* LIGAND DATABASE FILE (OPLS2005)
*
001      93    96    167    253     478
    1     0 S   NP   _N1_     1    29.15245    99.00685   -24.28668
    2     1 S   H    _HN1     2     1.02794   119.06487   -98.11330
    3     1 S   H    _H1_     3     1.02946    60.06445    -2.64005
    4     1 S   H    _H2_     4     1.02830    47.14386   174.02348
    5     1 S   CT   _CA1     5     1.50095   128.32154    90.75131
    6     5 S   HC   _HA1     6     1.09595   105.13659   110.40993
    7     5 S   CO3  _C1_     7     1.53618   112.43577    -9.60456
    8     7 S   O2Z  _O11     8     1.26342   115.06848   -46.82749
    9     7 S   O2Z  _O12     9     1.26238   114.84550   132.11207
   10     5 S   CT   _CB1    10     1.53034   107.41751  -131.95152
   11    10 S   HC   HB11    11     1.09839   108.88575   -52.60256
   12    10 S   HC   HB12    12     1.09807   110.67361    63.83195
   13    10 S   CT   _CG1    13     1.53053   112.71729  -173.72571
   14    13 S   HC   HG11    14     1.09592   110.67718   -72.17935
   15    13 S   HC   HG12    15     1.09690   109.73390    47.03880
   16    13 S   C    _CD1    16     1.51835   111.99569   167.12399
   17    16 S   O    _OE1    17     1.22751   123.21174    10.71568
   18    16 S   N    _N2_    18     1.38623   111.77045  -168.55704
   19    18 S   H    _HN2    19     1.01581   118.96419    -1.31656
   20    18 S   CT1  _CA2    20     1.46223   123.33420   172.73526
   21    20 S   HC   _HA2    21     1.09743   109.43090     5.22738
   22    20 S   C    _C2_    22     1.53733   108.24668  -109.89922
   23    22 S   O    _O2_    23     1.23061   122.41228  -147.13942
   24    20 S   CT   _CB2    32     1.53246   111.74277   127.67865
   25    24 S   HC   HB21    33     1.09489   109.88983    53.57343
   26    24 S   HC   HB22    34     1.09418   109.73162   172.53770
   27    22 S   N    _N3_    24     1.38369   113.70244    40.36358
   28    27 S   H    _HN3    25     1.01548   119.57630    -3.19230
   29    24 S   S    _SG2    35     1.82832   111.26321   -68.33148
   30    27 S   CT   _CA3    26     1.45271   123.32576   177.27868
   31    30 S   HC   HA31    27     1.09545   107.51814   -64.73587
   32    30 S   HC   HA32    28     1.09553   107.99970    51.73516
   33    29 S   CT   _C14    36     1.84896   100.95475   167.19532
   34    33 S   OM   _O35    37     1.31942   110.25818   177.58808
   35    30 S   CO3  _C3_    29     1.52984   114.00343   173.71990
   36    35 S   O2Z  _O31    30     1.26390   116.06655    -0.68328
   37    35 S   O2Z  _O32    31     1.26423   114.41945   179.36975
   38    33 S   CT   _C15    38     1.54581   108.15743    62.46230
   39    38 S   HC   _H9_    39     1.09643   111.63541   -68.08351
   40    38 S   HC   _H10    40     1.10023   111.21082   175.64216
   41    38 S   HC   _H11    41     1.09812   113.24701    54.67214
   42    33 S   OS   _O34    42     1.44669   113.83953   -53.25900
   43    42 S   CA   _C11    43     1.36709   124.06689   -62.78416
   44    43 S   CA   _C10    44     1.39157   127.07434    -7.90922
   45    44 S   HA   _H7_    45     1.08440   122.20589     0.77733
   46    44 S   CA   _C9_    46     1.40104   120.40317  -178.76568
   47    46 S   HA   _H6_    47     1.08760   117.59864  -179.95577
   48    46 S   CA   _C8_    48     1.40247   121.26045     0.26467
   49    48 S   CA   _C13    49     1.39240   117.89424    -0.37587
   50    43 S   CA   _C12    50     1.39735   114.35309   172.93617
   51    50 S   HA   _H8_    51     1.08815   119.62502    -1.15063
   52    49 S   OS   _O33    52     1.36355   122.89613  -178.04245
   53    52 S   CT   _C5_    53     1.44669   117.23624   -23.21278
   54    53 S   CM   _C6_    54     1.53453   113.75815    31.91798
   55    53 S   CT   _C4_    86     1.53950   106.53797   -90.98035
