* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    143    218     413
    1     0 S   NP   _N1_     1    29.37254    95.30400   -17.79792
    2     1 S   H    _HN1     2     1.02757    73.02658   -48.34051
    3     1 S   H    _H1_     3     1.02975   107.80929    56.04536
    4     1 S   H    _H2_     4     1.02812    36.97332   150.73120
    5     1 S   CT   _CA1     5     1.50258   136.87056  -153.16737
    6     5 S   HC   _HA1     6     1.09590   105.06103    26.95166
    7     5 S   CO3  _C1_     7     1.53898   112.58455   -92.47827
    8     7 S   O2Z  _O11     8     1.26350   115.06080   -32.79085
    9     7 S   O2Z  _O12     9     1.26278   115.01453   146.03133
   10     5 S   CT   _CB1    10     1.53123   107.17789   144.48307
   11    10 S   HC   HB11    11     1.09794   109.03409   -51.15145
   12    10 S   HC   HB12    12     1.09787   110.30706    65.14884
   13    10 S   CT   _CG1    13     1.52931   112.98578  -172.66471
   14    13 S   HC   HG11    14     1.09462   109.93024   -65.86768
   15    13 S   HC   HG12    15     1.09629   110.35231    52.95356
   16    13 S   C    _CD1    16     1.51896   112.28701   172.53804
   17    16 S   O    _OE1    17     1.22761   122.94920   -26.40514
   18    16 S   N    _N2_    18     1.38497   111.90862   155.86882
   19    18 S   H    _HN2    19     1.01556   118.88616    -1.03722
   20    18 S   CT1  _CA2    20     1.46247   123.84662  -179.59993
   21    20 S   HC   _HA2    21     1.09735   109.28543   -20.82040
   22    20 S   C    _C2_    22     1.53500   107.88055  -136.28554
   23    22 S   O    _O2_    23     1.23004   122.44463  -145.67128
   24    20 S   CT   _CB2    32     1.53527   111.29159   101.79906
   25    24 S   HC   HB21    33     1.09416   109.24276    48.78615
   26    24 S   HC   HB22    34     1.09454   110.52684   167.65271
   27    22 S   N    _N3_    24     1.38578   113.23460    41.80495
   28    27 S   H    _HN3    25     1.01544   118.85590    -0.65192
   29    24 S   S    _SG2    35     1.82893   111.48615   -73.50536
   30    27 S   CT   _CA3    26     1.45437   123.43889   175.14255
   31    30 S   HC   HA31    27     1.09526   109.19149    25.12817
   32    30 S   HC   HA32    28     1.09494   107.12895   142.11647
   33    29 S   CT   _C15    36     1.87131   101.47570   158.94123
   34    30 S   CO3  _C3_    29     1.52927   113.16188   -98.32594
   35    34 S   O2Z  _O31    30     1.26400   115.43580   -44.14154
   36    34 S   O2Z  _O32    31     1.26360   114.97022   136.81089
   37    33 S   CM   _C12    37     1.56010   111.38351   -64.59060
   38    33 S   CT   _C17    76     1.54282   106.73703   172.31262
   39    38 S   HC   _H35    77     1.09792   111.53295   -64.25019
   40    38 S   HC   _H36    78     1.09451   111.07149   177.27681
   41    38 S   HC   _H37    79     1.09417   113.53701    56.61845
   42    37 S   CT   _C14    38     1.55850   117.46781   121.88090
   43    42 S   HC   _H31    39     1.09959   105.42270  -129.66118
   44    37 S   CMA  _C13    63     1.37924   122.96302   -56.44830
   45    44 S   OM   _O22    64     1.26853   126.29322    -4.71505
   46    42 S   CA   _C7_    40     1.52832   112.48113   112.48513
   47    42 S   CM   _C10    52     1.50325   114.36623   -14.50147
   48    44 S   OS   _O26    65     1.41678   112.38478   177.81269
   49    46 S   CA   _C5_    41     1.42175   120.53543   113.44370
   50    49 S   HA   _H29    42     1.09110   118.60960    -0.67522
   51    47 S   CM   _C11    53     1.33989   125.37801    15.16421
   52    47 S   NO2  _N21    60     1.44510   115.60033  -165.95107
   53    52 S   ON   _O23    61     1.23735   116.84620    63.87136
   54    52 S   ON   _O24    62     1.23816   117.45653  -114.67021
   55    48 S   CT   _C20    66     1.43785   115.65168  -130.08801
   56    55 S   HC   _H44    67     1.09533   112.37853   -29.02654
   57    49 S   CA   _C4_    43     1.41947   124.44659   179.74436
