* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    235     446
    1     0 S   NP   _N1_     1    31.40856   100.41273   -22.70736
    2     1 S   H    _HN1     2     1.03164    95.63519   -78.01690
    3     1 S   H    _H1_     3     1.02783    15.81159   133.93016
    4     1 S   H    _H2_     4     1.02879   121.21245   168.66386
    5     1 S   CT   _CA1     5     1.49871   110.48059    36.87397
    6     5 S   HC   _HA1     6     1.09269   104.33954  -163.35472
    7     5 S   CO3  _C1_     7     1.53550   113.15882    77.46191
    8     7 S   O2Z  _O11     8     1.26320   115.44230   -48.70530
    9     7 S   O2Z  _O12     9     1.26335   114.67349   131.10822
   10     5 S   CT   _CB1    10     1.53353   107.65480   -45.22054
   11    10 S   HC   HB11    11     1.09801   109.38118   -49.89894
   12    10 S   HC   HB12    12     1.09776   109.68191    66.53218
   13    10 S   CT   _CG1    13     1.53158   114.30875  -171.89385
   14    13 S   HC   HG11    14     1.09666   109.41424  -172.96709
   15    13 S   HC   HG12    15     1.09429   111.64307   -55.43631
   16    13 S   C    _CD1    16     1.51399   111.46118    68.56317
   17    16 S   O    _OE1    17     1.22877   121.76439    84.92806
   18    16 S   N    _N2_    18     1.38294   113.04367   -92.98676
   19    18 S   H    _HN2    19     1.01818   119.06403     1.80624
   20    18 S   CT1  _CA2    20     1.46056   122.96366   174.78214
   21    20 S   HC   _HA2    21     1.09693   110.08253    21.89632
   22    20 S   C    _C2_    22     1.52991   104.61898   -94.91099
   23    22 S   O    _O2_    23     1.22925   122.65607   -95.85394
   24    20 S   CT   _CB2    32     1.53124   111.18116   145.10303
   25    24 S   HC   HB21    33     1.09584   109.99312    53.32099
   26    24 S   HC   HB22    34     1.09506   110.58616   172.52399
   27    22 S   N    _N3_    24     1.38743   112.74024    80.70860
   28    27 S   H    _HN3    25     1.01622   119.24533    -1.31641
   29    24 S   S    _SG2    35     1.82562   110.54617   -67.36566
   30    27 S   CT   _CA3    26     1.45486   122.98451  -174.86195
   31    30 S   HC   HA31    27     1.09490   107.31737  -147.87163
   32    30 S   HC   HA32    28     1.09530   109.16849   -30.88223
   33    29 S   CT   _C20    36     1.82173    99.23162   159.06600
   34    33 S   HC   _H3_    37     1.09455   110.48519   -36.09292
   35    33 S   HC   _H4_    38     1.09427   107.79322    80.57666
   36    30 S   CO3  _C3_    29     1.52843   112.45979    92.17370
   37    36 S   O2Z  _O31    30     1.26501   115.39546    62.07133
   38    36 S   O2Z  _O32    31     1.26300   115.54552  -117.55955
   39    33 S   CM   _C6_    39     1.50067   110.34970  -156.64702
   40    39 S   CMA  _C7_    40     1.35217   127.53573  -115.60778
   41    40 S   OM   _O18    41     1.26279   128.20200     0.38461
   42    40 S   OS   _O20    42     1.42763   109.36011   178.83198
   43    42 S   CT   _C11    43     1.43863   104.71853    20.65226
   44    43 S   HC   _H29    44     1.10002   106.42481    87.11805
   45    43 S   CM   _C4_    45     1.49590   110.19278  -155.06014
   46    45 S   HC   _H24    46     1.08824   115.84920    -2.49434
   47    39 S   CT   _C13    55     1.50147   121.92063    63.10604
   48    47 S   HC   _H31    56     1.09917   107.72927   -81.87602
   49    45 S   CM   _C5_    47     1.34835   124.94508   179.51908
   50    49 S   CT   _C12    48     1.52716   122.65099     0.32325
   51    50 S   HC   _H30    49     1.10112   106.29547    66.12069
   52    49 S   CT   _C17    76     1.50763   118.19050   175.67251
   53    52 S   HC   _H34    77     1.09323   110.89740   112.75311
   54    52 S   HC   _H35    78     1.09599   112.19560    -6.59526
   55    52 S   HC   _H36    79     1.09434   110.78956  -125.63042
   56    50 S   CT   _C14    50     1.55296   117.07971   -55.13660
