49264
   65    64 S   O2Z  _O42    65     1.26202   116.50895    12.74003
   66    64 S   O2Z  _O41    66     1.26725   114.70095  -169.52886
   67    58 S   OS   _O34    67     1.44876   109.51434   169.01018
   68    67 S   CO4  _C12    68     1.35727   117.75607   -86.47853
   69    68 S   O    _O33    69     1.22028   127.35732    -0.17583
   70    68 S   CM   _C11    70     1.48005   107.31561   179.74821
   71    70 S   HC   _H10    71     1.08434   117.56488    -0.71107
   72    70 S   CM   _C10    72     1.34071   119.64425   180.00000
   73    72 S   HC   _H9_    73     1.08793   120.09878     0.78957
   74    72 S   CA   _C9_    74     1.47286   124.46628   179.50981
   75    74 S   CA   _C4_    75     1.40384   122.70760    30.19367
   76    75 S   HA   _H6_    76     1.08747   121.01191    -0.76566
   77    75 S   CA   _C5_    77     1.39817   120.78517   178.66616
   78    77 S   HA   _H7_    78     1.08632   119.29311   179.79826
   79    77 S   CA   _C6_    79     1.39242   119.77934    -0.49968
   80    79 S   CA   _C7_    80     1.39148   120.06577    -0.22728
   81    79 S   OH   _O44    85     1.36681   120.52325  -180.00000
   82    81 S   HO   _H19    86     0.97206   108.75993    -0.16786
   83    74 S   CA   _C8_    81     1.40387   118.53999  -152.35674
   84    83 S   HA   _H8_    82     1.08796   120.00918     1.61143
   85    80 S   OH   _O43    83     1.36761   119.26950  -179.69804
   86    85 S   HO   _H18    84     0.97200   108.80234  -179.97202
  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   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3   9
   7  11   7   6   3   1   6   2   1   8   5   3   1   1   1   4
   2   1   5   6   3   6   3   8   3   9   8   4   7   3   7   6
   3   1   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    60    61    62    39    40    41    44  
   40    41    44    45    48    50    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    60    61    53  
   46    47    49    60  
   45    48    50    51    55    58  
   48    50  
   47    49    52    60    62    53    54  
   49    52    53  
   50    51    55    56    57    58    59    64    67  
   52    60    61    62    63    53    54  
   51    55    56    57    58    59    64    65    66    67    68  
   55    56    57    58    59    64    67  
   60    61    62    63    53    54  
   54    60    62  
    0  
   56    57    58    59    64    67  
   57    58  
   58  
   59    64    65    66    67    68    69    70  
   64    65    66    67    68  
   61    62    63  
   62  
   63  
    0  
   65    66    67    68  
   66    67  
   67  
   68    69    70    71    72  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75    83  
   72    73    74  
   73    74    75    76    77    80    83    84  
   74    75    83  
   75    76    77    78    79    80    83    84    85  
   76    77    78    79    80    83    84    81  
   77    78    79    83  
   78    79    80    83    85    81    82  
   79    80    81  
   80    83    84    85    86    81    82  
   83    84    85    86    81    82  
   82    83    85  
    0  
   84    85    86  
   85  
   86  
    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   0.222500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   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   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    60   469.000  1.400
   52    62   450.000  1.364
   60    61   367.000  1.080
   62    63   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   317.000  1.522
   50    58   268.000  1.529
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   340.000  1.090
   58    64   317.000  1.522
   58    67   320.000  1.410
   64    65   656.000  1.250
   64    66   656.000  1.250
   67    68   214.000  1.327
   68    69   570.000  1.229
   68    70   320.000  1.462
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   340.000  1.080
   72    74   320.000  1.460
   74    75   469.000  1.400
   74    83   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    83   469.000  1.400
   80    85   450.000  1.364
   83    84   367.000  1.080
   85    86   553.000  0.945
   81    82   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    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    52    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    60    63.00000  120.00000
   49    52    62    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    60    61    35.00000  120.00000
   52    62    63    35.00000  113.00000
   60    38    42    63.00000  120.00000
   62    52    60    70.00000  120.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    85.00000  109.63000
   48    50    58    50.00000  109.50000
   50    55    56    70.00000  117.00000
   50    55    57    70.00000  117.00000
   50    58    59    37.50000  110.70000
   50    58    64    70.00000  109.69300
   50    58    67    50.00000  109.50000
   55    50    51    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    50    51    37.50000  110.70000
   58    50    55    70.00000  109.69300
   58    64    65    70.00000  117.00000
   58    64    66    70.00000  117.00000
   58    67    68    83.00000  116.90000
   64    58    59    35.00000  109.50000
   66    64    65    80.00000  126.00000
   67    58    59    35.00000  109.50000
   67    58    64    85.00000  109.63000
   67    68    69    83.00000  123.40000
   67    68    70    90.00000  111.29400
   68    70    71    40.00000  117.72500
   68    70    72    65.00000  118.96000
   70    68    69    80.00000  123.72100
   70    72    73    35.00000  120.00000
