* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    157    268     479
    1     0 S   NP   _N1_     1    28.68931    96.83844   -23.41974
    2     1 S   H    _HN1     2     1.02790   106.86514   -99.01300
    3     1 S   H    _H1_     3     1.02949    70.49080     4.99869
    4     1 S   H    _H2_     4     1.02824    39.18987   163.12984
    5     1 S   CT   _CA1     5     1.50137   137.71986   104.17243
    6     5 S   HC   _HA1     6     1.09576   105.14680    94.63533
    7     5 S   CO3  _C1_     7     1.53768   112.48229   -25.50341
    8     7 S   O2Z  _O11     8     1.26371   115.00520   -41.78639
    9     7 S   O2Z  _O12     9     1.26241   114.94765   137.18515
   10     5 S   CT   _CB1    10     1.53060   107.38252  -147.44505
   11    10 S   HC   HB11    11     1.09838   109.26615   -49.66216
   12    10 S   HC   HB12    12     1.09810   110.49176    66.91855
   13    10 S   CT   _CG1    13     1.53004   112.66354  -170.63319
   14    13 S   HC   HG11    14     1.09576   110.67619   -67.86132
   15    13 S   HC   HG12    15     1.09674   109.73445    51.38168
   16    13 S   C    _CD1    16     1.51818   112.08767   171.77431
   17    16 S   O    _OE1    17     1.22746   123.23058    10.02674
   18    16 S   N    _N2_    18     1.38635   111.74594  -169.70977
   19    18 S   H    _HN2    19     1.01576   119.01331     0.96733
   20    18 S   CT1  _CA2    20     1.46250   123.47068   177.19021
   21    20 S   HC   _HA2    21     1.09745   109.23492     9.15144
   22    20 S   C    _C2_    22     1.53740   109.21631  -106.42048
   23    22 S   O    _O2_    23     1.23102   122.17885  -151.19377
   24    20 S   CT   _CB2    32     1.53458   111.45600   131.05952
   25    24 S   HC   HB21    33     1.09545   109.37272    55.46029
   26    24 S   HC   HB22    34     1.09262   109.94340   174.05617
   27    22 S   N    _N3_    24     1.38294   114.02529    36.38907
   28    27 S   H    _HN3    25     1.01527   119.61434    -3.40617
   29    24 S   S    _SG2    35     1.83196   110.96708   -64.85462
   30    27 S   CT   _CA3    26     1.45280   123.28494   177.13741
   31    30 S   HC   HA31    27     1.09548   107.51952   -64.54797
   32    30 S   HC   HA32    28     1.09556   107.98799    51.90687
   33    29 S   CT   _C19    36     1.86009   102.86682  -168.48695
   34    30 S   CO3  _C3_    29     1.52977   114.05056   173.89693
   35    34 S   O2Z  _O31    30     1.26383   116.07970    -0.56023
   36    34 S   O2Z  _O32    31     1.26426   114.41601   179.50307
   37    33 S   CM   _C4_    37     1.51130   108.52365   -39.26040
   38    37 S   HC   _H26    38     1.08850   117.32166    96.86045
   39    33 S   CT   _C17    62     1.56398   114.34633    89.19095
   40    39 S   HC   _H41    63     1.10146   106.60303  -156.94221
   41    37 S   CMA  _C5_    39     1.35145   123.50841   -83.06846
   42    41 S   OM   _O20    40     1.26173   129.72048   179.25270
   43    41 S   CT   _C10    41     1.53901   118.07501     2.30146
   44    43 S   HC   _H29    42     1.10171   105.91372    90.44199
   45    43 S   HC   _H30    43     1.10111   110.80905  -157.02616
   46    43 S   CT   _C20    44     1.56863   117.33695   -31.36005
   47    33 S   CT   _C18    45     1.55143   113.69969  -157.28104
   48    47 S   HC   _H42    46     1.10842   102.91137   174.80710
   49    46 S   CO3  _C9_    73     1.57656   108.44018  -101.40439
   50    49 S   O2Z  _O22    74     1.26602   115.97005    39.56681
   51    49 S   O2Z  _O24    75     1.26521   116.27738  -141.74069
   52    46 S   CT   _C22    76     1.53435   108.44539   142.29994
   53    52 S   HC   _H43    77     1.09268   112.19570   -62.60807
   54    52 S   HC   _H44    78     1.09336   113.00043   175.21369
   55    52 S   HC   _H45    79     1.09756   110.44750    56.28490
