* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    229     435
    1     0 S   NP   _N1_     1    29.13332    92.24315   -20.41828
    2     1 S   H    _HN1     2     1.02784    87.22406   -82.75976
    3     1 S   H    _H1_     3     1.02960   103.32289    25.35331
    4     1 S   H    _H2_     4     1.02838    23.98982   127.37385
    5     1 S   CT   _CA1     5     1.50183   131.94162   159.49239
    6     5 S   HC   _HA1     6     1.09574   105.18148    46.22019
    7     5 S   CO3  _C1_     7     1.53813   112.48310   -73.84528
    8     7 S   O2Z  _O11     8     1.26402   115.05286   -40.48131
    9     7 S   O2Z  _O12     9     1.26225   114.96926   138.66576
   10     5 S   CT   _CB1    10     1.53092   107.34956   164.08335
   11    10 S   HC   HB11    11     1.09820   109.25282   -49.98607
   12    10 S   HC   HB12    12     1.09844   110.35402    66.48970
   13    10 S   CT   _CG1    13     1.53074   112.87341  -171.19507
   14    13 S   HC   HG11    14     1.09587   110.23955   -63.29826
   15    13 S   HC   HG12    15     1.09622   110.22930    55.98780
   16    13 S   C    _CD1    16     1.51823   112.08980   176.09174
   17    16 S   O    _OE1    17     1.22741   123.12399   -12.00920
   18    16 S   N    _N2_    18     1.38611   111.91704   168.64745
   19    18 S   H    _HN2    19     1.01567   119.13231     3.50822
   20    18 S   CT1  _CA2    20     1.46222   123.27078  -176.65719
   21    20 S   HC   _HA2    21     1.09605   109.11858    -0.03956
   22    20 S   C    _C2_    22     1.53395   108.98558  -115.57427
   23    22 S   O    _O2_    23     1.23046   122.11242  -145.46354
   24    20 S   CT   _CB2    32     1.53512   111.44299   121.83662
   25    24 S   HC   HB21    33     1.09649   109.60159    62.27153
   26    24 S   HC   HB22    34     1.09561   111.26486  -180.00000
   27    22 S   N    _N3_    24     1.38468   113.58620    41.98271
   28    27 S   H    _HN3    25     1.01488   119.01726    -0.31153
   29    24 S   S    _SG2    35     1.82651   113.48297   -56.89808
   30    27 S   CT   _CA3    26     1.45442   123.33050   174.98089
   31    30 S   HC   HA31    27     1.09531   109.12366    26.98266
   32    30 S   HC   HA32    28     1.09493   107.16045   143.98006
   33    29 S   CT   _C22    36     1.82602    99.96281   -77.25978
   34    33 S   HC   _H3_    37     1.09435   110.94525    32.06933
   35    33 S   HC   _H4_    38     1.09453   108.09494   -84.19888
   36    30 S   CO3  _C3_    29     1.52935   113.15251   -96.40218
   37    36 S   O2Z  _O31    30     1.26398   115.42586   -44.16200
   38    36 S   O2Z  _O32    31     1.26357   114.96934   136.75585
   39    33 S   CM   _C12    39     1.51933   109.48194   153.01646
   40    39 S   CMA  _C13    40     1.36517   123.26247    96.81517
   41    40 S   OM   _O20    41     1.26846   125.72908     2.26088
   42    39 S   CT   _C19    78     1.51619   113.26346   -83.79663
   43    42 S   HC   _H37    79     1.09535   110.15465   -50.02164
   44    42 S   HC   _H38    80     1.09426   110.25993    69.76735
   45    42 S   HC   _H39    81     1.09341   113.81822  -169.38900
   46    40 S   OS   _O26    42     1.41733   111.84816  -178.93064
   47    46 S   CT   _C15    43     1.45745   115.52266   123.24061
   48    47 S   HC   _H34    44     1.09840   110.63822    28.22863
   49    47 S   CM   _C5_    45     1.53042   105.06757   -87.26468
   50    49 S   HC   _H29    46     1.09295   109.95970    49.57222
   51    47 S   CT   _C16    59     1.55482   105.27731   144.62838
   52    51 S   HC   _H35    60     1.09601   108.40497    61.48676
   53    49 S   CM   _C6_    47     1.35073   136.23496  -130.92018
   54    51 S   CM   _C8_    61     1.50009   113.60102   -57.83611
