* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    142    215     412
    1     0 S   NP   _N1_     1    28.62236    95.92584   -23.50172
    2     1 S   H    _HN1     2     1.02789   105.16481   -96.10286
    3     1 S   H    _H1_     3     1.02949    74.57465     9.20392
    4     1 S   H    _H2_     4     1.02827    35.69387   164.20483
    5     1 S   CT   _CA1     5     1.50121   137.56342   112.73953
    6     5 S   HC   _HA1     6     1.09573   105.18545    88.46535
    7     5 S   CO3  _C1_     7     1.53784   112.48071   -31.77602
    8     7 S   O2Z  _O11     8     1.26376   115.00417   -42.07385
    9     7 S   O2Z  _O12     9     1.26240   114.94791   137.03775
   10     5 S   CT   _CB1    10     1.53072   107.41455  -153.53180
   11    10 S   HC   HB11    11     1.09836   109.37319   -49.42235
   12    10 S   HC   HB12    12     1.09812   110.44672    67.18654
   13    10 S   CT   _CG1    13     1.52999   112.61755  -170.37688
   14    13 S   HC   HG11    14     1.09577   110.67765   -66.12749
   15    13 S   HC   HG12    15     1.09670   109.74966    53.11552
   16    13 S   C    _CD1    16     1.51800   112.14364   173.60175
   17    16 S   O    _OE1    17     1.22741   123.24604     9.11020
   18    16 S   N    _N2_    18     1.38634   111.72482  -170.97679
   19    18 S   H    _HN2    19     1.01579   118.97519     1.52058
   20    18 S   CT1  _CA2    20     1.46254   123.43966   177.43036
   21    20 S   HC   _HA2    21     1.09735   109.34303     5.69512
   22    20 S   C    _C2_    22     1.53617   108.62877  -109.83232
   23    22 S   O    _O2_    23     1.23054   122.32385  -147.76847
   24    20 S   CT   _CB2    32     1.53421   111.50868   127.68519
   25    24 S   HC   HB21    33     1.09477   109.54499    57.08203
   26    24 S   HC   HB22    34     1.09442   109.85394   175.91256
   27    22 S   N    _N3_    24     1.38349   113.76737    39.67849
   28    27 S   H    _HN3    25     1.01556   119.60944    -3.14311
   29    24 S   S    _SG2    35     1.83290   111.09672   -64.16228
   30    27 S   CT   _CA3    26     1.45281   123.23289   177.24366
   31    30 S   HC   HA31    27     1.09548   107.50168   -65.00725
   32    30 S   HC   HA32    28     1.09555   108.00364    51.44381
   33    29 S   CT   _C17    36     1.86493   101.24571   174.77108
   34    30 S   CO3  _C3_    29     1.52968   114.06396   173.45384
   35    34 S   O2Z  _O31    30     1.26379   116.07583    -0.45542
   36    34 S   O2Z  _O32    31     1.26427   114.41447   179.60485
   37    33 S   CM   _C10    37     1.50014   108.17042    62.71709
   38    37 S   HC   _H28    38     1.09338   114.33877    55.87753
   39    33 S   CO4  _C12    51     1.52345   107.44555   -60.86451
   40    39 S   O    _O22    52     1.23029   122.30940   -54.00130
   41    33 S   CT   _C21    53     1.55228   106.83996  -177.95445
   42    41 S   HC   _H40    54     1.09976   110.02407    58.57539
   43    41 S   HC   _H41    55     1.09657   110.59392   -57.13124
   44    37 S   CMA  _C11    39     1.35197   128.92681  -125.01833
   45    44 S   OM   _O21    40     1.26695   124.63851  -179.71196
   46    41 S   CM   _C13    56     1.51105   113.97778   177.68793
   47    46 S   HC   _H29    57     1.08974   114.07711   -75.46774
   48    44 S   CA   _C8_    41     1.51089   114.28680     0.05935
   49    46 S   CM   _C15    58     1.34754   128.09917   106.08583
   50    48 S   CA   _C6_    42     1.41433   120.06003  -177.02145
   51    50 S   HA   _H26    43     1.08863   120.84836     0.47560
   52    49 S   CT   _C18    59     1.50407   124.80079    -2.73438
   53    52 S   HC   _H31    60     1.09383   110.53109   114.64962
   54    52 S   HC   _H32    61     1.09533   110.06242  -125.74719
   55    52 S   HC   _H33    62     1.09192   113.51578    -6.25169
   56    49 S   CT   _C23    63     1.51810   119.93205   179.56165
   57    56 S   HC   _H44    64     1.09773   108.55506   131.51241
   58    56 S   HC   _H45    65     1.09844   110.55389    16.52304
