* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    148    234     438
    1     0 S   NP   _N1_     1    29.50024    97.33906   -25.47507
    2     1 S   H    _HN1     2     1.02828    38.66643  -179.82754
    3     1 S   H    _H1_     3     1.02784   118.31227   -96.42187
    4     1 S   H    _H2_     4     1.02950    68.46997     3.47818
    5     1 S   CT   _CA1     5     1.50110   126.87884   103.42192
    6     5 S   HC   _HA1     6     1.09573   105.20945    99.78206
    7     5 S   CO3  _C1_     7     1.53793   112.42898   -20.46991
    8     7 S   O2Z  _O11     8     1.26372   115.00797   -43.24597
    9     7 S   O2Z  _O12     9     1.26238   114.94335   135.89907
   10     5 S   CT   _CB1    10     1.53081   107.42464  -142.23998
   11    10 S   HC   HB11    11     1.09831   109.38719   -49.85113
   12    10 S   HC   HB12    12     1.09815   110.43867    66.75256
   13    10 S   CT   _CG1    13     1.52992   112.60490  -170.84427
   14    13 S   HC   HG11    14     1.09585   110.59435   -64.90317
   15    13 S   HC   HG12    15     1.09667   109.83635    54.33639
   16    13 S   C    _CD1    16     1.51788   112.24370   174.77828
   17    16 S   O    _OE1    17     1.22729   123.29410     4.99454
   18    16 S   N    _N2_    18     1.38645   111.66998  -175.15107
   19    18 S   H    _HN2    19     1.01590   118.99551     1.48543
   20    18 S   CT1  _CA2    20     1.46091   123.32328   178.05137
   21    20 S   HC   _HA2    21     1.09584   109.30576    -1.09593
   22    20 S   C    _C2_    22     1.53506   108.79276  -116.17641
   23    22 S   O    _O2_    23     1.23055   122.22401  -149.39485
   24    20 S   CT   _CB2    32     1.53284   111.66129   121.31685
   25    24 S   HC   HB21    33     1.09651   109.69127    60.77355
   26    24 S   HC   HB22    34     1.09564   111.01475   178.25392
   27    22 S   N    _N3_    24     1.38318   113.68107    38.17482
   28    27 S   H    _HN3    25     1.01604   119.54632    -3.63108
   29    24 S   S    _SG2    35     1.82875   114.34493   -59.06570
   30    27 S   CT   _CA3    26     1.45283   123.19705   176.95650
   31    30 S   HC   HA31    27     1.09550   107.53728   -63.78353
   32    30 S   HC   HA32    28     1.09556   107.94994    52.64441
   33    29 S   CT   _C14    36     1.82859    99.74785   -67.78959
   34    33 S   HC   _H12    37     1.09495   108.00620   -52.41830
   35    33 S   HC   _H13    38     1.09279   108.56392    66.11171
   36    30 S   CO3  _C3_    29     1.52951   114.08827   174.62094
   37    36 S   O2Z  _O31    30     1.26373   116.05990    -0.62901
   38    36 S   O2Z  _O32    31     1.26426   114.41355   179.42665
   39    33 S   CT   _C13    39     1.53679   110.36772  -172.73312
   40    39 S   HC   _H5_    40     1.09628   109.21553   -53.64725
   41    39 S   CT   _C12    41     1.53938   111.10962  -174.72838
   42    41 S   HC   _H4_    42     1.09796   109.07762   -53.16648
   43    39 S   OH   _O33    83     1.42694   109.56405    65.23827
   44    43 S   HO   _H14    84     0.97343   107.04161   -55.23249
   45    41 S   CT   _C11    43     1.54314   114.20191  -174.00357
   46    45 S   HC   _H3_    44     1.09596   109.39230    57.52050
   47    41 S   OH   _O34    81     1.42917   109.00296    63.10246
   48    47 S   HO   _H15    82     0.97372   106.78673   178.22889
   49    45 S   CT   _C10    45     1.53800   113.58187   -67.54557
   50    49 S   HC   _H10    46     1.09558   111.09754    48.73857
   51    49 S   HC   _H11    47     1.09744   110.19980   -69.12526
   52    45 S   OH   _O35    79     1.43478   106.52404   172.77759
   53    52 S   HO   _H16    80     0.97266   107.44932  -171.33734
   54    49 S   CA   _C9_    48     1.51140   112.39627   169.13748
   55    54 S   CA   _C4_    49     1.39773   120.82336   102.65060
   56    55 S   HA   _H6_    50     1.08746   120.38225     0.44499
   57    55 S   CA   _C5_    51     1.39987   120.62135  -179.49448
   58    57 S   HA   _H7_    52     1.08696   117.74761  -179.91607
   59    57 S   CA   _C6_    53     1.40139   121.29896     0.30964
   60    59 S   CA   _C7_    54     1.40375   117.47102    -0.55883
