* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    168    264     483
    1     0 S   NP   _N1_     1    29.63873   101.82800   -19.88283
    2     1 S   H    _HN1     2     1.02807    83.58939   -90.09578
    3     1 S   H    _H1_     3     1.02966    50.35230    30.03079
    4     1 S   H    _H2_     4     1.02837    74.03667   159.26688
    5     1 S   CT   _CA1     5     1.50111   159.61867    52.11737
    6     5 S   HC   _HA1     6     1.09573   105.22812   159.52933
    7     5 S   CO3  _C1_     7     1.53652   112.63511    39.32309
    8     7 S   O2Z  _O11     8     1.26291   115.18610   -41.15042
    9     7 S   O2Z  _O12     9     1.26363   115.06731   138.28506
   10     5 S   CT   _CB1    10     1.53076   107.41554   -82.54527
   11    10 S   HC   HB11    11     1.09828   109.14150   -51.31343
   12    10 S   HC   HB12    12     1.09821   110.44168    65.15290
   13    10 S   CT   _CG1    13     1.53040   112.83083  -172.48237
   14    13 S   HC   HG11    14     1.09610   110.50671   -66.98472
   15    13 S   HC   HG12    15     1.09658   109.93465    52.29172
   16    13 S   C    _CD1    16     1.51810   112.23634   172.54346
   17    16 S   O    _OE1    17     1.22736   123.25701     1.57508
   18    16 S   N    _N2_    18     1.38555   111.76440  -178.46456
   19    18 S   H    _HN2    19     1.01576   119.11127     3.07377
   20    18 S   CT1  _CA2    20     1.45951   122.79711   176.63006
   21    20 S   HC   _HA2    21     1.09657   110.18296    17.41607
   22    20 S   C    _C2_    22     1.52632   104.34594  -100.07103
   23    22 S   O    _O2_    23     1.23016   122.42283   -80.84362
   24    20 S   CT   _CB2    32     1.53252   111.64514   140.84822
   25    24 S   HC   HB21    33     1.09306   110.03920    51.23720
   26    24 S   HC   HB22    34     1.09452   109.29578   170.14889
   27    22 S   N    _N3_    24     1.38407   113.02933    94.66394
   28    27 S   H    _HN3    25     1.01687   120.29634     0.70804
   29    24 S   S    _SG2    35     1.82746   110.24775   -70.38077
   30    27 S   CT   _CA3    26     1.45342   122.41044  -178.01979
   31    30 S   HC   HA31    27     1.09568   107.58401   -60.06407
   32    30 S   HC   HA32    28     1.09571   107.79621    56.21105
   33    29 S   CT   _C16    36     1.89450   102.74871   167.29592
   34    30 S   CO3  _C3_    29     1.52869   114.46307   177.99885
   35    34 S   O2Z  _O31    30     1.26315   116.12266    -3.25438
   36    34 S   O2Z  _O32    31     1.26452   114.37775   176.87751
   37    33 S   CT   _C17    37     1.56217   109.22125   -67.47253
   38    37 S   HC   _H13    38     1.09443   110.85808    63.52591
   39    37 S   HC   _H14    39     1.09473   110.39723   179.44928
   40    33 S   CT   _C18    77     1.55813   110.20210    51.11346
   41    40 S   HC   _H15    78     1.09572   110.26369   -62.04703
   42    40 S   HC   _H16    79     1.09582   109.48595  -177.43738
   43    37 S   S    _S1_    40     1.83314   116.27120   -58.67940
   44    40 S   S    _S2_    80     1.82782   115.81221    61.32322
   45    43 S   C4T  _C13    41     1.82336    96.45118   -56.26002
   46    45 S   HC   _H4_    42     1.09471   114.40670   -78.06803
   47    44 S   CRA  _C19    81     1.72633   101.29471  -179.65965
   48    45 S   C4T  _C12    43     1.55496   116.54866   145.12527
   49    48 S   HC   _H3_    44     1.09731   113.75605   139.57398
   50    45 S   N4   _N5_    47     1.45343   108.87857    49.25529
   51    47 S   N5B  _N6_    82     1.31459   127.38984    -1.35566
   52    48 S   C4   _C14    45     1.54959    85.37379  -108.85476
   53    52 S   O    _O34    46     1.20899   136.36542   178.04195
   54    33 S   CT1  _C15    48     1.56926   105.90473   172.73142
   55    54 S   HC   _H5_    49     1.09957   109.06206   -43.63211
   56    48 S   N    _N4_    53     1.47820   117.87144     6.32357
   57    56 S   H    _H12    54     1.01718   119.38111   -86.96235
   58    51 S   N5B  _N7_    83     1.37381   105.87318  -179.46624
   59    54 S   CO3  _C22    50     1.55055   116.44295  -162.85503
   60    59 S   O2Z  _O38    51     1.26228   116.13517   -47.96287
   61    59 S   O2Z  _O37    52     1.26469   114.70739   133.01299
   62    56 S   C    _C11    55     1.38748   122.19150    91.39873
   63    62 S   O    _O33    56     1.22853   124.18653     0.53522
   64    58 S   N5A  _N8_    84     1.32634   111.10635     0.07662
   65    62 S   CT   _C10    57     1.51682   112.27219  -177.72007
   66    65 S   HC   _H10    58     1.09542   108.52679    73.12700
   67    65 S   HC   _H11    59     1.09774   108.94410   -41.54280
   68    47 S   NA   _N9_    85     1.36648   124.01145   178.71869
   69    65 S   CA   _C8_    60     1.51172   113.25063  -163.54373
   70    68 S   CT   _C20    86     1.44256   131.05077     1.13763
   71    70 S   HC   _H17    87     1.09566   108.16461   142.02489