   57    56 S   HC   _H32    51     1.10125   107.74334   -49.67381
   58    56 S   CT   _C9_    52     1.53797   116.29487    69.39210
   59    58 S   HC   _H25    53     1.09644   107.70978   175.53625
   60    58 S   HC   _H26    54     1.09695   110.58871    59.20928
   61    56 S   CT   _C16    57     1.56389   104.32149  -164.31354
   62    61 S   CT   _C10    58     1.54265   105.91731    13.88424
   63    62 S   HC   _H27    59     1.09692   110.62203  -101.94804
   64    62 S   HC   _H28    60     1.09486   111.83922   136.85997
   65    61 S   CT   _C19    70     1.52984   116.54474  -108.82369
   66    65 S   HC   _H40    71     1.09443   111.53446   -64.59903
   67    65 S   HC   _H41    72     1.09655   110.54390   177.83337
   68    65 S   HC   _H42    73     1.09462   111.81384    57.55616
   69    61 S   OH   _O21    74     1.43097   107.20568   129.97895
   70    69 S   HO   _H45    75     0.97339   108.43224   173.09459
   71    50 S   CT   _C15    61     1.54845   116.43978  -175.02921
   72    71 S   HC   _H33    62     1.09598   111.87354   -65.61505
   73    71 S   OS   _O22    63     1.44197   110.60623    58.48214
   74    73 S   CO4  _C8_    64     1.36231   116.98044  -163.78832
   75    74 S   O    _O19    65     1.22313   126.39230     0.57675
   76    74 S   CT   _C18    66     1.49817   109.45111  -179.42665
   77    76 S   HC   _H37    67     1.09291   109.81843   -61.17823
   78    76 S   HC   _H38    68     1.09375   109.36950   179.74821
   79    76 S   HC   _H39    69     1.09296   109.80913    60.70891
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4   9   4
  14  20   9   5   2   1   1  17   8   7   2   1  12  12   6   5
   6   3   2   1   2   1   5   2   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    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    58    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    56    58    59    60    47    48  
   41    42    43    44    45    58    47    48  
   42    43    47  
   43    44    45    46    49    58    47    48  
   44    45    46    49    50    56    58    59    60    47    48    52  
   45    46    49    58    47    48  
   46    49    50    51    56    58    47    48    71    52    53    54    55  
   49    50    47    52  
   48    61    49    50    56    57    58    59    60  
   56    58    59    60  
   50    51    56    57    58    61    62    71    72    73    52    53    54    55  
   51    56    57    58    59    60    61    62    63    64    71    72    73    74    65    69    52    53    54    55  
   56    57    58    61    62    71    72    73    52  
   53    54    55    56    71  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    64    71    72    73    65    66    67    68    69    70  
   58    59    60    61    62    71    65    69  
   59    60    61    62    71    65    69  
   60    61  
   61  
   62    63    64    71    72    73    65    66    67    68    69    70  
   63    64    71    72    73    74    65    66    67    68    69    70  
   64    71    72    73    65    69  
   71    72    73    65    69  
   66    67    68    69    70    71  
   67    68    69  
   68    69  
   69  
   70    71  
    0  
   72    73    74    75    76  
   73    74  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    71   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    47   268.000  1.529
   47    48   340.000  1.090
   61    62   268.000  1.529
   61    65   268.000  1.529
   61    69   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    58    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    58    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    71    70.00000  112.02700
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    58.35000  112.70000
   50    56    61    58.35000  112.70000
   50    71    62    58.35000  112.70000
   50    71    72    37.50000  110.70000