   56    47 S   CT   _C16    47     1.54334   107.33299   -78.95204
   57    56 S   HC   _H40    48     1.10171   104.24796  -149.20476
   58    56 S   CT   _C21    49     1.56298   102.22385   -36.00667
   59    56 S   CO3  _C8_    70     1.54193   127.39193    92.11663
   60    59 S   O2Z  _O21    71     1.26731   114.25639   142.06714
   61    59 S   O2Z  _O23    72     1.25840   117.25940   -39.06603
   62    58 S   CT   _C11    50     1.55631   110.40382  -105.84647
   63    62 S   HC   _H31    51     1.09456   112.65266    76.50397
   64    62 S   HC   _H32    52     1.09711   110.68349   -45.50460
   65    62 S   CM   _C6_    53     1.50317   103.18126  -161.91943
   66    65 S   CT   _C15    54     1.51158   109.56161     8.65435
   67    66 S   HC   _H39    55     1.09492   111.65108   140.81074
   68    65 S   CM   _C7_    67     1.33760   124.83750  -173.45710
   69    68 S   HC   _H27    68     1.08455   121.05971  -178.80827
   70    68 S   HC   _H28    69     1.08466   120.98831     1.22685
   71    66 S   CT   _C12    56     1.53715   109.82407   -95.53564
   72    71 S   HC   _H33    57     1.09731   111.00607   -33.99541
   73    71 S   HC   _H34    58     1.09754   108.98349  -150.13339
   74    58 S   CT   _C14    64     1.54124   119.20712   139.42701
   75    74 S   HC   _H37    65     1.09790   111.66962    53.04811
   76    74 S   HC   _H38    66     1.09470   113.71878   -68.95677
   77    71 S   CT   _C13    59     1.53355   113.13624    89.75396
   78    77 S   HC   _H35    60     1.09411   106.20681    85.91946
   79    77 S   HC   _H36    61     1.09619   109.56003  -159.82625
  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  12   5   4   3
  22   2   1   1  14   5  23   9   8   4  13   5   4  13  17   6
   7   2   1   4   2   1   1  14   6  17   4   1   1  13   5   4
  12  13   8   4   1   1   8   5   4   3   1   1   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    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    47    48    56    58    77    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    46    47    48    56    57    58    62    71    77    78    79    39    40    74    59    49    52  
   35    36  
   36  
    0  
   38    41    42    43    44    45    46    47    48    56    58    77    39    40  
   41    42    43    47    39  
   40    74    75    76    59    41    46    47    48    56    57    58    62    63    64    65    66    71    72    73    77    78    79  
   74    47    56    58    62    71    77    78    79  
   42    43    44    45    46    47    49    52  
   43    44    45    46  
   44    45    46    47    48    56    49    50    51    52    53    54    55  
   45    46    47    49    52  
   46    47    49    52  
   47    48    56    57    58    59    49    50    51    52    53    54    55  
   48    56    57    58    62    77    74    59    60    61    49    50    51    52    53    54    55  
   56    57    58    59    49    52  
   50    51    52    53    54    55    56  
   51    52  
   52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    62    63    64    65    66    77    74    75    76    59    60    61  
   58    62    74    59    60    61  
   62    63    64    65    66    67    71    77    78    79    74    75    76    68    59    60    61  
   60    61    62    74  
   61  
    0  
   63    64    65    66    67    71    77    74    75    76    68    69    70  
   64    65    66    74    68  
   65    66    74    68  
   66    67    71    72    73    77    74    75    76    68    69    70  
   67    71    72    73    77    78    79    74    75    76    68    69    70  
   71    72    73    77    74    75    76    68  
   69    70    71    74  
   70  
    0  
   72    73    77    78    79    74    75    76  
   73    77    78    79    74  
   77    78    79    74  
