* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    214     438
    1     0 S   NP   _N1_     1    29.10201    98.40205   -22.95560
    2     1 S   H    _HN1     2     1.02831    50.97174   175.69507
    3     1 S   H    _H1_     3     1.02798   101.43899   -80.50480
    4     1 S   H    _H2_     4     1.02950    61.16809    24.26799
    5     1 S   CT   _CA1     5     1.50095   146.01449   108.37958
    6     5 S   HC   _HA1     6     1.09574   105.19314   109.28971
    7     5 S   CO3  _C1_     7     1.53665   112.51319   -10.93911
    8     7 S   O2Z  _O11     8     1.26347   115.14746   -43.17713
    9     7 S   O2Z  _O12     9     1.26284   115.01160   136.20866
   10     5 S   CT   _CB1    10     1.53078   107.42830  -132.76444
   11    10 S   HC   HB11    11     1.09837   109.24600   -50.24169
   12    10 S   HC   HB12    12     1.09812   110.49940    66.31707
   13    10 S   CT   _CG1    13     1.53020   112.68042  -171.24142
   14    13 S   HC   HG11    14     1.09597   110.68361   -67.70627
   15    13 S   HC   HG12    15     1.09673   109.74154    51.52750
   16    13 S   C    _CD1    16     1.51839   112.09047   171.93031
   17    16 S   O    _OE1    17     1.22741   123.24021     9.99361
   18    16 S   N    _N2_    18     1.38584   111.71929  -170.05363
   19    18 S   H    _HN2    19     1.01610   118.97040     0.85363
   20    18 S   CT1  _CA2    20     1.46312   123.56301   176.92362
   21    20 S   HC   _HA2    21     1.09728   109.41547     4.77409
   22    20 S   C    _C2_    22     1.53611   108.81894  -110.80991
   23    22 S   O    _O2_    23     1.23072   122.25474  -149.86950
   24    20 S   CT   _CB2    32     1.53310   111.11753   126.93583
   25    24 S   HC   HB21    33     1.09351   109.07349    54.95311
   26    24 S   HC   HB22    34     1.09478   110.58508   173.65863
   27    22 S   N    _N3_    24     1.38321   113.80383    37.70998
   28    27 S   H    _HN3    25     1.01560   119.55731    -3.46057
   29    24 S   S    _SG2    35     1.83129   110.91771   -66.96482
   30    27 S   CT   _CA3    26     1.45269   123.27362   177.19837
   31    30 S   HC   HA31    27     1.09547   107.53098   -64.58124
   32    30 S   HC   HA32    28     1.09557   107.97740    51.87269
   33    29 S   CT   _C13    36     1.87202   101.38561   159.24540
   34    30 S   CO3  _C3_    29     1.52967   114.04234   173.88400
   35    34 S   O2Z  _O31    30     1.26383   116.07897     0.42750
   36    34 S   O2Z  _O32    31     1.26425   114.41682  -179.53354
   37    33 S   CM   _C11    37     1.52052   109.53279   -65.75013
   38    33 S   CT   _C21    56     1.55858   106.59176   171.96432
   39    38 S   HC   _H43    57     1.09843   110.40569    54.60763
   40    38 S   HC   _H44    58     1.09916   110.21990   -61.77202
   41    37 S   CMA  _C10    38     1.35907   123.36645   118.26956
   42    41 S   OM   _O22    39     1.26370   128.41650   177.28495
   43    37 S   CT   _C16    52     1.52517   116.14018   -63.54436
   44    43 S   HC   _H32    53     1.09339   110.74985   -60.61897
   45    43 S   HC   _H33    54     1.09455   113.36865   179.84298
   46    43 S   HC   _H34    55     1.09389   111.22333    60.22083
   47    38 S   CT   _C24    59     1.53893   113.90583   176.74821
   48    47 S   HC   _H49    60     1.09613   110.24110    57.66441
   49    47 S   HC   _H50    61     1.09452   109.59415   -59.91936
   50    41 S   CM   _C8_    40     1.49455   119.77317    -2.09499
   51    47 S   CT   _C23    62     1.53466   111.21976   178.62598
   52    51 S   HC   _H47    63     1.09756   109.81486    50.78102
   53    51 S   HC   _H48    64     1.09692   108.78777   -65.96429
   54    50 S   CM   _C9_    41     1.35302   122.58127     4.74718
   55    50 S   CT   _C14    48     1.52959   118.05740  -173.89424
   56    55 S   HC   _H26    49     1.09568   110.57071   -72.97782
   57    55 S   HC   _H27    50     1.09281   113.65289   165.95151
   58    55 S   HC   _H28    51     1.09674   111.23586    48.51062
