* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    158    260     444
    1     0 S   NP   _N1_     1    28.13357    96.56484   -22.88738
    2     1 S   H    _HN1     2     1.02776   102.08950  -124.51916
    3     1 S   H    _H1_     3     1.02959    81.41269   -17.49009
    4     1 S   H    _H2_     4     1.02838    30.19158   130.61338
    5     1 S   CT   _CA1     5     1.50104   136.63724    93.19881
    6     5 S   HC   _HA1     6     1.09584   105.22027    78.20163
    7     5 S   CO3  _C1_     7     1.53738   112.38386   -41.92550
    8     7 S   O2Z  _O11     8     1.26348   115.00064   -44.87768
    9     7 S   O2Z  _O12     9     1.26229   114.86119   134.24040
   10     5 S   CT   _CB1    10     1.53085   107.43682  -163.99471
   11    10 S   HC   HB11    11     1.09824   109.21266   -51.81008
   12    10 S   HC   HB12    12     1.09814   110.48474    64.71099
   13    10 S   CT   _CG1    13     1.52975   112.67319  -172.94948
   14    13 S   HC   HG11    14     1.09600   110.43878   -65.91085
   15    13 S   HC   HG12    15     1.09675   109.97910    53.26480
   16    13 S   C    _CD1    16     1.51838   112.35168   173.61672
   17    16 S   O    _OE1    17     1.22717   123.47899     0.22381
   18    16 S   N    _N2_    18     1.38473   111.55859  -179.58035
   19    18 S   H    _HN2    19     1.01512   118.87145     2.84606
   20    18 S   CT1  _CA2    20     1.45905   123.14698   177.43036
   21    20 S   HC   _HA2    21     1.09677   109.22397    25.71149
   22    20 S   C    _C2_    22     1.53218   106.94589   -91.37625
   23    22 S   O    _O2_    23     1.23041   123.20592   -13.71595
   24    20 S   CT   _CB2    32     1.53223   111.70192   148.99991
   25    24 S   HC   HB21    33     1.09319   109.65092    61.83396
   26    24 S   HC   HB22    34     1.09519   110.68637   179.69099
   27    22 S   N    _N3_    24     1.38593   113.03944   169.02495
   28    27 S   H    _HN3    25     1.01505   120.21701    -3.05358
   29    24 S   S    _SG2    35     1.82170   112.32481   -59.58876
   30    27 S   CT   _CA3    26     1.45445   121.75769   174.04886
   31    30 S   HC   HA31    27     1.09560   108.28041    49.82888
   32    30 S   HC   HA32    28     1.09463   107.66408   166.79983
   33    29 S   C3T  _C22    36     1.74541   101.42216   172.90256
   34    33 S   HC   _H5_    37     1.08628   113.44946    31.69323
   35    30 S   CO3  _C3_    29     1.53036   112.51604   -72.67423
   36    35 S   O2Z  _O31    30     1.26344   115.34313   -56.94559
   37    35 S   O2Z  _O32    31     1.26400   115.19823   121.99716
   38    33 S   C3T  _C21    38     1.49947   118.42527   171.49107
   39    38 S   HC   _H20    39     1.08389   118.79691     4.75230
   40    38 S   HC   _H21    40     1.08447   117.62784  -138.27727
   41    33 S   C3T  _C20    41     1.52112   123.18396  -117.34174
   42    41 S   HC   _H4_    42     1.08793   117.79160   151.85409
   43    41 S   NE   _N6_    43     1.48314   124.42204     4.39169
   44    43 S   CA   _C6_    44     1.43290   124.20335    63.14981
   45    44 S   CA   _C5_    45     1.41666   117.00397  -159.89593
   46    45 S   CA   _C4_    46     1.39476   121.62050   174.23932
   47    46 S   HA   _H6_    47     1.08672   121.62628  -178.98529
   48    45 S   CO4  _C18    73     1.48854   120.77325    -6.35959
   49    48 S   O    _O33    74     1.22498   120.47973   173.46880
   50    46 S   CA   _C9_    48     1.38599   119.60818     1.13004
   51    50 S   F    F1__    49     1.34197   117.57195   179.82086
   52    48 S   CM   _C17    75     1.48508   117.54683    -6.83894
   53    50 S   CA   _C8_    50     1.40142   122.19754     2.29942