   72    70 S   HC   _H18    88     1.09350   109.67616    24.90663
   73    69 S   CA   _C9_    61     1.40694   117.98874    94.85346
   74    73 S   HA   _H9_    62     1.08799   120.21507     0.82448
   75    70 S   CO3  _C21    89     1.51805   108.53004   -96.81072
   76    75 S   O2Z  _O36    90     1.26350   115.16302  -100.72515
   77    75 S   O2Z  _O35    91     1.26330   115.38881    80.32130
   78    73 S   CA   _C4_    63     1.39401   121.07511  -179.35472
   79    78 S   HA   _H6_    64     1.08613   120.00898  -179.74207
   80    78 S   CA   _C5_    65     1.38942   119.87171     0.22814
   81    80 S   HA   _H7_    66     1.08616   120.07689  -179.86438
   82    80 S   CA   _C6_    67     1.39414   119.86624     0.22468
   83    82 S   HA   _H8_    68     1.08804   118.64528   179.94405
   84    69 S   CA   _C7_    69     1.41148   122.92124   -83.40380
   85    84 S   CT   _C23    70     1.50487   122.90698    -2.15622
   86    85 S   HC   _H19    71     1.09314   112.71603    27.01262
   87    85 S   HC   _H20    72     1.09582   110.73791   146.68806
   88    85 S   NP   _N10    73     1.48296   112.77791   -94.10010
   89    88 S   H    _H21    74     1.02736   111.59824   178.80646
   90    88 S   H    _H22    75     1.03487   111.62473    58.96066
   91    88 S   H    _H23    76     1.02774   111.69526   -60.49872
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  12   6   8  10
   6   8   4   7   2   4   3   7   3   3   2   1   1   7   4   5
   9   4   3   6  12   5   4   3   8   4   2   1   1   6   3   5
   3   6   2   7   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    54    55    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    52    50    54    55    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    50    54    55    59    40    41    42    44  
   39    43    45    54    40  
   43    45    54    40  
   41    42    44    47    51    68    43    50    54    55    59  
   42    44    47    54  
   44    47    54  
   45    46    48    49    52    50    54    56  
   47    51    58    64    68    70    54  
   46    48    49    52    53    50    54    55    59    56    57    62  
   48    49    52    50    54    56  
   51    58    64    68    70    71    72    75  
   49    52    53    50    54    56    57    62    63    65  
   52    53    50    56    57    62  
   54    55    59    60    61    56    52    53  
   58    64    68    70  
   53    54    55    59    56    57    62  
   54    56  
   55    59    60    61  
   59    60    61  
   57    62    63    65    66    67    69  
   62    63    65  
   64    68    70  
   60    61  
   61  
    0  
   63    65    66    67    69    73    84  
   65    66    67    69  
   68    70    71    72    75  
   66    67    69    73    74    78    82    84    85  
   67    69    73    84  
   69    73    84  
   70    71    72    75    76    77  
   73    74    78    79    80    82    83    84    85    86    87    88  
   71    72    75    76    77  
   72    75    76    77  
   75    76    77  
   74    78    79    80    81    82    84    85  
   78    79    80    84  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81    82  
   81    82    83    84    85  
   82    83    84  
   83    84    85    86    87    88  
   84    85  
   85    86    87    88    89    90    91  
   86    87    88    89    90    91  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   65   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.097500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   85   3.5000   0.0660   0.305000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   89   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   90   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   91   0.5000   0.0300   0.330000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   305.000  1.456
   48    49   340.000  1.090
   48    52   250.000  1.540
   48    56   337.000  1.449
   52    53   930.000  1.212
   52    50   440.000  1.369
   50    54   337.000  1.449
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   56    57   434.000  1.010
   56    62   490.000  1.335
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   317.000  1.510
   69    73   469.000  1.400
   69    84   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   367.000  1.471
   88    89   434.000  1.010
   88    90   434.000  1.010
   88    91   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    51   488.000  1.335
   47    68   477.000  1.343
   51    58   290.000  1.379
   58    64   420.000  1.291
   64    68   400.000  1.349
   68    70   320.000  1.443
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   317.000  1.522
   75    76   656.000  1.250
   75    77   656.000  1.250