   61    60 S   HA   _H8_    55     1.08833   120.03714  -179.51302
   62    59 S   NE   _N4_    58     1.38630   123.57168  -179.18868
   63    62 S   H    _H17    59     1.01451   117.51353  -174.92171
   64    54 S   CA   _C8_    56     1.39764   120.50562   -76.80423
   65    64 S   HA   _H9_    57     1.08740   120.37178    -0.56717
   66    62 S   CT   _C15    60     1.45071   123.61355    -1.82874
   67    66 S   HC   _H18    61     1.09688   110.92140    56.75005
   68    66 S   HC   _H19    62     1.09677   110.05842   -62.28749
   69    66 S   CA   _C16    63     1.50419   110.40587   177.35351
   70    69 S   CA   _C17    64     1.38737   121.13620   -79.94000
   71    70 S   HA   _H20    65     1.08461   121.89701    -0.92556
   72    70 S   NB   _N5_    66     1.35214   122.82381   178.92662
   73    72 S   CA   _C18    67     1.34845   116.41328    -0.26319
   74    73 S   CA   _C19    68     1.38223   120.46801    -0.06256
   75    74 S   C    _C20    69     1.46784   118.70341  -179.88465
   76    75 S   O    _O36    70     1.22464   121.58272   180.00000
   77    69 S   NB   _N6_    78     1.35189   117.98157    98.42919
   78    75 S   N    _N7_    71     1.38429   114.04534    -0.02798
   79    78 S   H    _H21    72     1.01413   117.34395  -179.97202
   80    78 S   CDX  _C21    73     1.38740   124.26393     0.00000
   81    73 S   NI   _N8_    74     1.40310   116.48938  -180.00000
   82    80 S   NE   _N9_    75     1.36562   115.95577  -180.00000
   83    82 S   H    _H22    76     1.01392   120.43730   180.00000
   84    82 S   H    _H23    77     1.01295   122.09979     0.00000
  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   7   5   4   3
  10   5   4   2   1   1  11   6  13   7   3   1  11   7   3   1
  11   5   4   2   1   9   8   4   8   3  10   6   3   8   4   1
   1   8   4   3   7   6   3   6   8   7   7   4   2   6   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    52    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    54    52    53    47    48    43    44  
   45    46    49    52    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    55    64    52    53    47    48  
   49    50    51    54    52    53    47  
   48    49    52  
    0  
   50    51    54    55    56    57    60    64    65    52    53  
   51    54    55    64    52  
   54    55    64    52  
   53    54  
    0  
   55    56    57    58    59    60    61    64    65  
   56    57    58    59    60    64    65    62  
   57    58    59    64  
   58    59    60    61    64    62    63    66  
   59    60    62  
   60    61    64    65    62    63    66    67    68    69  
   61    64    65    62    63    66  
   64    65    62  
   63    66    67    68    69    70    77    64  
   66    67    68    69  
   65  
    0  
   67    68    69    70    71    72    74    77  
   68    69    70    77  
   69    70    77  
   70    71    72    73    74    75    77  
   71    72    73    74    81    77  
   72    73    77  
   73    74    75    80    81    77  
   74    75    76    78    80    81    82    77  
   75    76    78    79    80    81    77  
   76    78    79    80    81    82    77  
   78    79    80    77  
   78    81  
   79    80    81    82    83    84  
   80    81    82  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.195000   2.4950   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.119000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.192000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.042000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700  -0.468000   1.8000   1.6000   0.001000000  -0.511443539
   73   3.5500   0.0700   0.264800   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.119000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   77   3.2500   0.1700  -0.468000   1.8000   1.6000   0.001000000  -0.511443539
   78   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   79   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   80   3.7500   0.1050   0.679600   2.1120   1.8750   0.001000000  -0.126889456
   81   3.2800   0.1700  -0.522900   1.9250   1.7000   0.054801302  -2.445846770