   56    55 S   HC   _H3_    87     1.09663   110.73606   -48.14736
   57    55 S   HC   _H4_    88     1.09436   112.25677  -168.85510
   58    55 S   HC   _H5_    89     1.09635   111.21654    69.77851
   59    53 S   CT   _C30    90     1.54054   103.31953   154.53742
   60    59 S   HC   _H26    91     1.09709   110.69907    51.14761
   61    59 S   HC   _H27    92     1.09655   110.84757   -66.28557
   62    59 S   HC   _H28    93     1.09486   112.66909   171.65470
   63    54 S   CA   _C23    55     1.48415   116.86758   159.80199
   64    48 S   CM   _C7_    70     1.47990   121.90510  -179.15860
   65    63 S   CA   _C24    56     1.40033   120.28384   -96.87534
   66    65 S   HA   _H19    57     1.08758   120.60959     1.16332
   67    64 S   CA   _C16    71     1.48395   123.27435     7.89083
   68    65 S   CA   _C25    58     1.39619   120.29438  -178.70427
   69    68 S   HA   _H20    59     1.08742   119.22396  -179.94766
   70    67 S   CA   _C17    72     1.39809   120.26376    85.88884
   71    70 S   HA   _H12    73     1.08725   120.69268     0.02798
   72    68 S   CA   _C26    60     1.39817   120.62792     0.25564
   73    70 S   CA   _C18    74     1.39617   120.08349   179.80021
   74    73 S   HA   _H13    75     1.08766   119.15055  -179.87805
   75    72 S   CA   _C27    61     1.39626   119.24044     0.07913
   76    75 S   HA   _H21    62     1.08545   121.92191   179.63792
   77    72 S   OS   _O37    65     1.36950   114.91832   179.94766
   78    73 S   CA   _C19    76     1.39862   120.69742     0.21214
   79    63 S   CA   _C28    63     1.40021   120.70336    85.02979
   80    79 S   HA   _H22    64     1.08755   120.53919    -0.65102
   81    77 S   CT   _C29    66     1.42270   116.78397  -179.71196
   82    81 S   HC   _H23    67     1.09428   107.75446   179.95577
   83    81 S   HC   _H24    68     1.09503   111.13216    62.19516
   84    81 S   HC   _H25    69     1.09502   111.13418   -62.28676
   85    78 S   CA   _C20    77     1.39653   119.26929     0.18557
   86    85 S   HA   _H14    78     1.08533   121.93888   179.80617
   87    78 S   OS   _O36    81     1.36957   114.91830  -179.89165
   88    67 S   CA   _C21    79     1.40085   120.45724   -93.67758
   89    88 S   HA   _H15    80     1.08766   120.44179     0.11364
   90    87 S   CT   _C22    82     1.42248   116.79327   179.86730
   91    90 S   HC   _H16    83     1.09429   107.75641  -179.86730
   92    90 S   HC   _H17    84     1.09502   111.13431    62.37929
   93    90 S   HC   _H18    85     1.09503   111.14131   -62.10627
  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   5   3   2   1   7   9   8   4   8   3  11
   9   4   1  12  14  19   9   3   2   1   5   2   1   1  11   9
   8   4   9   7   3   8   4   9   7   3   5   3   5   9   1   1
   3   2   1   1   5   3   5   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    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    50  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    51  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49    50    51    64  
   46    47    48    50  
   47    48    49    50    52    54    64    67  
   48    49    64  
   49    50    51    52    53    54    63    64    67    70    88  
   50    51    52    53    54    64    67    55    59  
   51    52    53    64  
   52  
   53    54    63    64    55    56    57    58    59    60    61    62  
   54    63    65    79    64    67    55    56    57    58    59    60    61    62  
   63    65    66    68    75    79    80    64    67    70    88    55    56    57    58    59    60    61    62  
   56    57    58    59    60    61    62    63    64  
   57    58    59  
   58    59  
   59  
   60    61    62    63    64  
   61    62  
   62  
    0  
   65    66    68    69    72    75    76    79    80    64    67  