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    54    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    54    50    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    48    49    37.50000  110.70000
   45    48    52   100.00000   86.36000
   45    48    56    80.00000  110.05700
   45    50    52   100.00000   93.00000
   45    50    54    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    52    53    60.00000  136.58000
   48    52    50    95.00000   92.72400
   48    56    57    38.00000  118.40000
   48    56    62    50.00000  121.90000
   52    48    49    40.00000  113.37500
   52    50    54    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    48   105.00000   87.49700
   50    52    53    75.00000  131.60000
   50    54    55    35.00000  109.50000
   50    54    59    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    59    60    70.00000  117.00000
   54    59    61    70.00000  117.00000
   59    54    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   56    48    49    50.00000  112.01000
   56    48    52    75.00000  110.24000
   56    62    63    80.00000  122.90000
   56    62    65    70.00000  116.60000
   62    56    57    35.00000  119.80000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    69    70.00000  109.44300
   65    62    63    80.00000  120.40000
   65    69    73    70.00000  120.00000
   65    69    84    70.00000  120.00000
   67    65    66    33.00000  107.80000
   69    65    66    35.00000  109.50000
   69    65    67    35.00000  109.50000
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    84    82    63.00000  120.00000
   69    84    85    70.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    80    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    70.00000  120.00000
   84    69    73    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    75.00000  110.83300
   85    88    89    35.00000  109.50000
   85    88    90    35.00000  109.50000
   85    88    91    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    35.00000  109.50000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    51    70.00000  126.12900
   44    47    68    70.00000  123.45500
   47    51    58   100.00000  108.10500
   47    68    64    95.00000  110.06400
   47    68    70    60.00000  127.66100
   51    58    64   100.00000  111.97400
   58    64    68   110.00000  106.81600
   64    68    70    75.00000  118.68000
   68    47    51    70.00000  120.00000
   68    70    71    50.00000  108.61900
   68    70    72    50.00000  108.61900
   68    70    75    70.00000  110.94000
   70    75    76    70.00000  117.00000
   70    75    77    70.00000  117.00000
   72    70    71    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    35.00000  109.50000
   77    75    76    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    54    50   0.71400  1.0 1.0
   29    33    54    50   0.04300 -1.0 2.0
   29    33    54    50   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59  -2.17200  1.0 1.0
   29    33    54    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    54    59    60   0.00000  1.0 1.0
   33    54    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    54    50   0.42250  1.0 1.0
   37    33    54    50  -0.48100 -1.0 2.0
   37    33    54    50   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    59  -0.84850  1.0 1.0
   37    33    54    59  -0.22800 -1.0 2.0
   37    33    54    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    49   0.00000  1.0 1.0
   43    45    48    52   0.00000  1.0 1.0
   43    45    48    56   0.00000  1.0 1.0
   43    45   -50    52   0.00000  1.0 1.0
   43    45    50    54   0.00000  1.0 1.0
   45    48    52    53  -0.11250  1.0 1.0
   45    48    52    53   0.11400 -1.0 2.0
   45    48    52    53  -0.28950  1.0 3.0
   45    48   -52    50   3.00000 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    62  -0.43950  1.0 1.0
   45    48    56    62  -0.08100 -1.0 2.0
   45    48    56    62   0.03350  1.0 3.0
   45    50   -54    33   0.00000  1.0 1.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    59   0.00000  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45   -50    52   0.00000  1.0 1.0
   46    45    50    54   0.00000  1.0 1.0
   48    45   -50    52   0.00000  1.0 1.0
   48    45    50    54   0.00000  1.0 1.0
   48    52   -50    45   3.00000 -1.0 2.0
   48    52   -50    54   3.00000 -1.0 2.0
   48    56    62    63   3.04450 -1.0 2.0
   48    56    62    65   1.49850  1.0 1.0
   48    56    62    65   1.53950 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    50   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    62   0.00000  1.0 1.0
   52    48    56    57   0.00000  1.0 1.0
   52    48    56    62  -0.42300  1.0 1.0
   52    48    56    62  -0.07000 -1.0 2.0
   52    48    56    62   0.04150  1.0 3.0
   52    50    54    33   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    59   0.00000  1.0 1.0