   75    76    77  
   76  
    0  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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    47   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    43   270.000  1.512
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    49   317.000  1.522
   46    52   268.000  1.529
   47    48   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    59   317.000  1.522
   58    62   268.000  1.529
   58    39   268.000  1.529
   58    74   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   317.000  1.510
   65    68   549.000  1.340
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    39   268.000  1.529
   39    40   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   59    60   656.000  1.250
   59    61   656.000  1.250
   49    50   656.000  1.250
   49    51   656.000  1.250
   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    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    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    56    58.35000  112.70000
   33    39    58    58.35000  112.70000
   33    39    77    58.35000  112.70000
   33    39    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    43    44    45.00000  110.52000
   41    43    45    45.00000  110.52000
   41    43    46    70.00000  112.02700
   43    41    42    85.00000  112.85300
   43    46    47    58.35000  112.70000
   43    46    49    70.00000  109.69300
   43    46    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    56    58.35000  112.70000
   46    49    50    70.00000  117.00000
   46    49    51    70.00000  117.00000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   47    33    37    70.00000  112.02700
   47    56    57    37.50000  110.70000
   47    56    58    58.35000  112.70000
   47    56    59    70.00000  109.69300
   56    47    48    37.50000  110.70000
   56    58    62    58.35000  112.70000
   56    58    39    58.35000  112.70000
   56    58    74    58.35000  112.70000
   56    59    60    70.00000  117.00000
   56    59    61    70.00000  117.00000
   58    56    57    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    70.00000  112.02700
   58    39    77    58.35000  112.70000
   58    39    40    37.50000  110.70000
   58    74    66    58.35000  112.70000
   58    74    75    37.50000  110.70000
   58    74    76    37.50000  110.70000
   62    65    66    65.00000  117.92700
   62    65    68    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    35.00000  109.50000
   65    66    71    70.00000  112.02700
   65    66    74    70.00000  112.02700
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   71    66    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    39    40    37.50000  110.70000
   79    77    78    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    47    58.35000  112.70000
   39    58    62    58.35000  112.70000
   39    77    78    37.50000  110.70000
   39    77    79    37.50000  110.70000
   74    58    62    58.35000  112.70000
   74    58    39    58.35000  112.70000
   74    66    67    37.50000  110.70000
   74    66    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   68    65    66    70.00000  124.00000
   70    68    69    35.00000  117.00000
   59    56    57    35.00000  109.50000
   59    56    58    70.00000  109.69300
   61    59    60    80.00000  126.00000
   49    46    47    70.00000  109.69300
   51    49    50    80.00000  126.00000
   52    46    47    58.35000  112.70000
   52    46    49    70.00000  109.69300
   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    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    47    46   0.44750  1.0 1.0
   29    33    47    46  -0.17800 -1.0 2.0
   29    33    47    46   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    56   0.44750  1.0 1.0