   50    71    73    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    47    58.35000  112.70000
   56    61    62    58.35000  112.70000
   56    61    65    58.35000  112.70000
   56    61    69    50.00000  109.50000
   58    56    57    37.50000  110.70000
   58    47    48    37.50000  110.70000
   60    58    59    33.00000  107.80000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    58    59    37.50000  110.70000
   47    58    60    37.50000  110.70000
   61    56    57    37.50000  110.70000
   61    56    58    58.35000  112.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    71    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    70    55.00000  108.50000
   62    71    72    37.50000  110.70000
   62    71    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   71    50    51    37.50000  110.70000
   71    50    56    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   71    73    74    83.00000  116.90000
   73    71    72    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   65    61    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    50.00000  109.50000
   69    61    65    50.00000  109.50000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    58   0.46850  1.0 1.0
   33    39    47    58   0.08550 -1.0 2.0
   33    39    47    58   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    58   0.09850  1.0 1.0
   40    39    47    58   0.15250 -1.0 2.0
   40    39    47    58  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    58   0.62750  1.0 1.0
   42    43    47    58  -0.30950 -1.0 2.0
   42    43    47    58   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    58   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    58   0.34400  1.0 1.0
   45    43    47    58   0.09450 -1.0 2.0
   45    43    47    58   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    71   0.09850  1.0 1.0
   45    49    50    71   0.15250 -1.0 2.0
   45    49    50    71  -0.50650  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.34400  1.0 1.0
   49    50    56    58   0.09450 -1.0 2.0
   49    50    56    58   0.11100  1.0 3.0
   49    50    56    61   0.34400  1.0 1.0
   49    50    56    61   0.09450 -1.0 2.0
   49    50    56    61   0.11100  1.0 3.0
   49    50    71    62   0.34400  1.0 1.0
   49    50    71    62   0.09450 -1.0 2.0
   49    50    71    62   0.11100  1.0 3.0
   49    50    71    72   0.15000  1.0 3.0
   49    50    71    73   0.61850  1.0 1.0
   49    50    71    73  -0.22750 -1.0 2.0
   49    50    71    73   0.15300  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    58    59   0.15000  1.0 3.0
   50    56    58    60   0.15000  1.0 3.0
   50    56    58    47   0.56750  1.0 1.0
   50    56    58    47  -0.07550 -1.0 2.0
   50    56    58    47   0.20000  1.0 3.0
   50    56   -61    62   0.56750  1.0 1.0
   50    56   -61    62  -0.07550 -1.0 2.0
   50    56   -61    62   0.20000  1.0 3.0
   50    56    61    65   0.56750  1.0 1.0
   50    56    61    65  -0.07550 -1.0 2.0
   50    56    61    65   0.20000  1.0 3.0
   50    56    61    69   0.86500  1.0 1.0
   50    56    61    69  -0.17500 -1.0 2.0
   50    56    61    69   0.20800  1.0 3.0
   50    71    73    74  -0.25900  1.0 1.0
   50    71    73    74  -0.47000 -1.0 2.0
   50    71    73    74   0.11750  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   51    50    71    62   0.15000  1.0 3.0
   51    50    71    72   0.15000  1.0 3.0
   51    50    71    73   0.23400  1.0 3.0
   56    50   -71    62   0.56750  1.0 1.0
   56    50   -71    62  -0.07550 -1.0 2.0
   56    50   -71    62   0.20000  1.0 3.0
   56    50    71    72   0.15000  1.0 3.0
   56    50    71    73   0.62750  1.0 1.0
   56    50    71    73  -0.30950 -1.0 2.0
   56    50    71    73   0.27300  1.0 3.0
   56    58    47    39   0.34400  1.0 1.0
   56    58    47    39   0.09450 -1.0 2.0