   55    53 S   CM   _C7_    48     1.44136   124.43511    -5.05412
   56    54 S   CO4  _C10    62     1.46985   110.34253  -105.31672
   57    56 S   O    _O22    63     1.21745   127.25143   171.38099
   58    54 S   CM   _C11    65     1.33687   128.48965    79.31958
   59    58 S   HC   _H30    66     1.08499   120.79817    -2.54760
   60    58 S   HC   _H31    67     1.08491   121.88315   177.78097
   61    53 S   CT   _C21    73     1.51303   119.85208   179.59652
   62    61 S   HC   _H43    74     1.09529   111.37355   120.76245
   63    61 S   HC   _H44    75     1.09581   111.88672     0.45067
   64    55 S   CM   _C4_    49     1.33269   125.51272  -116.40143
   65    64 S   HC   _H28    50     1.07390   131.00445    -3.45536
   66    80 S   OS   _O24    64     1.44477   108.22980  -167.58227
   67    61 S   OH   _O25    76     1.42327   109.53006  -118.88242
   68    67 S   HO   _H47    77     0.97637   106.43372   171.66999
   69    64 S   CO4  _C9_    51     1.45703   101.16469   166.16409
   70    69 S   O    _O21    52     1.22068   123.49282   176.61864
   71    69 S   CT   _C18    53     1.50989   110.07555    -6.33636
   72    71 S   CT   _C14    54     1.54401   111.58137   -99.90509
   73    72 S   HC   _H32    55     1.09809   109.83280   -45.85627
   74    72 S   HC   _H33    56     1.09856   109.55191  -160.75173
   75    55 S   OS   _O23    68     1.38923   116.45964    58.28302
   76    71 S   CT   _C20    69     1.52109   110.96450   133.53217
   77    76 S   HC   _H40    70     1.09553   110.79056  -170.82213
   78    76 S   HC   _H41    71     1.09490   111.54174    67.90765
   79    76 S   HC   _H42    72     1.09626   111.01184   -52.58107
   80    72 S   CT   _C17    57     1.54738   114.56520    77.77236
   81    80 S   HC   _H36    58     1.09301   110.48480   -53.25929
  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   8  10   3   4   2   1   1   9  15   7
  13   4  15   7  11   9  12   8   3   4   1   1   6   3   2   7
   4   6   1   1  11   4  10   9   5   4   5   4   2   1   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    51    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    53    80    51    52    54  
   48    49    50    53    55    72    80    81    51    52    54    56    66    58    61  
   49    50    53    80    51    52    54  
   50    53    55    64    80    51    52    54    75    61    62    63    67  
   53    55    51    61  
   52    54    56    57    66    58    59    60    53    71    72    73    74    80    81  
   54    56    66    58    72    80    81  
   55    64    65    69    71    75    61    62    63    67    68  
   56    57    66    58    59    60    72    80    81  
   64    65    69    70    71    72    75    76    61    62    63    67  
   57    66    58    59    60    72    80    81  
   66    58    80  
   59    60    66    80  
   60  
    0  
   62    63    67    68    64    75  
   63    67    68  
   67    68  
   65    69    70    71    72    75    76  
   69    70    71    75  
   71    72    73    74    80    81  
   68  
    0  
   70    71    72    73    74    80    75    76    77    78    79  
   71    72    75    76  
   72    73    74    80    81    75    76    77    78    79  
   73    74    80    81    75    76    77    78    79  
   74    80    81    75    76  
   80    81    75    76  
   76    77    78    79    80  
   77    78    79    80  
   78    79  
   79  
    0  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   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    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    51   268.000  1.529
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    55   380.000  1.444
   53    61   317.000  1.510
   55    64   549.000  1.340