   29    33    47    56  -0.17800 -1.0 2.0
   29    33    47    56   0.20200  1.0 3.0
   29    33    39    58   0.44750  1.0 1.0
   29    33    39    58  -0.17800 -1.0 2.0
   29    33    39    58   0.20200  1.0 3.0
   29    33    39    77   0.44750  1.0 1.0
   29    33    39    77  -0.17800 -1.0 2.0
   29    33    39    77   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    47    56    57   0.15000  1.0 3.0
   33    47   -56    58   0.56750  1.0 1.0
   33    47   -56    58  -0.07550 -1.0 2.0
   33    47   -56    58   0.20000  1.0 3.0
   33    47    56    59  -1.63150  1.0 1.0
   33    47    56    59  -0.43550 -1.0 2.0
   33    47    56    59   0.24500  1.0 3.0
   37    33    47    46   0.34400  1.0 1.0
   37    33    47    46   0.09450 -1.0 2.0
   37    33    47    46   0.11100  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    56   0.34400  1.0 1.0
   37    33    47    56   0.09450 -1.0 2.0
   37    33    47    56   0.11100  1.0 3.0
   37    33    39    58   0.34400  1.0 1.0
   37    33    39    58   0.09450 -1.0 2.0
   37    33    39    58   0.11100  1.0 3.0
   37    33    39    77   0.34400  1.0 1.0
   37    33    39    77   0.09450 -1.0 2.0
   37    33    39    77   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    41    43    44   0.00000  1.0 1.0
   37    41    43    45   0.00000  1.0 1.0
   37    41   -43    46   0.09850  1.0 1.0
   37    41   -43    46   0.15250 -1.0 2.0
   37    41   -43    46  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    46    47   0.34400  1.0 1.0
   41    43    46    47   0.09450 -1.0 2.0
   41    43    46    47   0.11100  1.0 3.0
   41    43    46    49  -0.98800  1.0 1.0
   41    43    46    49   0.48800 -1.0 2.0
   41    43    46    49   0.76800  1.0 3.0
   41    43    46    52   0.34400  1.0 1.0
   41    43    46    52   0.09450 -1.0 2.0
   41    43    46    52   0.11100  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.09700  1.0 1.0
   42    41    43    46   0.15600 -1.0 2.0
   42    41    43    46  -0.50800  1.0 3.0
   43    46   -47    33   0.56750  1.0 1.0
   43    46   -47    33  -0.07550 -1.0 2.0
   43    46   -47    33   0.20000  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    56   0.56750  1.0 1.0
   43    46    47    56  -0.07550 -1.0 2.0
   43    46    47    56   0.20000  1.0 3.0
   43    46    49    50   0.41150 -1.0 2.0
   43    46    49    51   0.41150 -1.0 2.0
   43    46    52    53   0.15000  1.0 3.0
   43    46    52    54   0.15000  1.0 3.0
   43    46    52    55   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    49  -0.11250  1.0 3.0
   44    43    46    52   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    49  -0.11250  1.0 3.0
   45    43    46    52   0.15000  1.0 3.0
   46    47    56    57   0.15000  1.0 3.0
   46    47    56    58   0.56750  1.0 1.0
   46    47    56    58  -0.07550 -1.0 2.0
   46    47    56    58   0.20000  1.0 3.0
   46    47    56    59  -1.63150  1.0 1.0
   46    47    56    59  -0.43550 -1.0 2.0
   46    47    56    59   0.24500  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    41   0.09850  1.0 1.0
   47    33   -37    41   0.15250 -1.0 2.0
   47    33   -37    41  -0.50650  1.0 3.0
   47    33   -39    58   0.56750  1.0 1.0
   47    33   -39    58  -0.07550 -1.0 2.0
   47    33   -39    58   0.20000  1.0 3.0
   47    33    39    77   0.56750  1.0 1.0
   47    33    39    77  -0.07550 -1.0 2.0
   47    33    39    77   0.20000  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    46    49    50   0.41150 -1.0 2.0
   47    46    49    51   0.41150 -1.0 2.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   47    56    58    62   0.56750  1.0 1.0
   47    56    58    62  -0.07550 -1.0 2.0
   47    56    58    62   0.20000  1.0 3.0
   47    56   -58    39   0.56750  1.0 1.0