   56    58    47    39   0.11100  1.0 3.0
   56    58    47    43   0.56750  1.0 1.0
   56    58    47    43  -0.07550 -1.0 2.0
   56    58    47    43   0.20000  1.0 3.0
   56    58    47    48   0.15000  1.0 3.0
   56    61    62    63   0.15000  1.0 3.0
   56    61    62    64   0.15000  1.0 3.0
   56    61   -62    71   0.56750  1.0 1.0
   56    61   -62    71  -0.07550 -1.0 2.0
   56    61   -62    71   0.20000  1.0 3.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    68   0.15000  1.0 3.0
   56    61    69    70  -0.11600  1.0 1.0
   56    61    69    70  -0.09450 -1.0 2.0
   56    61    69    70   0.21250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    47   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   57    56    61    69   0.23400  1.0 3.0
   58    56    61    62   0.56750  1.0 1.0
   58    56    61    62  -0.07550 -1.0 2.0
   58    56    61    62   0.20000  1.0 3.0
   58    56    61    65   0.56750  1.0 1.0
   58    56    61    65  -0.07550 -1.0 2.0
   58    56    61    65   0.20000  1.0 3.0
   58    56    61    69   0.86500  1.0 1.0
   58    56    61    69  -0.17500 -1.0 2.0
   58    56    61    69   0.20800  1.0 3.0
   59    58    47    39   0.15000  1.0 3.0
   59    58    47    43   0.15000  1.0 3.0
   59    58    47    48   0.15000  1.0 3.0
   60    58    47    39   0.15000  1.0 3.0
   60    58    47    43   0.15000  1.0 3.0
   60    58    47    48   0.15000  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    47   0.56750  1.0 1.0
   61    56    58    47  -0.07550 -1.0 2.0
   61    56    58    47   0.20000  1.0 3.0
   61    62   -71    50   0.56750  1.0 1.0
   61    62   -71    50  -0.07550 -1.0 2.0
   61    62   -71    50   0.20000  1.0 3.0
   61    62    71    72   0.15000  1.0 3.0
   61    62    71    73   0.62750  1.0 1.0
   61    62    71    73  -0.30950 -1.0 2.0
   61    62    71    73   0.27300  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    69    70  -0.11600  1.0 1.0
   62    61    69    70  -0.09450 -1.0 2.0
   62    61    69    70   0.21250  1.0 3.0
   62    71    73    74  -0.25900  1.0 1.0
   62    71    73    74  -0.47000 -1.0 2.0
   62    71    73    74   0.11750  1.0 3.0
   63    62    71    50   0.15000  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.23400  1.0 3.0
   64    62    71    50   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.23400  1.0 3.0
   71    50    56    57   0.15000  1.0 3.0
   71    50    56    58   0.56750  1.0 1.0
   71    50    56    58  -0.07550 -1.0 2.0
   71    50    56    58   0.20000  1.0 3.0
   71    50   -56    61   0.56750  1.0 1.0
   71    50   -56    61  -0.07550 -1.0 2.0
   71    50   -56    61   0.20000  1.0 3.0
   71    73    74    75   3.00000 -1.0 2.0
   71    73    74    76   1.63150  1.0 1.0
   71    73    74    76   2.92000 -1.0 2.0
   72    71    73    74   0.08050  1.0 3.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.00000  1.0 1.0
   73    74    76    79   0.00000  1.0 1.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   65    61    62    63   0.15000  1.0 3.0
   65    61    62    64   0.15000  1.0 3.0
   65    61    62    71   0.56750  1.0 1.0
   65    61    62    71  -0.07550 -1.0 2.0
   65    61    62    71   0.20000  1.0 3.0
   65    61    69    70  -0.11600  1.0 1.0
   65    61    69    70  -0.09450 -1.0 2.0
   65    61    69    70   0.21250  1.0 3.0
   69    61    62    63   0.23400  1.0 3.0
   69    61    62    64   0.23400  1.0 3.0
   69    61    62    71   0.86500  1.0 1.0
   69    61    62    71  -0.17500 -1.0 2.0
   69    61    62    71   0.20800  1.0 3.0
   69    61    65    66   0.23400  1.0 3.0
   69    61    65    67   0.23400  1.0 3.0
   69    61    65    68   0.23400  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    71   0.46850  1.0 1.0
   52    49    50    71   0.08550 -1.0 2.0
   52    49    50    71   0.09800  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
END