   54    43 S   CM   _C16    76     1.38451   116.27832  -112.65164
   55    54 S   HC   _H18    77     1.08668   112.70559   -15.88365
   56    52 S   C    _C19    78     1.47930   125.95753  -171.14951
   57    56 S   O    _O34    79     1.22143   125.33375  -166.56269
   58    44 S   CA   _C7_    51     1.42298   125.99490    19.67694
   59    58 S   Cl   Cl1_    52     1.74452   121.20985     9.08078
   60    53 S   NE   _N4_    53     1.38456   120.61848   179.62991
   61    56 S   OH   _O35    80     1.34945   111.55287    14.64849
   62    61 S   HO   _H19    81     0.98016   110.76541   179.91153
   63    60 S   CT   _C10    54     1.46168   122.03951    46.94601
   64    63 S   HC   _H7_    55     1.09252   112.55268    50.01090
   65    63 S   HC   _H8_    56     1.09602   110.66521   -72.00296
   66    63 S   CT   _C11    57     1.53570   102.18417   171.91891
   67    66 S   HC   _H3_    58     1.09425   111.92729   157.13761
   68    66 S   C3T  _C12    59     1.51132   102.32943    34.42369
   69    66 S   NP   _N5_    69     1.49170   108.16468   -85.80911
   70    69 S   H    _H15    70     1.03185   111.88299   -60.15056
   71    69 S   H    _H16    71     1.02895   112.39255  -179.44857
   72    69 S   H    _H17    72     1.02870   111.72436    59.75236
   73    68 S   C3T  _C14    60     1.51163   121.43547  -170.03980
   74    73 S   HC   _H11    61     1.08383   118.43333   144.26243
   75    73 S   HC   _H12    62     1.08344   119.00142    -1.61882
   76    60 S   CT   _C13    66     1.46565   121.18441  -102.10958
   77    76 S   HC   _H9_    67     1.09606   110.47220    55.56703
   78    76 S   HC   _H10    68     1.09272   112.43331   -66.84041
   79    68 S   C3T  _C15    63     1.51224   119.78540   119.63522
   80    79 S   HC   _H13    64     1.08373   118.73720     3.93522
   81    79 S   HC   _H14    65     1.08385   118.69994  -141.80255
  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
   9   6   2   1   1   7   4   3   8   3  11  13  12   9   4   9
   3   7   3   6  11   5   1   3   2   4   1  12   1   1  14   6
   5  15   8  13   6   2   1   1   8   5   4   5   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    54  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43    44    54  
   40    41    42    43  
   41    42    43  
   42    43    44    45    58    52    54    55  
   43    44    54  
   44    45    46    53    58    59    48    52    54    55    56  
   45    46    47    50    53    58    59    60    48    49    52    54    55  
   46    47    50    51    53    58    59    48    49    52    54    56  
   47    50    51    53    58    60    48    49    52  
   50    51    53    48  
   49    52    54    55    56    57    61    50    58  
   52    54    56  
   51    53    58    59    60    63    76  
   53    58    60  
   54    55    56    57    61    62  
   58    59    60    63    64    65    66    68    76    77    78  
   55    56    57    61    58  
   56  
   57    61    62  
   61    62  
   59    60    63    76  
   60  
   63    64    65    66    67    68    73    79    76    77    78    69  
   62  
    0  
   64    65    66    67    68    73    79    76    77    78    69    70    71    72  
   65    66    67    68    76    69  
   66    67    68    76    69  
   67    68    73    74    75    79    80    81    76    77    78    69    70    71    72  
   68    73    79    76    69    70    71    72  
   73    74    75    79    80    81    76    77    78    69    70    71    72  
   70    71    72    73    76    79  
   71    72  
   72  
    0  
   74    75    79    80    81    76    77    78  
   75    79    80    81    76  
   79    80    81    76  