   47    56   -58    39  -0.07550 -1.0 2.0
   47    56   -58    39   0.20000  1.0 3.0
   47    56    58    74   0.56750  1.0 1.0
   47    56    58    74  -0.07550 -1.0 2.0
   47    56    58    74   0.20000  1.0 3.0
   47    56    59    60   0.41150 -1.0 2.0
   47    56    59    61   0.41150 -1.0 2.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   48    47    56    59  -0.11250  1.0 3.0
   56    58    62    63   0.15000  1.0 3.0
   56    58    62    64   0.15000  1.0 3.0
   56    58    62    65   0.34400  1.0 1.0
   56    58    62    65   0.09450 -1.0 2.0
   56    58    62    65   0.11100  1.0 3.0
   56    58   -39    33   0.56750  1.0 1.0
   56    58   -39    33  -0.07550 -1.0 2.0
   56    58   -39    33   0.20000  1.0 3.0
   56    58    39    77   0.56750  1.0 1.0
   56    58    39    77  -0.07550 -1.0 2.0
   56    58    39    77   0.20000  1.0 3.0
   56    58    39    40   0.15000  1.0 3.0
   56    58    74    66   0.56750  1.0 1.0
   56    58    74    66  -0.07550 -1.0 2.0
   56    58    74    66   0.20000  1.0 3.0
   56    58    74    75   0.15000  1.0 3.0
   56    58    74    76   0.15000  1.0 3.0
   57    56    58    62   0.15000  1.0 3.0
   57    56    58    39   0.15000  1.0 3.0
   57    56    58    74   0.15000  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.41150 -1.0 2.0
   58    56    59    61   0.41150 -1.0 2.0
   58    62   -65    66   0.46850  1.0 1.0
   58    62   -65    66   0.08550 -1.0 2.0
   58    62   -65    66   0.09800  1.0 3.0
   58    62    65    68   0.09850  1.0 1.0
   58    62    65    68   0.15250 -1.0 2.0
   58    62    65    68  -0.50650  1.0 3.0
   62    58    39    33   0.56750  1.0 1.0
   62    58    39    33  -0.07550 -1.0 2.0
   62    58    39    33   0.20000  1.0 3.0
   62    58    39    77   0.56750  1.0 1.0
   62    58    39    77  -0.07550 -1.0 2.0
   62    58    39    77   0.20000  1.0 3.0
   62    58    39    40   0.15000  1.0 3.0
   62    58   -74    66   0.56750  1.0 1.0
   62    58   -74    66  -0.07550 -1.0 2.0
   62    58   -74    66   0.20000  1.0 3.0
   62    58    74    75   0.15000  1.0 3.0
   62    58    74    76   0.15000  1.0 3.0
   62    65    66    67   0.34800  1.0 3.0
   62    65    66    71   0.46850  1.0 1.0
   62    65    66    71   0.08550 -1.0 2.0
   62    65    66    71   0.09800  1.0 3.0
   62    65   -66    74   0.46850  1.0 1.0
   62    65   -66    74   0.08550 -1.0 2.0
   62    65   -66    74   0.09800  1.0 3.0
   62    65    68    69   7.00000 -1.0 2.0
   62    65    68    70   7.00000 -1.0 2.0
   63    62    65    66   0.34800  1.0 3.0
   63    62    65    68   0.00000  1.0 1.0
   64    62    65    66   0.34800  1.0 3.0
   64    62    65    68   0.00000  1.0 1.0
   65    66    71    72   0.15000  1.0 3.0
   65    66    71    73   0.15000  1.0 3.0
   65    66    71    77   0.34400  1.0 1.0
   65    66    71    77   0.09450 -1.0 2.0
   65    66    71    77   0.11100  1.0 3.0
   65    66   -74    58   0.34400  1.0 1.0
   65    66   -74    58   0.09450 -1.0 2.0
   65    66   -74    58   0.11100  1.0 3.0
   65    66    74    75   0.15000  1.0 3.0
   65    66    74    76   0.15000  1.0 3.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    70   7.00000 -1.0 2.0
   66    71    77    78   0.15000  1.0 3.0
   66    71    77    79   0.15000  1.0 3.0
   66    71    77    39   0.56750  1.0 1.0
   66    71    77    39  -0.07550 -1.0 2.0
   66    71    77    39   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    77   0.15000  1.0 3.0
   67    66    74    58   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   71    66    74    58   0.56750  1.0 1.0
   71    66    74    58  -0.07550 -1.0 2.0
   71    66    74    58   0.20000  1.0 3.0
   71    66    74    75   0.15000  1.0 3.0
   71    66    74    76   0.15000  1.0 3.0
   71    77    39    33   0.56750  1.0 1.0
   71    77    39    33  -0.07550 -1.0 2.0