   59    50 S   CA   _C4_    44     1.39809   122.05018  -179.49565
   60    59 S   HA   _H24    45     1.08618   119.86774   179.97202
   61    56 S   CT   _C22    66     1.53466   113.84912  -106.96622
   62    61 S   HC   _H42    67     1.09318   110.48019   -57.49357
   63    61 S   HC   _H43    68     1.09763   108.28310  -172.46014
   64    59 S   CA   _C5_    46     1.38717   119.97145     0.03956
   65    64 S   HA   _H25    47     1.08578   120.25492   179.96574
   66    61 S   CM   _C14    69     1.50482   112.43999    69.18097
   67    66 S   HC   _H30    70     1.08979   113.84690    67.31643
   68    64 S   CA   _C7_    48     1.39097   119.53328    -0.09065
   69    68 S   HA   _H27    49     1.08729   118.43270  -179.84174
   70    66 S   CM   _C16    71     1.34664   128.24480  -112.93636
   71    48 S   CA   _C9_    50     1.40482   123.26511     3.39719
   72    70 S   CT   _C19    72     1.50607   120.32943  -179.83568
   73    72 S   HC   _H34    73     1.09496   110.23609   120.51152
   74    72 S   HC   _H35    74     1.09512   112.44243     0.41496
   75    72 S   HC   _H36    75     1.09500   110.23955  -119.67215
   76    70 S   CT   _C20    76     1.50226   125.45020     0.79377
   77    76 S   HC   _H37    77     1.09527   110.00301   120.69283
   78    76 S   HC   _H38    78     1.09511   110.04468  -120.06250
   79    76 S   HC   _H39    79     1.09118   113.74415     0.45885
  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  11   5   4   3
  15   2   1   1  12   5  12   4   9   4   3   7   3  10   3   8
  11   7   4   7   3   2   1   8   5   4   6   3   7   4   3   4
   3  10   3   2   1   8   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    71    39    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    48    68    71    39    40    41    42    43    46    47    49  
   35    36  
   36  
    0  
   38    44    45    48    50    71    39    40    41    42    43    46  
   44    45    48    39    41  
   40    41    42    43    46    44    48    50    64    68    69    71  
   41    48    68    71  
   42    43    46    47    49    52    56    44    71  
   43    46    47    49  
   46    47    49  
   45    48    50    51    59    68    71  
   48    50    71  
   47    49    52    53    54    55    56    57    58    61  
   49    52    56  
   50    51    59    60    64    68    69    71  
   52    53    54    55    56    57    58    61    62    63    66  
   51    59    60    64    65    68    71  
   59    60    64    71  
   53    54    55    56    57    58    61  
   54    55    56  
   55    56  
   56  
   57    58    61    62    63    66    67    70  
   58    61    62    63    66  
   61    62    63    66  
   60    64    65    68    69    71  
   64    65    68  
   62    63    66    67    70    72    76  
   63    66    67    70  
   66    67    70  
   65    68    69    71  
   68    69    71  
   67    70    72    73    74    75    76    77    78    79  
   70    72    76  
   69    71  
   71  
   72    73    74    75    76    77    78    79  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.120000   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   0.0700  -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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.522
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    44   465.000  1.376
   44    45   745.000  1.250
   44    48   320.000  1.460
   48    50   469.000  1.400
   48    71   469.000  1.400
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    39   310.000  1.470
   39    40   570.000  1.229
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.510
   46    47   340.000  1.080
   46    49   549.000  1.340
   49    52   317.000  1.510
   49    56   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   317.000  1.510
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    72   317.000  1.510
   70    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  110.18000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    44    70.00000  124.00000