   77    78    79    80    81  
   78    79  
   79  
   80    81  
   81  
    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  -0.175000   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  -0.052500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.340500   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   58   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   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  1.088
   33    38   260.000  1.509
   33    41   260.000  1.509
   38    39   340.000  1.088
   38    40   340.000  1.088
   38    41   260.000  1.509
   41    42   340.000  1.088
   41    43   382.000  1.448
   43    44   481.000  1.340
   43    54   425.000  1.378
   44    45   469.000  1.400
   44    58   469.000  1.400
   45    46   469.000  1.400
   45    48   310.000  1.470
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   420.000  1.354
   50    53   469.000  1.400
   53    58   469.000  1.400
   53    60   481.000  1.340
   58    59   300.000  1.725
   60    63   382.000  1.448
   60    76   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   275.000  1.510
   66    69   367.000  1.471
   68    73   260.000  1.509
   68    79   260.000  1.509
   68    76   275.000  1.510
   73    74   340.000  1.088
   73    75   340.000  1.088
   73    79   260.000  1.509
   79    80   340.000  1.088
   79    81   340.000  1.088
   76    77   340.000  1.090
   76    78   340.000  1.090
   69    70   434.000  1.010
   69    71   434.000  1.010
   69    72   434.000  1.010
   48    49   570.000  1.229
   48    52   320.000  1.462
   52    54   549.000  1.340
   52    56   410.000  1.444
   54    55   340.000  1.080
   56    57   570.000  1.229
   56    61   450.000  1.364
   61    62   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  117.20000
   33    38    40    37.50000  117.20000
   33    38    41    10.00000   60.00500
   33    41    38    10.00000   60.00500
   33    41    42    37.50000  117.20000
   33    41    43    70.00000  118.23000
   38    33    34    37.50000  117.20000
   38    41    42    37.50000  117.20000
   38    41    43    70.00000  118.23000
   40    38    39    35.00000  114.30000
   41    33    34    37.50000  117.20000
   41    33    38    10.00000   60.00500
   41    38    39    37.50000  117.20000
   41    38    40    37.50000  117.20000
   41    43    44    50.00000  120.00000
   41    43    54    50.00000  121.00000
   43    41    42    35.00000  109.50000
   43    44    45    70.00000  120.10000
   43    44    58    70.00000  120.10000
   43    54    52    70.00000  124.03900
   43    54    55    50.00000  112.30800
   44    45    46    63.00000  120.00000
   44    45    48    60.00000  119.52600
   44    58    53    63.00000  120.00000
   44    58    59    75.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    52    65.00000  117.02400
   46    50    51    80.00000  120.00000
   46    50    53    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    58    63.00000  120.00000
   50    53    60    70.00000  120.10000
   53    50    51    80.00000  120.00000
   53    58    59    75.00000  120.00000
   53    60    63    50.00000  120.00000
   53    60    76    50.00000  120.00000
   58    44    45    63.00000  120.00000
   60    53    58    70.00000  120.10000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    80.00000  111.61500
   60    76    68    80.00000  111.61500
   60    76    77    35.00000  109.50000
   60    76    78    35.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    70.00000  112.37300
   63    66    69    80.00000  111.20000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    73    60.00000  120.94000
