* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    176    280     519
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054    35.29134   137.68836
    3     1 S   H    _H1_     3     1.02060    81.48968   -81.84545
    4     1 S   H    _H2_     4     1.02066    97.67372    26.03938
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.84898    97.29882  -178.15613
   34    33 S   HC   _H4_    37     1.11190   102.68679    39.47008
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C5A  _C22    38     1.46999   112.95214   -80.02765
   39    33 S   CM   _C24    88     1.52919   107.58858   152.73701
   40    39 S   HC   _H22    89     1.09030   115.99097    71.80490
   41    38 S   C5BC _C21    39     1.37853   133.00292   -35.30777
   42    41 S   HA   _H21    40     1.08059   126.11912    -0.30390
   43    39 S   CMA  _C25    90     1.33792   126.44675  -109.97413
   44    43 S   OM   _O34    91     1.39439   118.49258  -178.14681
   45    43 S   OM   _O35    92     1.39368   120.43424     1.53225
   46    41 S   C5BC _C20    41     1.41633   106.08995   179.80021
   47    46 S   C5A  _C19    42     1.37706   105.49115     0.70249
   48    47 S   CT   _C18    43     1.47729   128.11833   177.76139
   49    48 S   HC   _H19    44     1.09850   109.18595   137.38436
   50    48 S   HC   _H20    45     1.09721   111.08431  -104.17184
   51    38 S   OA   _O33    87     1.36236   116.07696   145.08997
   52    48 S   CT   _C17    46     1.54049   109.34487    17.41133
   53    52 S   HC   _H17    47     1.10041   109.37305    80.76625
   54    52 S   HC   _H18    48     1.10224   109.43304  -163.08368
   55    52 S   CT   _C16    49     1.54551   113.11356   -41.83276
   56    55 S   HC   _H15    50     1.11197   107.90307   177.32234
   57    55 S   HC   _H16    51     1.10979   109.47861   -69.37674
   58    46 S   CT   _C15    52     1.49255   132.28300   179.40950
   59    58 S   HC   _H3_    53     1.12798   107.81387   -49.73610
   60    58 S   CA   _C13    54     1.51830   107.16207    65.72959
   61    60 S   CA   _C12    55     1.38566   120.15595  -115.67537
   62    61 S   HA   _H13    56     1.08604   120.72709    -0.47395
   63    61 S   CA   _C11    57     1.39365   119.65198   179.35048
   64    63 S   HA   _H12    58     1.08690   117.52707   179.45607
   65    63 S   CA   _C10    59     1.41293   121.83105    -0.14127
   66    65 S   CA   _C9_    60     1.41715   118.48188     2.05243
   67    60 S   CA   _C14    61     1.39364   120.15253    64.51994
   68    67 S   HA   _H14    62     1.08739   118.05372    -0.74808
   69    66 S   CT   _C8_    63     1.53375   122.39071   178.96542
   70    69 S   CT   _C7_    64     1.54477   111.65246   -15.42151
   71    70 S   HC   _H10    65     1.09793   110.32255   -76.55387
   72    70 S   HC   _H11    66     1.09757   110.18424   167.07739
   73    69 S   CT   _C26    79     1.54487   108.69186   105.94627
   74    73 S   HC   _H23    80     1.08352   108.90187   179.96574
   75    73 S   HC   _H24    81     1.08262   108.94776    60.02905
   76    73 S   HC   _H25    82     1.08276   108.94634   -60.01716
   77    69 S   CT   _C27    83     1.54806   111.86152  -134.49636
   78    77 S   HC   _H26    84     1.08135   108.77890  -179.97202
   79    77 S   HC   _H27    85     1.08185   108.78957    59.99132
   80    77 S   HC   _H28    86     1.08208   108.75134   -60.04031
   81    70 S   CT   _C6_    67     1.51986   112.01703    45.33395
   82    81 S   HC   _H8_    68     1.09703   109.20159    60.20082
   83    81 S   HC   _H9_    69     1.09753   109.14015   175.34205
   84    65 S   CT   _C5_    70     1.53397   119.09696  -179.78878
   85    84 S   CT   _C4_    71     1.54772   111.86100    47.35808
   86    85 S   HC   _H5_    72     1.08206   108.79070   179.95577
   87    85 S   HC   _H6_    73     1.08204   108.86066    59.95937
   88    85 S   HC   _H7_    74     1.08278   108.78132   -60.06281
   89    84 S   CT   _C28    75     1.54437   108.75227   -72.22100
   90    89 S   HC   _H29    76     1.08208   108.99102  -180.00000
   91    89 S   HC   _H30    77     1.08326   108.91115    59.99851
   92    89 S   HC   _H31    78     1.08342   108.92963   -59.94991