   82   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   83   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    55   469.000  1.400
   54    64   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   469.000  1.400
   59    62   481.000  1.340
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   367.000  1.080
   62    63   434.000  1.010
   62    66   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.510
   69    70   469.000  1.400
   69    77   483.000  1.339
   70    71   367.000  1.080
   70    72   483.000  1.339
   72    73   483.000  1.339
   73    74   469.000  1.400
   73    81   400.000  1.385
   74    75   400.000  1.490
   74    77   483.000  1.339
   75    76   570.000  1.229
   75    78   490.000  1.335
   78    79   434.000  1.010
   78    80   400.000  1.380
   80    81   650.000  1.285
   80    82   445.000  1.380
   82    83   434.000  1.010
   82    84   434.000  1.010
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    52    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    54    70.00000  112.17500
   45    52    53    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    54    55    70.00000  120.00000
   49    54    64    70.00000  120.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    57    63.00000  120.00000
   54    64    60    63.00000  120.00000
   54    64    65    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    63.00000  120.00000
   57    59    62    70.00000  120.10000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    64    63.00000  120.00000
   59    62    63    35.00000  113.50000
   59    62    66    50.00000  120.00000
   60    64    65    35.00000  120.00000
   64    54    55    63.00000  120.00000
   64    60    61    35.00000  120.00000
   62    59    60    70.00000  120.10000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    75.00000  113.31400
   66    62    63    35.00000  112.50000
   66    69    70    70.00000  120.00000
   66    69    77    75.00000  115.74700
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    70    71    35.00000  120.00000
   69    70    72    70.00000  124.00000
   69    77    74    70.00000  117.00000
   70    72    73    70.00000  117.00000
   72    70    71    35.00000  116.00000
   72    73    74    70.00000  124.00000
   72    73    81    75.00000  118.65000
   73    74    75    85.00000  120.00000
   73    74    77    70.00000  124.00000
   73    81    80    70.00000  111.79000
   74    75    76    80.00000  120.40000
   74    75    78    75.00000  113.92100
   75    78    79    35.00000  119.80000
   75    78    80    70.00000  120.51600
   78    75    76    80.00000  122.90000
   78    80    81    80.00000  119.04400
   78    80    82    85.00000  111.44000
   80    78    79    45.00000  120.05200
   80    82    83    35.00000  119.50000
   80    82    84    35.00000  119.50000
   81    73    74    70.00000  120.44500
   82    80    81    75.00000  124.36500
   84    82    83    35.00000  109.00000
   77    69    70    70.00000  124.00000
   77    74    75    75.00000  117.56100
   52    45    46    35.00000  109.50000
   52    45    49    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    52   0.86500  1.0 1.0
   39    41    45    52  -0.17500 -1.0 2.0
   39    41    45    52   0.20800  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    54  -0.03700  1.0 1.0
   41    45    49    54   0.37200 -1.0 2.0
   41    45    49    54  -0.47300  1.0 3.0
   41    45    52    53  -0.11600  1.0 1.0
   41    45    52    53  -0.09450 -1.0 2.0
   41    45    52    53   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    52   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    54    55   0.04150 -1.0 2.0
   45    49    54    64   0.04150 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.43200  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    54    55    56   3.62500 -1.0 2.0
   49    54    55    57   3.62500 -1.0 2.0
   49    54    64    60   3.62500 -1.0 2.0
   49    54    64    65   3.62500 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    64   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    64   0.00000  1.0 1.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    59   3.62500 -1.0 2.0