   67    70    71    73    85    88    89    65    79  
   66    68    69    72    75    79    80    77  
   68    69    72    79  
   70    71    73    74    78    85    86    88    89  
   69    72    75    76    79    77    81  
   72    75    77  
   71    73    74    78    85    88    89    87  
   73    74    78    88  
   75    76    79    80    77    81    82    83    84  
   74    78    85    86    88    87    90  
   78    85    87  
   76    79    80    77    81  
   79    80    77  
   81    82    83    84    79  
   85    86    88    89    87    90    91    92    93  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
   86    88    89    87    90  
   88    89    87  
   90    91    92    93    88  
   89  
    0  
   91    92    93  
   92    93  
   93  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    64   320.000  1.460
   49    50   469.000  1.400
   49    52   450.000  1.364
   50    51   367.000  1.080
   52    53   320.000  1.410
   53    54   317.000  1.510
   53    55   268.000  1.529
   53    59   268.000  1.529
   54    63   320.000  1.460
   54    64   549.000  1.340
   63    65   469.000  1.400
   63    79   469.000  1.400
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    75   469.000  1.400
   72    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   64    67   320.000  1.460
   67    70   469.000  1.400
   67    88   469.000  1.400
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    85   469.000  1.400
   78    87   450.000  1.364
   85    86   367.000  1.080
   85    88   469.000  1.400
   88    89   367.000  1.080
   87    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    51    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    64    60.00000  120.93500
   48    46    47    35.00000  120.00000
   48    49    50    63.00000  120.00000
   48    49    52    70.00000  120.00000
   48    64    54    60.00000  123.20500
   48    64    67    60.00000  124.00000
   49    50    51    35.00000  120.00000
   49    52    53    75.00000  111.00000
   50    43    44    63.00000  120.00000
   52    49    50    70.00000  120.00000
   52    53    54    85.00000  110.90400
   52    53    55    50.00000  109.50000
   52    53    59    50.00000  109.50000
   53    54    63    60.00000  124.00000
   53    54    64    70.00000  124.00000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   54    63    65    60.00000  118.70000
   54    63    79    60.00000  118.70000
   54    64    67    60.00000  123.66000
   63    65    66    35.00000  120.00000
   63    65    68    63.00000  120.00000
   63    79    75    63.00000  120.00000
   63    79    80    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   68    65    66    35.00000  120.00000
   68    72    75    63.00000  120.00000
   68    72    77    70.00000  120.00000
   72    68    69    35.00000  120.00000
   72    75    76    35.00000  120.00000
   72    75    79    63.00000  120.00000
   72    77    81    75.00000  111.00000
   75    79    80    35.00000  120.00000
   79    63    65    63.00000  120.00000
   79    75    76    35.00000  120.00000
   77    72    75    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   64    48    49    60.00000  120.93500
   64    54    63    60.00000  123.66000
   64    67    70    60.00000  118.70000
   64    67    88    60.00000  118.70000
   67    70    71    35.00000  120.00000
   67    70    73    63.00000  120.00000
   67    88    85    63.00000  120.00000
   67    88    89    35.00000  120.00000
   70    73    74    35.00000  120.00000
   70    73    78    63.00000  120.00000
   73    70    71    35.00000  120.00000
   73    78    85    63.00000  120.00000
   73    78    87    70.00000  120.00000
   78    73    74    35.00000  120.00000
   78    85    86    35.00000  120.00000
   78    85    88    63.00000  120.00000