  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   8   5   4   3
  12   6   2   1   1  10   6   3   9   4   2   1   1  14  11  10
   6   5   2   8   5   4   7   4   3   8   3   9   8   4   9   3
  19  18   6   1  15  16   7   6   8   3   2   1   4   2   1   1
  11   4   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    47    51    39    40    43    44    45  
   38    41    51    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    58    51    39    40    43  
   40    43    44    45    41    51  
   43    44    45  
   42    46    47    48    55    58    59    60    51  
   46    47    58    51  
   44    45  
   45  
    0  
   47    48    49    50    52    55    56    57    58    59    60    61    67    51  
   48    49    50    52    53    54    55    58    59    60    51  
   49    50    52    53    54    55    56    57    58    51  
   50    52    53    54    55    51  
   52    53    54    55    51  
   52    58  
   53    54    55    56    57    58    59    60  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    60    61    67  
   57    58    59    60  
   58    59    60  
   59    60    61    62    63    66    67    68  
   60    61    67  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66    67    68    84  
   63    64    65    67  
   64    65    66    67    69    81    84    85    89  
   65    66    84  
   66    67    68    69    70    81    82    83    84    85    86    87    88    89    90    91    92    73    77  
   67    68    69    70    71    72    81    84    85    89    73    74    75    76    77    78    79    80  
   68    69    70    84    73    77  
   69  
   70    71    72    81    82    83    84    73    74    75    76    77    78    79    80  
   71    72    81    82    83    84    85    89    73    74    75    76    77    78    79    80  
   72    81    82    83    84    73    77  
   81    82    83    84    73    77  
   74    75    76    77    78    79    80    81  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90    91    92  
   83    84    85    89  
   84    85    89  
   85    86    87    88    89    90    91    92  
   86    87    88    89    90    91    92  
   87    88    89  
   88    89  
   89  
   90    91    92  
   91    92  
   92  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   295.000  1.489
   33    39   317.000  1.510
   38    41   546.000  1.367
   38    51   340.000  1.360
   41    42   367.000  1.080
   41    46   469.000  1.424
   46    47   546.000  1.367
   46    58   285.000  1.502
   47    48   295.000  1.489
   47    51   340.000  1.360
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   60    61   469.000  1.400
   60    67   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    84   317.000  1.510
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   69    70   268.000  1.529
   69    73   268.000  1.529
   69    77   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   268.000  1.529
   84    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    50.00000  133.50000
   33    38    51    80.00000  116.10000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    45.00000  110.47400
   38    41    42    35.00000  125.70000
   38    41    46    70.00000  107.30000
   38    51    47    70.00000  106.50000
   41    46    47    70.00000  107.30000
   41    46    58    60.00000  130.00000
   46    41    42    35.00000  127.50000
   46    47    48    50.00000  133.50000
   46    47    51    70.00000  110.60000
   46    58    55    70.00000  112.17500
   46    58    59    35.00000  109.50000
   46    58    60    70.00000  112.04700
   47    48    49    45.00000  110.47400
   47    48    50    45.00000  110.47400
   47    48    52    70.00000  113.44400
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    70.00000  112.17500
   57    55    56    33.00000  107.80000
   58    46    47    60.00000  130.00000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    61    70.00000  120.00000
   58    60    67    70.00000  120.00000
   60    58    59    35.00000  109.50000
   60    61    62    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    67    66    63.00000  120.00000
   60    67    68    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    84    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    63.00000  120.00000