   58    57 S   HA   _H28    44     1.08922   118.27943   179.42870
   59    33 S   NE   _N20    54     1.46083   105.85588    59.58955
   60    59 S   H    _H45    55     1.01610   115.69942    57.14127
   61    51 S   CT   _C16    56     1.50692   126.42696   179.97202
   62    61 S   HC   _H32    57     1.09618   110.19553   133.59963
   63    61 S   HC   _H33    58     1.09312   113.63361    14.43140
   64    61 S   HC   _H34    59     1.09493   110.02414  -107.21627
   65    55 S   CT   _C18    68     1.52459   109.12719    92.83827
   66    65 S   HC   _H38    69     1.09556   111.04337    57.49961
   67    65 S   HC   _H39    70     1.09425   111.21798   178.62357
   68    65 S   HC   _H40    71     1.09434   110.67499   -60.74141
   69    55 S   CT   _C19    72     1.52451   107.07376  -147.50414
   70    69 S   HC   _H41    73     1.09570   111.11200   -57.66085
   71    69 S   HC   _H42    74     1.09427   111.32456  -179.02844
   72    69 S   HC   _H43    75     1.09540   110.26760    60.41940
   73    57 S   CA   _C6_    45     1.40214   123.08754    -0.59281
   74    73 S   HA   _H30    46     1.08233   122.42764  -179.89913
   75    73 S   CB   _C8_    47     1.40508   114.27729    -0.42011
   76    46 S   CB   _C9_    48     1.41757   126.83540   -68.41291
   77    76 S   N5A  _N19    49     1.33955   129.67542    -0.49929
   78    77 S   OA   _O25    50     1.38042   106.40804   180.00000
   79    75 S   N5A  _N18    51     1.33877   128.81325  -179.18555
  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
  16   2   1   1  18   8   3   2   1  18   7   9   2  13  12  10
   8   4   9   4   1   1   9   8   6   3   5   1   3   2   1   1
   7   3   2   1   3   2   1   1   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    59    60    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    59    60    61    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    76    47    51    59    60    52    44    45    48    55    38    39    40    41  
   39    40    41    42    44    51    59    60  
   40    41    59  
   41    59  
   59  
   43    46    49    50    57    75    76    77    47    51    59    61    52    53    54    44    45    48  
   46    49    76    47    51    52    44  
   45    48    55    56    65    69    46    47    59  
   48    55  
   49    50    57    58    73    75    76    77    78    79    47    51    52  
   51    59    60    61    62    63    64    52    53    54    49    76  
   55    56    65    66    67    68    69    70    71    72  
   50    57    58    73    74    75    76    77  
   57    58    73    76  
   59    60    61    62    63    64    52    53    54  
   53    54    59    61  
   54  
    0  
   56    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   58    73    74    75    76    79  
   73    74    75  
   60    61    62    63    64  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79  
   75    76    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.344200   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.476100   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.246900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   77   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
   78   3.0000   0.1700   0.049000   1.7000   1.5000   0.001000000  -0.126889456
   79   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
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    59   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    76   475.000  1.379
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    58   367.000  1.080
   57    73   469.000  1.400
   73    74   367.000  1.080
   73    75   475.000  1.379
   75    76   400.000  1.418
   75    79   515.000  1.335
   76    77   515.000  1.335
   77    78   462.000  1.399
   78    79   462.000  1.399
   47    51   549.000  1.340
   47    52   325.000  1.425
   51    59   425.000  1.378
   51    61   317.000  1.510