   59    51 S   CT   _C18    65     1.53182   112.59937   173.34731
   60    59 S   HC   _H37    66     1.09573   110.19786    52.75022
   61    59 S   HC   _H38    67     1.09614   108.90371   169.91028
   62    33 S   CO4  _C12    42     1.53122   106.17084    58.07213
   63    62 S   O    _O23    43     1.23496   120.98865    59.70004
   64    54 S   CT   _C15    44     1.50765   125.52308   175.70304
   65    64 S   HC   _H29    45     1.09445   110.21411    94.68292
   66    64 S   HC   _H30    46     1.09336   112.81532   -27.45319
   67    64 S   HC   _H31    47     1.09560   111.42732  -145.08658
   68    59 S   CZ   _C5_    68     1.46976   111.20559   -69.88207
   69    68 S   CZ   _C4_    69     1.20087   176.04275     7.13435
   70    69 S   CT   _C17    70     1.46920   176.37734    -1.02259
   71    70 S   HC   _H35    71     1.09623   109.02602   121.65942
   72    70 S   HC   _H36    72     1.09580   110.23491  -121.19581
   73    70 S   CT   _C22    73     1.53170   111.49277     1.46152
   74    73 S   HC   _H45    74     1.09849   109.86641    53.64279
   75    73 S   HC   _H46    75     1.09781   108.62654   169.73975
   76    73 S   CT   _C19    76     1.53201   112.72284   -69.35217
   77    76 S   HC   _H39    77     1.09615   109.70055   -61.18966
   78    76 S   HC   _H40    78     1.09581   110.47046    56.56237
   79    76 S   CZ   _C6_    79     1.46936   111.19189   177.34016
   80    79 S   CZ   _C7_    80     1.20105   178.36949  -102.69851
   81    80 S   CT   _C20    81     1.46225   178.78550     0.46981
   82    81 S   HC   _H41    82     1.09430   110.48397   -22.04769
   83    81 S   HC   _H42    83     1.09409   110.84535  -142.65263
   84    81 S   OH   _O24    84     1.42043   109.72043    97.48113
   85    84 S   HO   _H51    85     0.97601   106.54527  -178.44631
  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
  19   2   1   1  15  14   6   5  13   4   5   2   1   1  10   5
   4  11   7   5   4  10   5   2   1   1   5   3   2   5   1   3
   2   1   1   5   7   9   5   4   7   5   4   5   3   2   5   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    62    63    43    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    50    54    62    63    64    43    44    45    46    38    39    40    47    48    49    51  
   35    36  
   36  
    0  
   41    42    50    54    62    63    55    43    44    45    46    38    39    40    47  
   39    40    47    48    49    51    52    53    59    41    43    54    62    63  
   40    47    48    49    51    62  
   47    48    49    51    62  
   42    50    54    62    64    55    56    57    58    43    44    45    46  
   50    54    55    43  
   44    45    46    50    62  
   45    46  
   46  
    0  
   48    49    51    52    53    59    60    61    68    62  
   49    51    52    53    59  
   51    52    53    59  
   54    62    63    64    65    66    67    55    56    57    58  
   52    53    59    60    61    68    69  
   53    59    60    61    68  
   59    60    61    68  
   62    63    64    65    66    67    55    56    57    58  
   56    57    58    62    64  
   57    58  
   58  
    0  
   60    61    68    69    70  
   61    68    69  
   68    69  
   63    64    65    66    67  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81  
   78    79    80  
   79    80  
   80    81    82    83    84  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.976300   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   69   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   80   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    62   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    50   465.000  1.376
   50    54   549.000  1.340
   50    55   317.000  1.510
   54    62   320.000  1.462
   54    64   317.000  1.510
   62    63   570.000  1.229
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   390.000  1.470
   68    69   985.000  1.221