   65    66    69    70.00000  120.00000
   65    84    81    70.00000  112.17500
   65    84    85    70.00000  112.17500
   65    84    89    70.00000  112.17500
   66    67    68    35.00000  120.00000
   66    69    70    70.00000  112.17500
   66    69    73    70.00000  112.17500
   66    69    77    70.00000  112.17500
   67    60    61    63.00000  120.00000
   69    66    67    70.00000  120.00000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    81    58.35000  112.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   70    81    82    37.50000  110.70000
   70    81    83    37.50000  110.70000
   70    81    84    58.35000  112.70000
   72    70    71    33.00000  107.80000
   81    70    71    37.50000  110.70000
   81    70    72    37.50000  110.70000
   81    84    85    58.35000  112.70000
   81    84    89    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    65    66    70.00000  120.00000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    85    86    37.50000  110.70000
   84    85    87    37.50000  110.70000
   84    85    88    37.50000  110.70000
   84    89    90    37.50000  110.70000
   84    89    91    37.50000  110.70000
   84    89    92    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    84    85    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    69    70    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    70    58.35000  112.70000
   77    69    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   51    38    41    70.00000  110.60000
   51    47    48    80.00000  116.10000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.40000
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51   0.04300 -1.0 2.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    51    47   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41   -46    47   3.62500 -1.0 2.0
   38    41    46    58   3.62500 -1.0 2.0
   41    38   -51    47   3.62500 -1.0 2.0
   41    46    47    48   3.62500 -1.0 2.0
   41    46   -47    51   3.62500 -1.0 2.0
   41    46    58    55   0.04150 -1.0 2.0
   41    46    58    59   0.00000  1.0 1.0
   41    46    58    60   0.04300 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    58   3.62500 -1.0 2.0
   46    47    48    49   0.00000  1.0 1.0
   46    47    48    50   0.00000  1.0 1.0
   46    47    48    52   0.04150 -1.0 2.0
   46    47   -51    38   3.62500 -1.0 2.0
   46    58    60    61   0.04300 -1.0 2.0
   46    58    60    67   0.04300 -1.0 2.0
   47    46    58    55   0.04150 -1.0 2.0
   47    46    58    59   0.00000  1.0 1.0
   47    46    58    60   0.04300 -1.0 2.0
   47    48    52    53   0.43200  1.0 3.0
   47    48    52    54   0.43200  1.0 3.0
   47    48   -52    55  -0.03700  1.0 1.0
   47    48   -52    55   0.37200 -1.0 2.0
   47    48   -52    55  -0.47300  1.0 3.0
   48    47    51    38   3.62500 -1.0 2.0
   48    52    55    56   0.15000  1.0 3.0
   48    52    55    57   0.15000  1.0 3.0
   48    52    55    58   0.56750  1.0 1.0
   48    52    55    58  -0.07550 -1.0 2.0
   48    52    55    58   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   50    48    52    55   0.15000  1.0 3.0
   52    55   -58    46  -0.03700  1.0 1.0
   52    55   -58    46   0.37200 -1.0 2.0
   52    55   -58    46  -0.47300  1.0 3.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60  -0.03700  1.0 1.0
   52    55    58    60   0.37200 -1.0 2.0
   52    55    58    60  -0.47300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    60    61   0.04150 -1.0 2.0
   55    58    60    67   0.04150 -1.0 2.0
   56    55    58    46   0.43200  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.43200  1.0 3.0
   57    55    58    46   0.43200  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.43200  1.0 3.0
   58    46   -47    48   3.62500 -1.0 2.0
   58    46    47    51   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    63   3.62500 -1.0 2.0
   58    60    67    66   3.62500 -1.0 2.0
   58    60    67    68   3.62500 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    67   0.00000  1.0 1.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    67    66   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    63   -65    66   3.62500 -1.0 2.0