   59    60   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   550.000  1.225
   52    54   550.000  1.225
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    65   268.000  1.529
   55    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    59    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    59    51    50.00000  121.00000
   33    59    60    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    76    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    70.00000  113.98000
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    57    63.00000  120.00000
   46    76    75    65.00000  118.98700
   46    76    77    60.00000  134.84400
   49    57    58    35.00000  120.00000
   49    57    73    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    73    74    35.00000  120.00000
   57    73    75    70.00000  117.01800
   73    57    58    35.00000  120.00000
   73    75    76    65.00000  118.98700
   73    75    79    60.00000  134.84400
   75    73    74    40.00000  121.44600
   75    76    77    80.00000  113.57000
   75    79    78   120.00000  103.45200
   76    46    49    70.00000  117.01800
   76    77    78   120.00000  103.45200
   77    78    79   120.00000  111.70000
   79    75    76    80.00000  113.57000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    59    70.00000  124.03900
   47    51    61    70.00000  124.00000
   47    52    53    90.00000  119.02900
   47    52    54    90.00000  119.02900
   51    59    60    35.00000  114.50000
   51    61    62    35.00000  109.50000
   51    61    63    35.00000  109.50000
   51    61    64    35.00000  109.50000
   59    33    37    80.00000  112.42400
   61    51    59    75.00000  116.24600
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    47    51    70.00000  118.30600
   54    52    53    80.00000  125.30000
   44    37    42    70.00000  124.00000
   44    48    55    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    55    56    35.00000  109.50000
   48    55    65    50.00000  109.50000
   48    55    69    50.00000  109.50000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    68    37.50000  110.70000
   55    69    70    37.50000  110.70000
   55    69    71    37.50000  110.70000
   55    69    72    37.50000  110.70000
   65    55    56    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    55    56    37.50000  110.70000
   69    55    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    59    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   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    59    51  -0.12500  1.0 1.0
   29    33    59    51  -0.12500 -1.0 2.0
   29    33    59    51   0.25000  1.0 3.0
   29    33    59    60  -0.12500  1.0 1.0
   29    33    59    60  -0.12500 -1.0 2.0
   29    33    59    60   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    59    51  -0.12500  1.0 1.0
   37    33    59    51  -0.12500 -1.0 2.0
   37    33    59    51   0.25000  1.0 3.0
   37    33    59    60  -0.12500  1.0 1.0
   37    33    59    60  -0.12500 -1.0 2.0
   37    33    59    60   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    76   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    55  -2.26850  1.0 1.0
   37    44    48    55   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    57   3.62500 -1.0 2.0
   42    46    76    75   3.62500 -1.0 2.0
   42    46    76    77   3.62500 -1.0 2.0
   42    47    51    59   7.00000 -1.0 2.0
   42    47    51    61   7.00000 -1.0 2.0
   42    47    52    53   0.01550  1.0 1.0
   42    47    52    53   0.69950 -1.0 2.0
   42    47    52    53   0.02600  1.0 3.0
   42    47    52    54   0.01550  1.0 1.0
   42    47    52    54   0.69950 -1.0 2.0
   42    47    52    54   0.02600  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    76   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.00000  1.0 1.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    57    58   3.62500 -1.0 2.0