   69    70   390.000  1.470
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   390.000  1.470
   79    80   985.000  1.221
   80    81   390.000  1.470
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   553.000  0.945
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    62    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    62    54    65.00000  118.62400
   33    62    63    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    47    58.35000  112.70000
   37    41    42    65.00000  137.10300
   37    41    50    70.00000  123.01800
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    50    54    70.00000  117.34000
   41    50    55    70.00000  124.00000
   50    41    42    65.00000  137.10300
   50    54    62    65.00000  118.96000
   50    54    64    70.00000  124.00000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   54    62    63    80.00000  123.72100
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    67    35.00000  109.50000
   62    33    37    70.00000  109.06800
   64    54    62    65.00000  116.34900
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   55    50    54    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    62    63.00000  111.10000
   38    47    48    37.50000  110.70000
   38    47    49    37.50000  110.70000
   38    47    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   47    38    39    37.50000  110.70000
   47    38    40    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    59    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    68    58.35000  112.70000
   53    51    52    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    53    37.50000  110.70000
   59    68    69    30.00000  179.48800
   61    59    60    33.00000  107.80000
   68    59    60    35.00000  108.50000
   68    59    61    35.00000  108.50000
   68    69    70    30.00000  179.48800
   69    70    71    35.00000  108.50000
   69    70    72    35.00000  108.50000
   69    70    73    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    30.00000  179.48800
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  108.50000
   79    76    78    35.00000  108.50000
   79    80    81    30.00000  179.48800
   80    81    82    35.00000  108.50000
   80    81    83    35.00000  108.50000
   80    81    84    90.00000  111.78800
   81    84    85    55.00000  108.50000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   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    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    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    62    54   0.65300  1.0 1.0
   29    33    62    54  -0.03850 -1.0 2.0
   29    33    62    54   0.33900  1.0 3.0
   29    33    62    63   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    47   0.44750  1.0 1.0
   29    33    38    47  -0.17800 -1.0 2.0
   29    33    38    47   0.20200  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    50   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   33    38    47    48   0.15000  1.0 3.0
   33    38    47    49   0.15000  1.0 3.0
   33    38    47    51   0.56750  1.0 1.0
   33    38    47    51  -0.07550 -1.0 2.0
   33    38    47    51   0.20000  1.0 3.0
   37    33    62    54   0.65300  1.0 1.0
   37    33    62    54  -0.03850 -1.0 2.0
   37    33    62    54   0.33900  1.0 3.0
   37    33    62    63   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    47   0.34400  1.0 1.0
   37    33    38    47   0.09450 -1.0 2.0
   37    33    38    47   0.11100  1.0 3.0
   37    41   -50    54   7.00000 -1.0 2.0
   37    41    50    55   7.00000 -1.0 2.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    50    54    62   7.00000 -1.0 2.0
   41    50    54    64   7.00000 -1.0 2.0
   41    50    55    56   0.00000  1.0 1.0
   41    50    55    57   0.00000  1.0 1.0
   41    50    55    58   0.00000  1.0 1.0
   42    41    50    54   7.00000 -1.0 2.0
   42    41    50    55   7.00000 -1.0 2.0