   78    87    90    75.00000  111.00000
   85    88    89    35.00000  120.00000
   88    67    70    63.00000  120.00000
   88    85    86    35.00000  120.00000
   87    78    85    70.00000  120.00000
   87    90    91    35.00000  109.50000
   87    90    92    35.00000  109.50000
   87    90    93    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   55    53    54    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    53    54    70.00000  112.02700
   59    53    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    50   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    51   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    64   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    64    54   0.15800  1.0 1.0
   46    48    64    54   1.85350 -1.0 2.0
   46    48    64    54  -0.48700  1.0 3.0
   46    48    64    67  -0.01750  1.0 1.0
   46    48    64    67  -0.32000 -1.0 2.0
   46    48    64    67   0.00600  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    64   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49    52    53   1.63200 -1.0 2.0
   48    64    67    70  -0.01750  1.0 1.0
   48    64    67    70  -0.32000 -1.0 2.0
   48    64    67    70   0.00600  1.0 3.0
   48    64    67    88  -0.01750  1.0 1.0
   48    64    67    88  -0.32000 -1.0 2.0
   48    64    67    88   0.00600  1.0 3.0
   49    48    64    54   0.15800  1.0 1.0
   49    48    64    54   1.85350 -1.0 2.0
   49    48    64    54  -0.48700  1.0 3.0
   49    48    64    67  -0.01750  1.0 1.0
   49    48    64    67  -0.32000 -1.0 2.0
   49    48    64    67   0.00600  1.0 3.0
   49    52   -53    54  -0.25600  1.0 1.0
   49    52   -53    54  -0.40050 -1.0 2.0
   49    52   -53    54   0.34700  1.0 3.0
   49    52    53    55  -0.32850  1.0 1.0
   49    52    53    55  -0.35800 -1.0 2.0
   49    52    53    55   0.33950  1.0 3.0
   49    52    53    59  -0.32850  1.0 1.0
   49    52    53    59  -0.35800 -1.0 2.0
   49    52    53    59   0.33950  1.0 3.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    52    53   1.63200 -1.0 2.0
   52    49    50    43   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    53    54    63   0.09700  1.0 1.0
   52    53    54    63   0.15600 -1.0 2.0
   52    53    54    63  -0.50800  1.0 3.0
   52    53    54    64   0.39000  1.0 1.0
   52    53    54    64  -0.05800 -1.0 2.0
   52    53    54    64  -0.55150  1.0 3.0
   52    53    55    56   0.23400  1.0 3.0
   52    53    55    57   0.23400  1.0 3.0
   52    53    55    58   0.23400  1.0 3.0
   52    53    59    60   0.23400  1.0 3.0
   52    53    59    61   0.23400  1.0 3.0
   52    53    59    62   0.23400  1.0 3.0
   53    54    63    65  -0.02500  1.0 1.0
   53    54    63    65  -0.32150 -1.0 2.0
   53    54    63    65  -0.01500  1.0 3.0
   53    54    63    79  -0.02500  1.0 1.0
   53    54    63    79  -0.32150 -1.0 2.0
   53    54    63    79  -0.01500  1.0 3.0
   53    54   -64    48   7.00000 -1.0 2.0
   53    54    64    67   7.00000 -1.0 2.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    63    65    66   3.62500 -1.0 2.0
   54    63    65    68   3.62500 -1.0 2.0
   54    63    79    75   3.62500 -1.0 2.0
   54    63    79    80   3.62500 -1.0 2.0
   54    64    67    70   0.15800  1.0 1.0
   54    64    67    70   1.85350 -1.0 2.0
   54    64    67    70  -0.48700  1.0 3.0
   54    64    67    88   0.15800  1.0 1.0
   54    64    67    88   1.85350 -1.0 2.0
   54    64    67    88  -0.48700  1.0 3.0
   63    54    64    48   7.00000 -1.0 2.0
   63    54    64    67   7.00000 -1.0 2.0
   63    65    68    69   3.62500 -1.0 2.0
   63    65    68    72   3.62500 -1.0 2.0
   65    63    79    75   3.62500 -1.0 2.0
   65    63    79    80   3.62500 -1.0 2.0
   65    68   -72    75   3.62500 -1.0 2.0