   53    52   -50    45   3.00000 -1.0 2.0
   53    52    50    54   3.00000 -1.0 2.0
   50    45   -48    49   0.15000  1.0 3.0
   50    45   -48    52   3.00000 -1.0 2.0
   50    45    48    56   2.20050  1.0 1.0
   50    45    48    56   0.63450 -1.0 2.0
   50    45    48    56  -0.91300  1.0 3.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    43   0.44750  1.0 1.0
   54    33   -37    43  -0.17800 -1.0 2.0
   54    33   -37    43   0.20200  1.0 3.0
   54    33    40    41   0.15000  1.0 3.0
   54    33    40    42   0.15000  1.0 3.0
   54    33    40    44   0.44750  1.0 1.0
   54    33    40    44  -0.17800 -1.0 2.0
   54    33    40    44   0.20200  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   56    48    52    53   0.30150 -1.0 2.0
   56    48   -52    50   0.00000  1.0 1.0
   56    62    65    66   0.00000  1.0 1.0
   56    62    65    67   0.00000  1.0 1.0
   56    62    65    69   0.00000  1.0 1.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    65   2.45000 -1.0 2.0
   62    65    69    73   0.04300 -1.0 2.0
   62    65    69    84   0.04300 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    69   0.30150 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   65    69    73    78   3.62500 -1.0 2.0
   65    69    84    82   3.62500 -1.0 2.0
   65    69    84    85   3.62500 -1.0 2.0
   66    65    69    73   0.00000  1.0 1.0
   66    65    69    84   0.00000  1.0 1.0
   67    65    69    73   0.00000  1.0 1.0
   67    65    69    84   0.00000  1.0 1.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    80   3.62500 -1.0 2.0
   69    84    85    86   0.00000  1.0 1.0
   69    84    85    87   0.00000  1.0 1.0
   69    84    85    88  -0.46400 -1.0 2.0
   73    69    84    82   3.62500 -1.0 2.0
   73    69    84    85   3.62500 -1.0 2.0
   73    78    80    81   3.62500 -1.0 2.0
   73    78   -80    82   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    80   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   78    80    82    84   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82   -84    69   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84    85    86   0.00000  1.0 1.0
   82    84    85    87   0.00000  1.0 1.0
   82    84    85    88  -0.46400 -1.0 2.0
   83    82    84    69   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   84    69    73    74   3.62500 -1.0 2.0
   84    69   -73    78   3.62500 -1.0 2.0
   84    85    88    89   0.17350  1.0 3.0
   84    85    88    90   0.17350  1.0 3.0
   84    85    88    91   0.17350  1.0 3.0
   86    85    88    89   0.13050  1.0 3.0
   86    85    88    90   0.13050  1.0 3.0
   86    85    88    91   0.13050  1.0 3.0
   87    85    88    89   0.13050  1.0 3.0
   87    85    88    90   0.13050  1.0 3.0
   87    85    88    91   0.13050  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    54    50   0.42250  1.0 1.0
   40    33    54    50  -0.48100 -1.0 2.0
   40    33    54    50   0.35650  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    59  -0.84850  1.0 1.0
   40    33    54    59  -0.22800 -1.0 2.0
   40    33    54    59   0.29250  1.0 3.0
   40    44    47    51   0.63150 -1.0 2.0
   40    44    47    68   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    51    58   3.62500 -1.0 2.0
   44    47    68    64   3.62500 -1.0 2.0
   44    47    68    70   3.62500 -1.0 2.0
   47    51   -58    64   3.62500 -1.0 2.0
   47    68    70    71   0.00000  1.0 1.0
   47    68    70    72   0.00000  1.0 1.0
   47    68    70    75   0.68100  1.0 1.0
   47    68    70    75   0.03350 -1.0 2.0
   47    68    70    75   0.36200  1.0 3.0
   51    47   -68    64   3.62500 -1.0 2.0
   51    47    68    70   3.62500 -1.0 2.0
   51    58   -64    68   3.62500 -1.0 2.0
   58    64   -68    47   3.62500 -1.0 2.0
   58    64    68    70   3.62500 -1.0 2.0
   64    68    70    71   0.00000  1.0 1.0
   64    68    70    72   0.00000  1.0 1.0
   64    68    70    75   0.68100  1.0 1.0
   64    68    70    75   0.03350 -1.0 2.0
   64    68    70    75   0.36200  1.0 3.0
   68    47   -51    58   3.62500 -1.0 2.0
   68    70    75    76   0.30150 -1.0 2.0
   68    70    75    77   0.30150 -1.0 2.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    77   0.00000  1.0 1.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   48    50    52    53  10.50000 -1.0 2.0
   54    52    50    45   1.00000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   57    62    56    48   1.00000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
   73    84    69    65   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   80    79    78    73   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   82    85    84    69   4.00000 -1.0 2.0
   51    68    47    44   4.00000 -1.0 2.0
   64    70    68    47   4.00000 -1.0 2.0
   76    70    75    77  10.50000 -1.0 2.0
END