   71    77    39    33   0.20000  1.0 3.0
   71    77   -39    58   0.56750  1.0 1.0
   71    77   -39    58  -0.07550 -1.0 2.0
   71    77   -39    58   0.20000  1.0 3.0
   71    77    39    40   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    39   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    39   0.15000  1.0 3.0
   78    77    39    33   0.15000  1.0 3.0
   78    77    39    58   0.15000  1.0 3.0
   78    77    39    40   0.15000  1.0 3.0
   79    77    39    33   0.15000  1.0 3.0
   79    77    39    58   0.15000  1.0 3.0
   79    77    39    40   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    47    46   0.56750  1.0 1.0
   39    33    47    46  -0.07550 -1.0 2.0
   39    33    47    46   0.20000  1.0 3.0
   39    33    47    48   0.15000  1.0 3.0
   39    33   -47    56   0.56750  1.0 1.0
   39    33   -47    56  -0.07550 -1.0 2.0
   39    33   -47    56   0.20000  1.0 3.0
   39    58    62    63   0.15000  1.0 3.0
   39    58    62    64   0.15000  1.0 3.0
   39    58    62    65   0.34400  1.0 1.0
   39    58    62    65   0.09450 -1.0 2.0
   39    58    62    65   0.11100  1.0 3.0
   39    58   -74    66   0.56750  1.0 1.0
   39    58   -74    66  -0.07550 -1.0 2.0
   39    58   -74    66   0.20000  1.0 3.0
   39    58    74    75   0.15000  1.0 3.0
   39    58    74    76   0.15000  1.0 3.0
   74    58    62    63   0.15000  1.0 3.0
   74    58    62    64   0.15000  1.0 3.0
   74    58   -62    65   0.34400  1.0 1.0
   74    58   -62    65   0.09450 -1.0 2.0
   74    58   -62    65   0.11100  1.0 3.0
   74    58    39    33   0.56750  1.0 1.0
   74    58    39    33  -0.07550 -1.0 2.0
   74    58    39    33   0.20000  1.0 3.0
   74    58    39    77   0.56750  1.0 1.0
   74    58    39    77  -0.07550 -1.0 2.0
   74    58    39    77   0.20000  1.0 3.0
   74    58    39    40   0.15000  1.0 3.0
   74    66    71    72   0.15000  1.0 3.0
   74    66    71    73   0.15000  1.0 3.0
   74    66   -71    77   0.56750  1.0 1.0
   74    66   -71    77  -0.07550 -1.0 2.0
   74    66   -71    77   0.20000  1.0 3.0
   68    65    66    67   0.00000  1.0 1.0
   68    65    66    71   0.09850  1.0 1.0
   68    65    66    71   0.15250 -1.0 2.0
   68    65    66    71  -0.50650  1.0 3.0
   68    65    66    74   0.09850  1.0 1.0
   68    65    66    74   0.15250 -1.0 2.0
   68    65    66    74  -0.50650  1.0 3.0
   59    56    58    62  -1.63150  1.0 1.0
   59    56    58    62  -0.43550 -1.0 2.0
   59    56    58    62   0.24500  1.0 3.0
   59    56    58    39  -1.63150  1.0 1.0
   59    56    58    39  -0.43550 -1.0 2.0
   59    56    58    39   0.24500  1.0 3.0
   59    56    58    74  -1.63150  1.0 1.0
   59    56    58    74  -0.43550 -1.0 2.0
   59    56    58    74   0.24500  1.0 3.0
   49    46    47    33  -1.63150  1.0 1.0
   49    46    47    33  -0.43550 -1.0 2.0
   49    46    47    33   0.24500  1.0 3.0
   49    46    47    48  -0.11250  1.0 3.0
   49    46    47    56  -1.63150  1.0 1.0
   49    46    47    56  -0.43550 -1.0 2.0
   49    46    47    56   0.24500  1.0 3.0
   49    46    52    53  -0.11250  1.0 3.0
   49    46    52    54  -0.11250  1.0 3.0
   49    46    52    55  -0.11250  1.0 3.0
   52    46    47    33   0.56750  1.0 1.0
   52    46    47    33  -0.07550 -1.0 2.0
   52    46    47    33   0.20000  1.0 3.0
   52    46    47    48   0.15000  1.0 3.0
   52    46    47    56   0.56750  1.0 1.0
   52    46    47    56  -0.07550 -1.0 2.0
   52    46    47    56   0.20000  1.0 3.0
   52    46    49    50   0.41150 -1.0 2.0
   52    46    49    51   0.41150 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   62    66    65    68   1.10000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
   60    56    59    61  10.50000 -1.0 2.0
   50    46    49    51  10.50000 -1.0 2.0
END