   55    75   440.000  1.360
   64    65   340.000  1.080
   64    69   320.000  1.462
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   268.000  1.529
   71    75   320.000  1.410
   71    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    80   268.000  1.529
   80    81   340.000  1.090
   80    51   268.000  1.529
   80    66   320.000  1.410
   51    52   340.000  1.090
   51    54   317.000  1.510
   54    56   320.000  1.462
   54    58   549.000  1.340
   56    57   570.000  1.229
   56    66   214.000  1.327
   58    59   340.000  1.080
   58    60   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    68   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    42    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    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    85.00000  110.90400
   46    47    51    50.00000  109.50000
   47    49    50    35.00000  117.00000
   47    49    53    70.00000  124.00000
   47    51    80    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    51    54    70.00000  112.02700
   49    47    48    35.00000  109.50000
   49    53    55    70.00000  123.01800
   49    53    61    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    55    64    70.00000  123.01800
   53    55    75    80.00000  120.01400
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    67    90.00000  110.39200
   55    64    65    35.00000  120.00000
   55    64    69    65.00000  118.96000
   55    75    71    90.00000  111.18400
   64    69    70    80.00000  123.72100
   64    69    71    65.00000  118.62400
   69    64    65    40.00000  117.72500
   69    71    72    63.00000  111.10000
   69    71    75    90.00000  108.74100
   69    71    76    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    80    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   72    80    81    37.50000  110.70000
   72    80    51    58.35000  112.70000
   72    80    66    50.00000  109.50000
   74    72    73    33.00000  107.80000
   80    72    73    37.50000  110.70000
   80    72    74    37.50000  110.70000
   80    51    52    37.50000  110.70000
   80    51    54    70.00000  112.02700
   80    66    56    83.00000  116.90000
   51    47    48    37.50000  110.70000
   51    47    49    70.00000  112.02700
   51    80    81    37.50000  110.70000
   51    54    56    65.00000  116.34900
   51    54    58    70.00000  124.00000
   54    51    52    35.00000  109.50000
   54    56    57    80.00000  123.72100
   54    56    66    90.00000  111.29400
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   66    80    81    35.00000  109.50000
   66    80    51    50.00000  109.50000
   66    56    57    83.00000  123.40000
   58    54    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   75    55    64    80.00000  120.01400
   75    71    72    50.00000  109.50000
   76    71    72    58.35000  112.70000
   76    71    75    50.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    53    55    70.00000  124.00000
   61    67    68    55.00000  108.50000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.48150  1.0 1.0
   40    46    47    49   0.09250 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    51  -0.46850  1.0 1.0
   40    46    47    51   0.09300 -1.0 2.0
   40    46    47    51  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.00000  1.0 1.0
   46    47    49    53   0.39000  1.0 1.0
   46    47    49    53  -0.05800 -1.0 2.0
   46    47    49    53  -0.55150  1.0 3.0
   46    47    51    80   0.62750  1.0 1.0
   46    47    51    80  -0.30950 -1.0 2.0
   46    47    51    80   0.27300  1.0 3.0
   46    47    51    52   0.23400  1.0 3.0
   46    47    51    54   0.61850  1.0 1.0