   33    39    71    65.00000  115.47100
   33    39    40    80.00000  120.40000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    70.00000  112.02700
   37    44    45    65.00000  137.10300
   37    44    48    60.00000  123.20500
   44    37    38    40.00000  120.50800
   44    48    50    60.00000  120.93500
   44    48    71    60.00000  120.93500
   48    44    45    85.00000  114.86500
   48    50    51    35.00000  120.00000
   48    50    59    63.00000  120.00000
   48    71    68    63.00000  120.00000
   48    71    39    60.00000  119.52600
   50    59    60    35.00000  120.00000
   50    59    64    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    68    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    71    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    71    39    60.00000  119.52600
   71    48    50    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    39    40    75.00000  123.78400
   39    33    37    70.00000  109.06800
   41    33    37    70.00000  112.02700
   41    33    39    63.00000  111.10000
   41    46    47    35.00000  117.00000
   41    46    49    70.00000  124.00000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    49    52    70.00000  124.00000
   46    49    56    70.00000  124.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    61    70.00000  112.02700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    49    52    65.00000  117.92700
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    66    70.00000  112.02700
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    66    67    35.00000  117.00000
   61    66    70    70.00000  124.00000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    70    72    70.00000  124.00000
   66    70    76    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    39    71   0.65300  1.0 1.0
   29    33    39    71  -0.03850 -1.0 2.0
   29    33    39    71   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   33    41    46    47   0.00000  1.0 1.0
   33    41    46    49   0.09850  1.0 1.0
   33    41    46    49   0.15250 -1.0 2.0
   33    41    46    49  -0.50650  1.0 3.0
   37    33    39    71   0.65300  1.0 1.0
   37    33    39    71  -0.03850 -1.0 2.0
   37    33    39    71   0.33900  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    46   0.31000  1.0 1.0
   37    33    41    46   0.14700 -1.0 2.0
   37    33    41    46   0.07550  1.0 3.0
   37    44    48    50   0.15800  1.0 1.0
   37    44    48    50   1.85350 -1.0 2.0
   37    44    48    50  -0.48700  1.0 3.0
   37    44   -48    71   0.15800  1.0 1.0
   37    44   -48    71   1.85350 -1.0 2.0
   37    44   -48    71  -0.48700  1.0 3.0
   38    37    44    45   7.00000 -1.0 2.0
   38    37    44    48   7.00000 -1.0 2.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48    50    59   3.62500 -1.0 2.0
   44    48    71    68   3.62500 -1.0 2.0
   44    48    71    39   3.62500 -1.0 2.0
   45    44    48    50  -0.01750  1.0 1.0
   45    44    48    50  -0.32000 -1.0 2.0
   45    44    48    50   0.00600  1.0 3.0
   45    44    48    71  -0.01750  1.0 1.0
   45    44    48    71  -0.32000 -1.0 2.0
   45    44    48    71   0.00600  1.0 3.0
   48    50    59    60   3.62500 -1.0 2.0
   48    50    59    64   3.62500 -1.0 2.0
   48    71   -39    33   2.26350  1.0 1.0
   48    71   -39    33   0.76750 -1.0 2.0
   48    71   -39    33   0.22500  1.0 3.0
   48    71    39    40   1.05000 -1.0 2.0
   50    48    71    68   3.62500 -1.0 2.0
   50    48    71    39   3.62500 -1.0 2.0
   50    59    64    65   3.62500 -1.0 2.0
   50    59   -64    68   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    64   3.62500 -1.0 2.0
   59    64    68    69   3.62500 -1.0 2.0
   59    64    68    71   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    68   3.62500 -1.0 2.0
   64    68   -71    48   3.62500 -1.0 2.0
   64    68    71    39   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    71   3.62500 -1.0 2.0