   70    72    74    60.00000  123.20500
   72    70    71    35.00000  120.00000
   72    74    75    60.00000  120.93500
   72    74    83    60.00000  120.93500
   74    72    73    40.00000  117.26300
   74    75    76    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    83    80    63.00000  120.00000
   74    83    84    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    81    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    83    63.00000  120.00000
   79    80    85    70.00000  120.00000
   79    81    82    35.00000  113.00000
   80    83    84    35.00000  120.00000
   80    85    86    35.00000  113.00000
   83    74    75    63.00000  120.00000
   85    80    83    70.00000  120.00000
   81    79    80    70.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    52   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    60    52   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    60   3.62500 -1.0 2.0
   46    49    52    62   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -60    38   3.62500 -1.0 2.0
   49    52    60    61   3.62500 -1.0 2.0
   49    52    62    63   0.84100 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   60    52    62    63   0.84100 -1.0 2.0
   62    52    60    38   3.62500 -1.0 2.0
   62    52    60    61   3.62500 -1.0 2.0
   53    49    52    60   3.62500 -1.0 2.0
   53    49    52    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -1.80650  1.0 1.0
   44    48    50    55   0.63900 -1.0 2.0
   44    48    50    55   0.03650  1.0 3.0
   44    48    50    58  -0.25900  1.0 1.0
   44    48    50    58  -0.47000 -1.0 2.0
   44    48    50    58   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.30150 -1.0 2.0
   48    50    55    57   0.30150 -1.0 2.0
   48    50    58    59   0.23400  1.0 3.0
   48    50    58    64  -3.35100  1.0 1.0
   48    50    58    64  -0.37050 -1.0 2.0
   48    50    58    64   0.22400  1.0 3.0
   48    50    58    67   1.11900  1.0 1.0
   48    50    58    67  -1.16350 -1.0 2.0
   48    50    58    67  -0.34150  1.0 3.0
   50    58    64    65   0.41150 -1.0 2.0
   50    58    64    66   0.41150 -1.0 2.0
   50    58    67    68  -0.25900  1.0 1.0
   50    58    67    68  -0.47000 -1.0 2.0
   50    58    67    68   0.11750  1.0 3.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    64  -0.11250  1.0 3.0
   51    50    58    67   0.23400  1.0 3.0
   55    50    58    59  -0.11250  1.0 3.0
   55    50    58    64  -0.30950  1.0 1.0
   55    50    58    64   1.11150 -1.0 2.0
   55    50    58    64   0.40350  1.0 3.0
   55    50    58    67  -3.35100  1.0 1.0
   55    50    58    67  -0.37050 -1.0 2.0
   55    50    58    67   0.22400  1.0 3.0
   58    50    55    56   0.41150 -1.0 2.0
   58    50    55    57   0.41150 -1.0 2.0
   58    67    68    69   3.00000 -1.0 2.0
   58    67    68    70   2.00000 -1.0 2.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    67    68   0.08050  1.0 3.0
   64    58    67    68  -1.80650  1.0 1.0
   64    58    67    68   0.63900 -1.0 2.0
   64    58    67    68   0.03650  1.0 3.0
   67    58    64    65   0.30150 -1.0 2.0
   67    58    64    66   0.30150 -1.0 2.0
   67    68    70    71   1.63100 -1.0 2.0
   67    68    70    72  -0.56150  1.0 1.0
   67    68    70    72   2.19150 -1.0 2.0
   68    70    72    73   7.00000 -1.0 2.0
   68    70    72    74   7.00000 -1.0 2.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   1.00000 -1.0 2.0
   70    72    74    75   0.15800  1.0 1.0
   70    72    74    75   1.85350 -1.0 2.0
   70    72    74    75  -0.48700  1.0 3.0
   70    72    74    83   0.15800  1.0 1.0
   70    72    74    83   1.85350 -1.0 2.0
   70    72    74    83  -0.48700  1.0 3.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    74   7.00000 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74    75    77   3.62500 -1.0 2.0
   72    74    83    80   3.62500 -1.0 2.0
   72    74    83    84   3.62500 -1.0 2.0
   73    72    74    75   0.56550  1.0 3.0
   73    72    74    83   0.56550  1.0 3.0
   74    75    77    78   3.62500 -1.0 2.0
   74    75    77    79   3.62500 -1.0 2.0
   75    74    83    80   3.62500 -1.0 2.0
   75    74    83    84   3.62500 -1.0 2.0
   75    77   -79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    80    83   3.62500 -1.0 2.0
   77    79    80    85   3.62500 -1.0 2.0
   77    79    81    82   0.84100 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    80   -83    74   3.62500 -1.0 2.0
   79    80    83    84   3.62500 -1.0 2.0
   79    80    85    86   0.84100 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   83    74    75    76   3.62500 -1.0 2.0
   83    74   -75    77   3.62500 -1.0 2.0
   83    80    85    86   0.84100 -1.0 2.0
   85    80    83    74   3.62500 -1.0 2.0
   85    80    83    84   3.62500 -1.0 2.0
   81    79    80    83   3.62500 -1.0 2.0
   81    79    80    85   3.62500 -1.0 2.0
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
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   60    62    52    49   4.00000 -1.0 2.0
   52    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   56    50    55    57  10.50000 -1.0 2.0
   65    58    64    66  10.50000 -1.0 2.0
   67    70    68    69  10.50000 -1.0 2.0
   68    71    70    72  15.00000 -1.0 2.0
   74    73    72    70  15.00000 -1.0 2.0
   75    83    74    72   4.00000 -1.0 2.0
   77    76    75    74   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    81    79    77   4.00000 -1.0 2.0
   83    85    80    79   4.00000 -1.0 2.0
   80    84    83    74   1.10000 -1.0 2.0
END