   46    47    51    54  -0.22750 -1.0 2.0
   46    47    51    54   0.15300  1.0 3.0
   47    49    53    55   7.00000 -1.0 2.0
   47    49    53    61   7.00000 -1.0 2.0
   47    51    54    56   0.09700  1.0 1.0
   47    51    54    56   0.15600 -1.0 2.0
   47    51    54    56  -0.50800  1.0 3.0
   47    51    54    58   0.09850  1.0 1.0
   47    51    54    58   0.15250 -1.0 2.0
   47    51    54    58  -0.50650  1.0 3.0
   48    47    49    50   0.33100  1.0 3.0
   48    47    49    53   0.00000  1.0 1.0
   48    47    51    80   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    80   0.34400  1.0 1.0
   49    47    51    80   0.09450 -1.0 2.0
   49    47    51    80   0.11100  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    54   0.31000  1.0 1.0
   49    47    51    54   0.14700 -1.0 2.0
   49    47    51    54   0.07550  1.0 3.0
   49    53    55    64   0.28850  1.0 1.0
   49    53    55    64   2.61350 -1.0 2.0
   49    53    55    64   0.78400  1.0 3.0
   49    53    55    75  -0.51250  1.0 1.0
   49    53    55    75   1.23350 -1.0 2.0
   49    53    61    62   0.00000  1.0 1.0
   49    53    61    63   0.00000  1.0 1.0
   49    53    61    67   0.67800  1.0 1.0
   49    53    61    67   0.47050 -1.0 2.0
   49    53    61    67  -0.62500  1.0 3.0
   50    49    53    55   7.00000 -1.0 2.0
   50    49    53    61   7.00000 -1.0 2.0
   53    55    64    65   7.00000 -1.0 2.0
   53    55    64    69   7.00000 -1.0 2.0
   53    55    75    71  -2.26850  1.0 1.0
   53    55    75    71   3.39050 -1.0 2.0
   53    61    67    68  -0.07800  1.0 1.0
   53    61    67    68  -0.21500 -1.0 2.0
   53    61    67    68  -0.03150  1.0 3.0
   55    53    61    62   0.00000  1.0 1.0
   55    53    61    63   0.00000  1.0 1.0
   55    53    61    67  -0.17300  1.0 1.0
   55    53    61    67   0.35150 -1.0 2.0
   55    53    61    67   0.31550  1.0 3.0
   55    64    69    70   1.00000 -1.0 2.0
   55    64   -69    71  -0.33500  1.0 1.0
   55    64   -69    71   1.06600 -1.0 2.0
   55    64   -69    71  -0.14000  1.0 3.0
   64    55   -75    71  -2.26850  1.0 1.0
   64    55   -75    71   3.39050 -1.0 2.0
   64    69    71    72   0.65300  1.0 1.0
   64    69    71    72  -0.03850 -1.0 2.0
   64    69    71    72   0.33900  1.0 3.0
   64    69   -71    75   0.65300  1.0 1.0
   64    69   -71    75  -0.03850 -1.0 2.0
   64    69   -71    75   0.33900  1.0 3.0
   64    69    71    76   0.65300  1.0 1.0
   64    69    71    76  -0.03850 -1.0 2.0
   64    69    71    76   0.33900  1.0 3.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.04550  1.0 1.0
   65    64    69    71   0.83000 -1.0 2.0
   65    64    69    71  -0.04000  1.0 3.0
   69    71    72    73  -0.11250  1.0 3.0
   69    71    72    74  -0.11250  1.0 3.0
   69    71    72    80  -0.95700  1.0 1.0
   69    71    72    80  -0.18200 -1.0 2.0
   69    71    72    80   0.29450  1.0 3.0
   69    71   -75    55  -0.48150  1.0 1.0
   69    71   -75    55   0.09250 -1.0 2.0
   69    71   -75    55  -0.12850  1.0 3.0
   69    71    76    77  -0.11250  1.0 3.0
   69    71    76    78  -0.11250  1.0 3.0
   69    71    76    79  -0.11250  1.0 3.0
   70    69    71    72   0.30150 -1.0 2.0
   70    69    71    75   0.30150 -1.0 2.0
   70    69    71    76   0.30150 -1.0 2.0
   71    72    80    81   0.15000  1.0 3.0
   71    72    80    51   0.56750  1.0 1.0
   71    72    80    51  -0.07550 -1.0 2.0
   71    72    80    51   0.20000  1.0 3.0
   71    72    80    66   0.62750  1.0 1.0
   71    72    80    66  -0.30950 -1.0 2.0
   71    72    80    66   0.27300  1.0 3.0
   72    71    75    55  -0.46850  1.0 1.0
   72    71    75    55   0.09300 -1.0 2.0
   72    71    75    55  -0.12850  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   72    80    51    47   0.56750  1.0 1.0