   55    54    64    60   3.62500 -1.0 2.0
   55    54    64    65   3.62500 -1.0 2.0
   55    57   -59    60   3.62500 -1.0 2.0
   55    57    59    62   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59    60    64   3.62500 -1.0 2.0
   57    59    62    63   1.00000 -1.0 2.0
   57    59    62    66  -1.00000  1.0 1.0
   57    59    62    66   1.25000 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   59    60   -64    54   3.62500 -1.0 2.0
   59    60    64    65   3.62500 -1.0 2.0
   59    62    66    67   0.00000  1.0 1.0
   59    62    66    68   0.00000  1.0 1.0
   59    62    66    69  -0.82250  1.0 1.0
   59    62    66    69   0.55550 -1.0 2.0
   59    62    66    69   0.36950  1.0 3.0
   60    59    62    63   1.00000 -1.0 2.0
   60    59    62    66  -1.00000  1.0 1.0
   60    59    62    66   1.25000 -1.0 2.0
   61    60    64    54   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   64    54    55    56   3.62500 -1.0 2.0
   64    54   -55    57   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    64   3.62500 -1.0 2.0
   62    66    69    70  -0.06000  1.0 1.0
   62    66    69    70   0.30500 -1.0 2.0
   62    66    69    70   0.09200  1.0 3.0
   62    66    69    77   0.04300 -1.0 2.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    69   0.00000  1.0 1.0
   66    69    70    71   3.62500 -1.0 2.0
   66    69    70    72   3.62500 -1.0 2.0
   66    69    77    74   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    77   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    77   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   70    69    77    74   3.62500 -1.0 2.0
   70    72   -73    74   3.62500 -1.0 2.0
   70    72    73    81   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    73    74    75   3.62500 -1.0 2.0
   72    73    74    77   3.62500 -1.0 2.0
   72    73    81    80   1.25000 -1.0 2.0
   73    74    75    76   1.05000 -1.0 2.0
   73    74    75    78   0.75700  1.0 1.0
   73    74    75    78   0.34650 -1.0 2.0
   73    74    75    78   0.33000  1.0 3.0
   73    74    75    78  -0.28100 -1.0 4.0
   73    74   -77    69   3.62500 -1.0 2.0
   74    73    81    80   1.25000 -1.0 2.0
   74    75    78    79   2.56700 -1.0 2.0
   74    75   -78    80   2.45000 -1.0 2.0
   75    74    77    69   3.62500 -1.0 2.0
   75    78    80    81  -0.56400  1.0 1.0
   75    78    80    81   0.77500 -1.0 2.0
   75    78    80    81   0.18700  1.0 3.0
   75    78    80    82  -0.56400  1.0 1.0
   75    78    80    82   0.77500 -1.0 2.0
   75    78    80    82   0.18700  1.0 3.0
   76    75    78    79   2.45000 -1.0 2.0
   76    75    78    80   2.67200 -1.0 2.0
   78    80   -81    73   6.00000 -1.0 2.0
   78    80    82    83   1.00000 -1.0 2.0
   78    80    82    84   1.00000 -1.0 2.0
   79    78    80    81   1.00000 -1.0 2.0
   79    78    80    82   1.00000 -1.0 2.0
   81    73   -74    75   3.62500 -1.0 2.0
   81    73    74    77   3.62500 -1.0 2.0
   81    80    82    83   1.50000 -1.0 2.0
   81    80    82    84   1.50000 -1.0 2.0
   82    80    81    73   6.00000 -1.0 2.0
   77    69    70    71   3.62500 -1.0 2.0
   77    69   -70    72   3.62500 -1.0 2.0
   77    74    75    76   1.05000 -1.0 2.0
   77    74    75    78   1.61600  1.0 1.0
   77    74    75    78  -0.04750 -1.0 2.0
   77    74    75    78   0.11700  1.0 3.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    54   1.13150  1.0 1.0
   52    45    49    54  -1.01400 -1.0 2.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    52   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   55    64    54    49   4.00000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   60    62    59    57   4.00000 -1.0 2.0
   64    61    60    59   1.10000 -1.0 2.0
   60    65    64    54   1.10000 -1.0 2.0
   63    59    62    66   1.00000 -1.0 2.0
   70    77    69    66   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    81    73    72   4.00000 -1.0 2.0
   75    77    74    73   4.00000 -1.0 2.0
   74    78    75    76  10.50000 -1.0 2.0
   79    75    78    80   1.00000 -1.0 2.0
   78    82    80    81  10.50000 -1.0 2.0
   84    80    82    83   1.00000 -1.0 2.0
END