   50    54   -62    33  -0.33500  1.0 1.0
   50    54   -62    33   1.06600 -1.0 2.0
   50    54   -62    33  -0.14000  1.0 3.0
   50    54    62    63   1.00000 -1.0 2.0
   50    54    64    65   0.00000  1.0 1.0
   50    54    64    66   0.00000  1.0 1.0
   50    54    64    67   0.00000  1.0 1.0
   54    50    55    56   0.00000  1.0 1.0
   54    50    55    57   0.00000  1.0 1.0
   54    50    55    58   0.00000  1.0 1.0
   62    33   -37    41  -0.51250  1.0 1.0
   62    33   -37    41  -0.88800 -1.0 2.0
   62    33   -37    41   0.08850  1.0 3.0
   62    33    37    43   0.17250  1.0 1.0
   62    33    37    43  -0.04100 -1.0 2.0
   62    33    37    43  -0.33850  1.0 3.0
   62    33    38    39  -0.11250  1.0 3.0
   62    33    38    40  -0.11250  1.0 3.0
   62    33    38    47  -0.95700  1.0 1.0
   62    33    38    47  -0.18200 -1.0 2.0
   62    33    38    47   0.29450  1.0 3.0
   62    54    64    65   0.15000  1.0 3.0
   62    54    64    66   0.15000  1.0 3.0
   62    54    64    67   0.15000  1.0 3.0
   64    54    62    33   0.25700  1.0 1.0
   64    54    62    33   0.66200 -1.0 2.0
   64    54    62    33   0.04450  1.0 3.0
   64    54    62    63  -0.64400  1.0 1.0
   64    54    62    63   0.26850 -1.0 2.0
   55    50    54    62   7.00000 -1.0 2.0
   55    50    54    64   7.00000 -1.0 2.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    50   7.00000 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    62    54   0.65300  1.0 1.0
   38    33    62    54  -0.03850 -1.0 2.0
   38    33    62    54   0.33900  1.0 3.0
   38    33    62    63   0.30150 -1.0 2.0
   38    47    51    52   0.15000  1.0 3.0
   38    47    51    53   0.15000  1.0 3.0
   38    47    51    59   0.56750  1.0 1.0
   38    47    51    59  -0.07550 -1.0 2.0
   38    47    51    59   0.20000  1.0 3.0
   39    38    47    48   0.15000  1.0 3.0
   39    38    47    49   0.15000  1.0 3.0
   39    38    47    51   0.15000  1.0 3.0
   40    38    47    48   0.15000  1.0 3.0
   40    38    47    49   0.15000  1.0 3.0
   40    38    47    51   0.15000  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    61   0.15000  1.0 3.0
   47    51    59    68  -0.74000  1.0 1.0
   47    51    59    68   0.24050 -1.0 2.0
   47    51    59    68   0.24650  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    59   0.15000  1.0 3.0
   51    59    68    69   0.00000  1.0 1.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    68   0.15000  1.0 3.0
   53    51    59    60   0.15000  1.0 3.0
   53    51    59    61   0.15000  1.0 3.0
   53    51    59    68   0.15000  1.0 3.0
   59    68    69    70   0.00000  1.0 1.0
   60    59    68    69   0.00000  1.0 1.0
   61    59    68    69   0.00000  1.0 1.0
   68    69    70    71   0.00000  1.0 1.0
   68    69    70    72   0.00000  1.0 1.0
   68    69    70    73   0.00000  1.0 1.0
   69    70    73    74   0.15000  1.0 3.0
   69    70    73    75   0.15000  1.0 3.0
   69    70    73    76  -0.74000  1.0 1.0
   69    70    73    76   0.24050 -1.0 2.0
   69    70    73    76   0.24650  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79  -0.74000  1.0 1.0
   70    73    76    79   0.24050 -1.0 2.0
   70    73    76    79   0.24650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.00000  1.0 1.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    80    81   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   79    80    81    82   0.00000  1.0 1.0
   79    80    81    83   0.00000  1.0 1.0
   79    80    81    84   0.00000  1.0 1.0
   80    81    84    85   0.35600  1.0 1.0
   80    81    84    85  -0.10750 -1.0 2.0
   80    81    84    85  -0.54400  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  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    43    37    41   1.10000 -1.0 2.0
   50    42    41    37   1.10000 -1.0 2.0
   41    55    50    54   1.10000 -1.0 2.0
   62    64    54    50   1.10000 -1.0 2.0
   33    54    62    63  10.50000 -1.0 2.0
END