   65    68    72    77   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    72   3.62500 -1.0 2.0
   68    72    75    76   3.62500 -1.0 2.0
   68    72    75    79   3.62500 -1.0 2.0
   68    72    77    81   1.63200 -1.0 2.0
   69    68    72    75   3.62500 -1.0 2.0
   69    68    72    77   3.62500 -1.0 2.0
   72    75   -79    63   3.62500 -1.0 2.0
   72    75    79    80   3.62500 -1.0 2.0
   72    77    81    82   0.08050  1.0 3.0
   72    77    81    83   0.08050  1.0 3.0
   72    77    81    84   0.08050  1.0 3.0
   75    72    77    81   1.63200 -1.0 2.0
   76    75    79    63   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   79    63    65    66   3.62500 -1.0 2.0
   79    63   -65    68   3.62500 -1.0 2.0
   77    72    75    76   3.62500 -1.0 2.0
   77    72    75    79   3.62500 -1.0 2.0
   64    48    49    50   3.62500 -1.0 2.0
   64    48   -49    52   3.62500 -1.0 2.0
   64    54    63    65   0.15800  1.0 1.0
   64    54    63    65   1.85350 -1.0 2.0
   64    54    63    65  -0.48700  1.0 3.0
   64    54    63    79   0.15800  1.0 1.0
   64    54    63    79   1.85350 -1.0 2.0
   64    54    63    79  -0.48700  1.0 3.0
   64    67    70    71   3.62500 -1.0 2.0
   64    67    70    73   3.62500 -1.0 2.0
   64    67    88    85   3.62500 -1.0 2.0
   64    67    88    89   3.62500 -1.0 2.0
   67    70    73    74   3.62500 -1.0 2.0
   67    70    73    78   3.62500 -1.0 2.0
   70    67    88    85   3.62500 -1.0 2.0
   70    67    88    89   3.62500 -1.0 2.0
   70    73   -78    85   3.62500 -1.0 2.0
   70    73    78    87   3.62500 -1.0 2.0
   71    70    73    74   3.62500 -1.0 2.0
   71    70    73    78   3.62500 -1.0 2.0
   73    78    85    86   3.62500 -1.0 2.0
   73    78    85    88   3.62500 -1.0 2.0
   73    78    87    90   1.63200 -1.0 2.0
   74    73    78    85   3.62500 -1.0 2.0
   74    73    78    87   3.62500 -1.0 2.0
   78    85   -88    67   3.62500 -1.0 2.0
   78    85    88    89   3.62500 -1.0 2.0
   78    87    90    91   0.08050  1.0 3.0
   78    87    90    92   0.08050  1.0 3.0
   78    87    90    93   0.08050  1.0 3.0
   85    78    87    90   1.63200 -1.0 2.0
   86    85    88    67   3.62500 -1.0 2.0
   86    85    88    89   3.62500 -1.0 2.0
   88    67    70    71   3.62500 -1.0 2.0
   88    67   -70    73   3.62500 -1.0 2.0
   87    78    85    86   3.62500 -1.0 2.0
   87    78    85    88   3.62500 -1.0 2.0
   55    53    54    63  -0.01700  1.0 1.0
   55    53    54    63   0.06550 -1.0 2.0
   55    53    54    63  -0.91500  1.0 3.0
   55    53    54    64   0.09850  1.0 1.0
   55    53    54    64   0.15250 -1.0 2.0
   55    53    54    64  -0.50650  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   59    53    54    63  -0.01700  1.0 1.0
   59    53    54    63   0.06550 -1.0 2.0
   59    53    54    63  -0.91500  1.0 3.0
   59    53    54    64   0.09850  1.0 1.0
   59    53    54    64   0.15250 -1.0 2.0
   59    53    54    64  -0.50650  1.0 3.0
   59    53    55    56   0.15000  1.0 3.0
   59    53    55    57   0.15000  1.0 3.0
   59    53    55    58   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    64    48    46   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   49    51    50    43   1.10000 -1.0 2.0
   53    63    54    64   1.10000 -1.0 2.0
   65    79    63    54   4.00000 -1.0 2.0
   68    66    65    63   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   75    77    72    68   4.00000 -1.0 2.0
   79    76    75    72   1.10000 -1.0 2.0
   75    80    79    63   1.10000 -1.0 2.0
   48    67    64    54   1.10000 -1.0 2.0
   70    88    67    64   4.00000 -1.0 2.0
   73    71    70    67   1.10000 -1.0 2.0
   78    74    73    70   1.10000 -1.0 2.0
   85    87    78    73   4.00000 -1.0 2.0
   88    86    85    78   1.10000 -1.0 2.0
   85    89    88    67   1.10000 -1.0 2.0
END