   66    68    79    60.00000  120.94000
   66    68    76    58.35000  112.70000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   68    66    67    45.00000  109.38400
   68    73    74    37.50000  117.20000
   68    73    75    37.50000  117.20000
   68    73    79    10.00000   60.00500
   68    79    73    10.00000   60.00500
   68    79    80    37.50000  117.20000
   68    79    81    37.50000  117.20000
   68    76    77    45.00000  109.38400
   68    76    78    45.00000  109.38400
   73    79    80    37.50000  117.20000
   73    79    81    37.50000  117.20000
   75    73    74    35.00000  114.30000
   79    68    73    10.00000   60.00500
   79    73    74    37.50000  117.20000
   79    73    75    37.50000  117.20000
   81    79    80    35.00000  114.30000
   76    60    63    50.00000  115.00000
   76    68    73    60.00000  120.94000
   76    68    79    60.00000  120.94000
   78    76    77    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    80.00000  111.20000
   71    69    70    35.00000  109.50000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   48    45    46    60.00000  119.52600
   48    52    54    65.00000  118.96000
   48    52    56    55.00000  123.68000
   52    48    49    80.00000  123.72100
   52    54    55    35.00000  120.00000
   52    56    57    80.00000  125.30000
   52    56    61    90.00000  111.55000
   54    43    44    75.00000  121.78000
   56    52    54    70.00000  118.70000
   56    61    62    35.00000  113.00000
   61    56    57   100.00000  123.32000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33   -38    41   0.44750  1.0 1.0
   29    33   -38    41  -0.17800 -1.0 2.0
   29    33   -38    41   0.20200  1.0 3.0
   29    33   -41    38   0.44750  1.0 1.0
   29    33   -41    38  -0.17800 -1.0 2.0
   29    33   -41    38   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   33    38   -41    42   0.15000  1.0 3.0
   33    38   -41    43   1.26750  1.0 1.0
   33    38   -41    43  -0.00950 -1.0 2.0
   33    38   -41    43   0.30600  1.0 3.0
   33    41    43    44  -0.12500  1.0 1.0
   33    41    43    44  -0.12500 -1.0 2.0
   33    41    43    44   0.25000  1.0 3.0
   33    41    43    54   0.25450  1.0 1.0
   33    41    43    54  -0.61700 -1.0 2.0
   33    41    43    54  -0.23550  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33   -38    41   0.15000  1.0 3.0
   34    33   -41    38   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.22950  1.0 3.0
   38    33   -41    42   0.15000  1.0 3.0
   38    33   -41    43   1.26750  1.0 1.0
   38    33   -41    43  -0.00950 -1.0 2.0
   38    33   -41    43   0.30600  1.0 3.0
   38    41    43    44  -0.12500  1.0 1.0
   38    41    43    44  -0.12500 -1.0 2.0
   38    41    43    44   0.25000  1.0 3.0
   38    41    43    54   0.25450  1.0 1.0
   38    41    43    54  -0.61700 -1.0 2.0
   38    41    43    54  -0.23550  1.0 3.0
   39    38   -41    33   0.15000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.22950  1.0 3.0
   40    38   -41    33   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.22950  1.0 3.0
   41    33   -38    39   0.15000  1.0 3.0
   41    33   -38    40   0.15000  1.0 3.0
   41    43    44    45  -1.00000  1.0 1.0
   41    43    44    45   1.25000 -1.0 2.0
   41    43    44    58  -1.00000  1.0 1.0
   41    43    44    58   1.25000 -1.0 2.0
   41    43    54    52  -0.54700  1.0 1.0
   41    43    54    52   1.23000 -1.0 2.0
   41    43    54    55   0.00000  1.0 1.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    54   0.00000  1.0 1.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    48   3.62500 -1.0 2.0
   43    44    58    53   3.62500 -1.0 2.0