   46    49    57    73   3.62500 -1.0 2.0
   46    76    77    78   3.62500 -1.0 2.0
   49    46    76    75   3.62500 -1.0 2.0
   49    46    76    77   3.62500 -1.0 2.0
   49    57    73    74   3.62500 -1.0 2.0
   49    57   -73    75   3.62500 -1.0 2.0
   50    49    57    58   3.62500 -1.0 2.0
   50    49    57    73   3.62500 -1.0 2.0
   57    73    75    76   3.62500 -1.0 2.0
   57    73    75    79   3.62500 -1.0 2.0
   58    57    73    74   3.62500 -1.0 2.0
   58    57    73    75   3.62500 -1.0 2.0
   73    75   -76    46   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    79    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    79   3.62500 -1.0 2.0
   75    76   -77    78   3.62500 -1.0 2.0
   76    46    49    50   3.62500 -1.0 2.0
   76    46   -49    57   3.62500 -1.0 2.0
   76    75   -79    78   3.62500 -1.0 2.0
   76    77   -78    79   3.62500 -1.0 2.0
   77    78   -79    75   3.62500 -1.0 2.0
   79    75    76    46   3.62500 -1.0 2.0
   79    75   -76    77   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    76   0.18050 -1.0 2.0
   47    51   -59    33  -0.54700  1.0 1.0
   47    51   -59    33   1.23000 -1.0 2.0
   47    51    59    60   1.00000 -1.0 2.0
   47    51    61    62   0.00000  1.0 1.0
   47    51    61    63   0.00000  1.0 1.0
   47    51    61    64   0.00000  1.0 1.0
   51    47    52    53   0.65450 -1.0 2.0
   51    47    52    54   0.65450 -1.0 2.0
   59    33   -37    42   0.09700  1.0 1.0
   59    33   -37    42   0.15600 -1.0 2.0
   59    33   -37    42  -0.50800  1.0 3.0
   59    33    37    44   0.62150  1.0 1.0
   59    33    37    44   0.42850 -1.0 2.0
   59    33    37    44  -0.68200  1.0 3.0
   59    33    38    39   0.22950  1.0 3.0
   59    33    38    40   0.22950  1.0 3.0
   59    33    38    41   0.22950  1.0 3.0
   59    51    61    62  -0.18050  1.0 3.0
   59    51    61    63  -0.18050  1.0 3.0
   59    51    61    64  -0.18050  1.0 3.0
   61    51    59    33   1.00000 -1.0 2.0
   61    51    59    60   2.40850 -1.0 2.0
   52    47    51    59   7.00000 -1.0 2.0
   52    47    51    61   7.00000 -1.0 2.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    55    56   0.08050  1.0 3.0
   44    48    55    65  -0.46850  1.0 1.0
   44    48    55    65   0.09300 -1.0 2.0
   44    48    55    65  -0.12850  1.0 3.0
   44    48    55    69  -0.46850  1.0 1.0
   44    48    55    69   0.09300 -1.0 2.0
   44    48    55    69  -0.12850  1.0 3.0
   45    44    48    55   2.00000 -1.0 2.0
   48    55    65    66   0.23400  1.0 3.0
   48    55    65    67   0.23400  1.0 3.0
   48    55    65    68   0.23400  1.0 3.0
   48    55    69    70   0.23400  1.0 3.0
   48    55    69    71   0.23400  1.0 3.0
   48    55    69    72   0.23400  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   56    55    69    70   0.15000  1.0 3.0
   56    55    69    71   0.15000  1.0 3.0
   56    55    69    72   0.15000  1.0 3.0
   65    55    69    70   0.15000  1.0 3.0
   65    55    69    71   0.15000  1.0 3.0
   65    55    69    72   0.15000  1.0 3.0
   69    55    65    66   0.15000  1.0 3.0
   69    55    65    67   0.15000  1.0 3.0
   69    55    65    68   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    59    51   0.25450  1.0 1.0
   38    33    59    51  -0.61700 -1.0 2.0
   38    33    59    51  -0.23550  1.0 3.0
   38    33    59    60   0.00000  1.0 1.0
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    42    37    44   1.10000 -1.0 2.0
   49    76    46    42   4.00000 -1.0 2.0
   57    50    49    46   1.10000 -1.0 2.0
   73    58    57    49   1.10000 -1.0 2.0
   75    74    73    57   1.10000 -1.0 2.0
   76    79    75    73   4.00000 -1.0 2.0
   75    77    76    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   61    59    51    47   1.10000 -1.0 2.0
   60    51    59    33   1.00000 -1.0 2.0
   54    47    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