   68    71    39    33   2.26350  1.0 1.0
   68    71    39    33   0.76750 -1.0 2.0
   68    71    39    33   0.22500  1.0 3.0
   68    71    39    40   1.05000 -1.0 2.0
   69    68    71    48   3.62500 -1.0 2.0
   69    68    71    39   3.62500 -1.0 2.0
   71    48    50    51   3.62500 -1.0 2.0
   71    48   -50    59   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    44  -0.51250  1.0 1.0
   39    33   -37    44  -0.88800 -1.0 2.0
   39    33   -37    44   0.08850  1.0 3.0
   39    33    41    42  -0.11250  1.0 3.0
   39    33    41    43  -0.11250  1.0 3.0
   39    33    41    46  -0.98800  1.0 1.0
   39    33    41    46   0.48800 -1.0 2.0
   39    33    41    46   0.76800  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    44   0.09850  1.0 1.0
   41    33    37    44   0.15250 -1.0 2.0
   41    33    37    44  -0.50650  1.0 3.0
   41    33    39    71   0.05850 -1.0 2.0
   41    33    39    71   0.17250  1.0 3.0
   41    33    39    40   0.30150 -1.0 2.0
   41    46    49    52   7.00000 -1.0 2.0
   41    46    49    56   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    49   0.00000  1.0 1.0
   43    41    46    47   0.33100  1.0 3.0
   43    41    46    49   0.00000  1.0 1.0
   46    49    52    53   0.00000  1.0 1.0
   46    49    52    54   0.00000  1.0 1.0
   46    49    52    55   0.00000  1.0 1.0
   46    49    56    57   0.00000  1.0 1.0
   46    49    56    58   0.00000  1.0 1.0
   46    49    56    61   0.09850  1.0 1.0
   46    49    56    61   0.15250 -1.0 2.0
   46    49    56    61  -0.50650  1.0 3.0
   47    46    49    52   7.00000 -1.0 2.0
   47    46    49    56   7.00000 -1.0 2.0
   49    56    61    62   0.15000  1.0 3.0
   49    56    61    63   0.15000  1.0 3.0
   49    56    61    66   0.31000  1.0 1.0
   49    56    61    66   0.14700 -1.0 2.0
   49    56    61    66   0.07550  1.0 3.0
   52    49    56    57   0.34800  1.0 3.0
   52    49    56    58   0.34800  1.0 3.0
   52    49    56    61   0.46850  1.0 1.0
   52    49    56    61   0.08550 -1.0 2.0
   52    49    56    61   0.09800  1.0 3.0
   56    49    52    53   0.34800  1.0 3.0
   56    49    52    54   0.34800  1.0 3.0
   56    49    52    55   0.34800  1.0 3.0
   56    61    66    67   0.00000  1.0 1.0
   56    61    66    70   0.09850  1.0 1.0
   56    61    66    70   0.15250 -1.0 2.0
   56    61    66    70  -0.50650  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    66   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    66   0.15000  1.0 3.0
   61    66    70    72   7.00000 -1.0 2.0
   61    66    70    76   7.00000 -1.0 2.0
   62    61    66    67   0.33100  1.0 3.0
   62    61    66    70   0.00000  1.0 1.0
   63    61    66    67   0.33100  1.0 3.0
   63    61    66    70   0.00000  1.0 1.0
   66    70    72    73   0.00000  1.0 1.0
   66    70    72    74   0.00000  1.0 1.0
   66    70    72    75   0.00000  1.0 1.0
   66    70    76    77   0.00000  1.0 1.0
   66    70    76    78   0.00000  1.0 1.0
   66    70    76    79   0.00000  1.0 1.0
   67    66    70    72   7.00000 -1.0 2.0
   67    66    70    76   7.00000 -1.0 2.0
   72    70    76    77   0.34800  1.0 3.0
   72    70    76    78   0.34800  1.0 3.0
   72    70    76    79   0.34800  1.0 3.0
   76    70    72    73   0.34800  1.0 3.0
   76    70    72    74   0.34800  1.0 3.0
   76    70    72    75   0.34800  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    44   1.10000 -1.0 2.0
   48    45    44    37   1.10000 -1.0 2.0
   50    71    48    44   4.00000 -1.0 2.0
   59    51    50    48   1.10000 -1.0 2.0
   64    60    59    50   1.10000 -1.0 2.0
   68    65    64    59   1.10000 -1.0 2.0
   71    69    68    64   1.10000 -1.0 2.0
   68    39    71    48   4.00000 -1.0 2.0
   33    71    39    40  10.50000 -1.0 2.0
   41    47    46    49  15.00000 -1.0 2.0
   52    56    49    46  15.00000 -1.0 2.0
   61    67    66    70  15.00000 -1.0 2.0
   72    76    70    66  15.00000 -1.0 2.0
END