   43    44    58    59   3.62500 -1.0 2.0
   44    43    54    52  -0.54500  1.0 1.0
   44    43    54    52   1.14150 -1.0 2.0
   44    43    54    55   0.00000  1.0 1.0
   44    45    46    47   3.62500 -1.0 2.0
   44    45    46    50   3.62500 -1.0 2.0
   44    45    48    49   1.05000 -1.0 2.0
   44    45   -48    52  -0.11500  1.0 1.0
   44    45   -48    52   1.10450 -1.0 2.0
   44    45   -48    52  -0.48050  1.0 3.0
   45    44    58    53   3.62500 -1.0 2.0
   45    44    58    59   3.62500 -1.0 2.0
   45    46    50    51   3.62500 -1.0 2.0
   45    46   -50    53   3.62500 -1.0 2.0
   45    48    52    54  -1.65800  1.0 1.0
   45    48    52    54   0.77650 -1.0 2.0
   45    48    52    56   1.50000 -1.0 2.0
   46    45    48    49   1.05000 -1.0 2.0
   46    45    48    52  -0.11500  1.0 1.0
   46    45    48    52   1.10450 -1.0 2.0
   46    45    48    52  -0.48050  1.0 3.0
   46    50    53    58   3.62500 -1.0 2.0
   46    50    53    60   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   50    53   -58    44   3.62500 -1.0 2.0
   50    53    58    59   3.62500 -1.0 2.0
   50    53    60    63  -1.00000  1.0 1.0
   50    53    60    63   1.25000 -1.0 2.0
   50    53    60    76  -1.00000  1.0 1.0
   50    53    60    76   1.25000 -1.0 2.0
   51    50    53    58   3.62500 -1.0 2.0
   51    50    53    60   3.62500 -1.0 2.0
   53    60    63    64   0.00000  1.0 1.0
   53    60    63    65   0.00000  1.0 1.0
   53    60    63    66  -0.12500  1.0 1.0
   53    60    63    66  -0.12500 -1.0 2.0
   53    60    63    66   0.25000  1.0 3.0
   53    60    76    68  -0.12500  1.0 1.0
   53    60    76    68  -0.12500 -1.0 2.0
   53    60    76    68   0.25000  1.0 3.0
   53    60    76    77   0.00000  1.0 1.0
   53    60    76    78   0.00000  1.0 1.0
   58    44   -45    46   3.62500 -1.0 2.0
   58    44    45    48   3.62500 -1.0 2.0
   58    53    60    63  -1.00000  1.0 1.0
   58    53    60    63   1.25000 -1.0 2.0
   58    53    60    76  -1.00000  1.0 1.0
   58    53    60    76   1.25000 -1.0 2.0
   60    53    58    44   3.62500 -1.0 2.0
   60    53    58    59   3.62500 -1.0 2.0
   60    63    66    67   0.22950  1.0 3.0
   60    63   -66    68   1.26750  1.0 1.0
   60    63   -66    68  -0.00950 -1.0 2.0
   60    63   -66    68   0.30600  1.0 3.0
   60    63    66    69   2.45700  1.0 1.0
   60    63    66    69   1.17300 -1.0 2.0
   63    60   -76    68   0.00000  1.0 1.0
   63    60    76    77   0.00000  1.0 1.0
   63    60    76    78   0.00000  1.0 1.0
   63    66    68    73   0.07850  1.0 1.0
   63    66    68    73  -0.03950 -1.0 2.0
   63    66    68    73   0.67350  1.0 3.0
   63    66    68    79   0.07850  1.0 1.0
   63    66    68    79  -0.03950 -1.0 2.0
   63    66    68    79   0.67350  1.0 3.0
   63    66   -68    76   0.56750  1.0 1.0
   63    66   -68    76  -0.07550 -1.0 2.0
   63    66   -68    76   0.20000  1.0 3.0
   63    66    69    70   0.17350  1.0 3.0
   63    66    69    71   0.17350  1.0 3.0
   63    66    69    72   0.17350  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.19200  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.19200  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68   -73    79   0.07850  1.0 1.0
   66    68   -73    79  -0.03950 -1.0 2.0
   66    68   -73    79   0.67350  1.0 3.0
   66    68   -79    73   0.07850  1.0 1.0
   66    68   -79    73  -0.03950 -1.0 2.0
   66    68   -79    73   0.67350  1.0 3.0
   66    68    79    80   0.15000  1.0 3.0
   66    68    79    81   0.15000  1.0 3.0
   66    68   -76    60   1.26750  1.0 1.0
   66    68   -76    60  -0.00950 -1.0 2.0
   66    68   -76    60   0.30600  1.0 3.0