   72    80    51    47  -0.07550 -1.0 2.0
   72    80    51    47   0.20000  1.0 3.0
   72    80    51    52   0.15000  1.0 3.0
   72    80    51    54   0.34400  1.0 1.0
   72    80    51    54   0.09450 -1.0 2.0
   72    80    51    54   0.11100  1.0 3.0
   72    80    66    56  -0.25900  1.0 1.0
   72    80    66    56  -0.47000 -1.0 2.0
   72    80    66    56   0.11750  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    51   0.15000  1.0 3.0
   73    72    80    66   0.23400  1.0 3.0
   74    72    80    81   0.15000  1.0 3.0
   74    72    80    51   0.15000  1.0 3.0
   74    72    80    66   0.23400  1.0 3.0
   80    51   -54    56   0.09700  1.0 1.0
   80    51   -54    56   0.15600 -1.0 2.0
   80    51   -54    56  -0.50800  1.0 3.0
   80    51    54    58   0.09850  1.0 1.0
   80    51    54    58   0.15250 -1.0 2.0
   80    51    54    58  -0.50650  1.0 3.0
   81    80    51    47   0.15000  1.0 3.0
   81    80    51    52   0.15000  1.0 3.0
   81    80    51    54   0.15000  1.0 3.0
   81    80    66    56   0.08050  1.0 3.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    53   0.09850  1.0 1.0
   51    47    49    53   0.15250 -1.0 2.0
   51    47    49    53  -0.50650  1.0 3.0
   51    80   -66    56  -0.25900  1.0 1.0
   51    80   -66    56  -0.47000 -1.0 2.0
   51    80   -66    56   0.11750  1.0 3.0
   51    54    56    57  -0.64400  1.0 1.0
   51    54    56    57   0.26850 -1.0 2.0
   51    54   -56    66  -0.15000  1.0 1.0
   51    54   -56    66   0.89550 -1.0 2.0
   51    54   -56    66  -0.06900  1.0 3.0
   51    54    58    59   7.00000 -1.0 2.0
   51    54    58    60   7.00000 -1.0 2.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.00000  1.0 1.0
   54    56   -66    80   2.00000 -1.0 2.0
   56    54    58    59   7.00000 -1.0 2.0
   56    54    58    60   7.00000 -1.0 2.0
   57    56    66    80   3.00000 -1.0 2.0
   66    80    51    47   0.62750  1.0 1.0
   66    80    51    47  -0.30950 -1.0 2.0
   66    80    51    47   0.27300  1.0 3.0
   66    80    51    52   0.23400  1.0 3.0
   66    80   -51    54   0.61850  1.0 1.0
   66    80   -51    54  -0.22750 -1.0 2.0
   66    80   -51    54   0.15300  1.0 3.0
   58    54    56    57   1.00000 -1.0 2.0
   58    54    56    66  -0.56150  1.0 1.0
   58    54    56    66   2.19150 -1.0 2.0
   75    55    64    65   7.00000 -1.0 2.0
   75    55   -64    69   7.00000 -1.0 2.0
   75    71    72    73   0.23400  1.0 3.0
   75    71    72    74   0.23400  1.0 3.0
   75    71    72    80   0.62750  1.0 1.0
   75    71    72    80  -0.30950 -1.0 2.0
   75    71    72    80   0.27300  1.0 3.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   0.23400  1.0 3.0
   76    71    72    73   0.15000  1.0 3.0
   76    71    72    74   0.15000  1.0 3.0
   76    71    72    80   0.56750  1.0 1.0
   76    71    72    80  -0.07550 -1.0 2.0
   76    71    72    80   0.20000  1.0 3.0
   76    71    75    55  -0.46850  1.0 1.0
   76    71    75    55   0.09300 -1.0 2.0
   76    71    75    55  -0.12850  1.0 3.0
   61    53    55    64  -0.18600  1.0 3.0
   61    53    55    75   1.08500 -1.0 2.0
   62    61    67    68   0.19450  1.0 3.0
   63    61    67    68   0.19450  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
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    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   47    50    49    53   1.10000 -1.0 2.0
   55    61    53    49   1.10000 -1.0 2.0
   53    75    55    64   1.10000 -1.0 2.0
   69    65    64    55   1.10000 -1.0 2.0
   64    71    69    70  10.50000 -1.0 2.0
   51    56    54    58   1.10000 -1.0 2.0
   54    66    56    57  10.50000 -1.0 2.0
   59    60    58    54   1.10000 -1.0 2.0
END