   66    68    76    77   0.15000  1.0 3.0
   66    68    76    78   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    68    79   0.15000  1.0 3.0
   67    66    68    76   0.15000  1.0 3.0
   67    66    69    70   0.13050  1.0 3.0
   67    66    69    71   0.13050  1.0 3.0
   67    66    69    72   0.13050  1.0 3.0
   68    66    69    70   0.17350  1.0 3.0
   68    66    69    71   0.17350  1.0 3.0
   68    66    69    72   0.17350  1.0 3.0
   68    73   -79    80   0.15000  1.0 3.0
   68    73   -79    81   0.15000  1.0 3.0
   73    68   -79    80   0.15000  1.0 3.0
   73    68   -79    81   0.15000  1.0 3.0
   73    68    76    60   1.26750  1.0 1.0
   73    68    76    60  -0.00950 -1.0 2.0
   73    68    76    60   0.30600  1.0 3.0
   73    68    76    77   0.15000  1.0 3.0
   73    68    76    78   0.15000  1.0 3.0
   74    73   -79    68   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   75    73   -79    68   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   79    68   -73    74   0.15000  1.0 3.0
   79    68   -73    75   0.15000  1.0 3.0
   79    68    76    60   1.26750  1.0 1.0
   79    68    76    60  -0.00950 -1.0 2.0
   79    68    76    60   0.30600  1.0 3.0
   79    68    76    77   0.15000  1.0 3.0
   79    68    76    78   0.15000  1.0 3.0
   76    60    63    64   0.00000  1.0 1.0
   76    60    63    65   0.00000  1.0 1.0
   76    60   -63    66   0.00000  1.0 1.0
   76    68    73    74   0.15000  1.0 3.0
   76    68    73    75   0.15000  1.0 3.0
   76    68   -73    79   0.07850  1.0 1.0
   76    68   -73    79  -0.03950 -1.0 2.0
   76    68   -73    79   0.67350  1.0 3.0
   76    68   -79    73   0.07850  1.0 1.0
   76    68   -79    73  -0.03950 -1.0 2.0
   76    68   -79    73   0.67350  1.0 3.0
   76    68    79    80   0.15000  1.0 3.0
   76    68    79    81   0.15000  1.0 3.0
   69    66    68    73   1.36600  1.0 1.0
   69    66    68    73  -0.11450 -1.0 2.0
   69    66    68    73   0.24250  1.0 3.0
   69    66    68    79   1.36600  1.0 1.0
   69    66    68    79  -0.11450 -1.0 2.0
   69    66    68    79   0.24250  1.0 3.0
   69    66    68    76   1.36600  1.0 1.0
   69    66    68    76  -0.11450 -1.0 2.0
   69    66    68    76   0.24250  1.0 3.0
   48    45    46    47   3.62500 -1.0 2.0
   48    45    46    50   3.62500 -1.0 2.0
   48    52   -54    43   7.00000 -1.0 2.0
   48    52    54    55   7.00000 -1.0 2.0
   48    52    56    57   2.50000 -1.0 2.0
   48    52    56    61   1.00000 -1.0 2.0
   49    48    52    54   1.00000 -1.0 2.0
   49    48    52    56   2.50000 -1.0 2.0
   52    56    61    62   1.22000  1.0 1.0
   52    56    61    62   0.17300 -1.0 2.0
   54    43   -44    45   0.70250  1.0 1.0
   54    43   -44    45   1.56150 -1.0 2.0
   54    43    44    58   0.70250  1.0 1.0
   54    43    44    58   1.56150 -1.0 2.0
   54    52    56    57   1.00000 -1.0 2.0
   54    52    56    61  -0.01000  1.0 1.0
   54    52    56    61   1.29850 -1.0 2.0
   54    52    56    61  -0.09550  1.0 3.0
   56    52    54    43   7.00000 -1.0 2.0
   56    52    54    55   7.00000 -1.0 2.0
   57    56    61    62   0.92200  1.0 1.0
   57    56    61    62   3.74100 -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
   44    54    43    41   1.00000 -1.0 2.0
   45    58    44    43   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   53    51    50    46   4.00000 -1.0 2.0
   58    60    53    50   4.00000 -1.0 2.0
   53    59    58    44   4.00000 -1.0 2.0
   76    53    60    63   1.00000 -1.0 2.0
   45    52    48    49  10.50000 -1.0 2.0
   48    56    52    54   1.10000 -1.0 2.0
   43    55    54    52   1.10000 -1.0 2.0
   52    61    56    57  10.50000 -1.0 2.0
END