   61    63    65    84   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    69   3.62500 -1.0 2.0
   63    65    84    81   0.04150 -1.0 2.0
   63    65    84    85   0.04150 -1.0 2.0
   63    65    84    89   0.04150 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    84   3.62500 -1.0 2.0
   65    66   -67    60   3.62500 -1.0 2.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    69    70   0.04150 -1.0 2.0
   65    66    69    73   0.04150 -1.0 2.0
   65    66    69    77   0.04150 -1.0 2.0
   65    84    85    86   0.43200  1.0 3.0
   65    84    85    87   0.43200  1.0 3.0
   65    84    85    88   0.43200  1.0 3.0
   65    84    89    90   0.43200  1.0 3.0
   65    84    89    91   0.43200  1.0 3.0
   65    84    89    92   0.43200  1.0 3.0
   66    65    84    81   0.04150 -1.0 2.0
   66    65    84    85   0.04150 -1.0 2.0
   66    65    84    89   0.04150 -1.0 2.0
   66    69    70    71   0.43200  1.0 3.0
   66    69    70    72   0.43200  1.0 3.0
   66    69   -70    81  -0.03700  1.0 1.0
   66    69   -70    81   0.37200 -1.0 2.0
   66    69   -70    81  -0.47300  1.0 3.0
   66    69    73    74   0.43200  1.0 3.0
   66    69    73    75   0.43200  1.0 3.0
   66    69    73    76   0.43200  1.0 3.0
   66    69    77    78   0.43200  1.0 3.0
   66    69    77    79   0.43200  1.0 3.0
   66    69    77    80   0.43200  1.0 3.0
   67    60    61    62   3.62500 -1.0 2.0
   67    60   -61    63   3.62500 -1.0 2.0
   67    66    69    70   0.04150 -1.0 2.0
   67    66    69    73   0.04150 -1.0 2.0
   67    66    69    77   0.04150 -1.0 2.0
   69    66    67    60   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    70    81    82   0.15000  1.0 3.0
   69    70    81    83   0.15000  1.0 3.0
   69    70    81    84   0.56750  1.0 1.0
   69    70    81    84  -0.07550 -1.0 2.0
   69    70    81    84   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   70    81   -84    65  -0.03700  1.0 1.0
   70    81   -84    65   0.37200 -1.0 2.0
   70    81   -84    65  -0.47300  1.0 3.0
   70    81    84    85   0.56750  1.0 1.0
   70    81    84    85  -0.07550 -1.0 2.0
   70    81    84    85   0.20000  1.0 3.0
   70    81    84    89   0.56750  1.0 1.0
   70    81    84    89  -0.07550 -1.0 2.0
   70    81    84    89   0.20000  1.0 3.0
   71    70    81    82   0.15000  1.0 3.0
   71    70    81    83   0.15000  1.0 3.0
   71    70    81    84   0.15000  1.0 3.0
   72    70    81    82   0.15000  1.0 3.0
   72    70    81    83   0.15000  1.0 3.0
   72    70    81    84   0.15000  1.0 3.0
   81    84    85    86   0.15000  1.0 3.0
   81    84    85    87   0.15000  1.0 3.0
   81    84    85    88   0.15000  1.0 3.0
   81    84    89    90   0.15000  1.0 3.0
   81    84    89    91   0.15000  1.0 3.0
   81    84    89    92   0.15000  1.0 3.0
   82    81    84    65   0.43200  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    89   0.15000  1.0 3.0
   83    81    84    65   0.43200  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    89   0.15000  1.0 3.0
   84    65    66    67   3.62500 -1.0 2.0
   84    65   -66    69   3.62500 -1.0 2.0
   85    84    89    90   0.15000  1.0 3.0
   85    84    89    91   0.15000  1.0 3.0
   85    84    89    92   0.15000  1.0 3.0
   89    84    85    86   0.15000  1.0 3.0
   89    84    85    87   0.15000  1.0 3.0
   89    84    85    88   0.15000  1.0 3.0
   73    69    70    71   0.15000  1.0 3.0
   73    69    70    72   0.15000  1.0 3.0
   73    69    70    81   0.56750  1.0 1.0
   73    69    70    81  -0.07550 -1.0 2.0
   73    69    70    81   0.20000  1.0 3.0
   73    69    77    78   0.15000  1.0 3.0
   73    69    77    79   0.15000  1.0 3.0
   73    69    77    80   0.15000  1.0 3.0
   77    69    70    71   0.15000  1.0 3.0
   77    69    70    72   0.15000  1.0 3.0
   77    69    70    81   0.56750  1.0 1.0
   77    69    70    81  -0.07550 -1.0 2.0
   77    69    70    81   0.20000  1.0 3.0
   77    69    73    74   0.15000  1.0 3.0
   77    69    73    75   0.15000  1.0 3.0
   77    69    73    76   0.15000  1.0 3.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    46   3.62500 -1.0 2.0
   51    47    48    49   0.00000  1.0 1.0
   51    47    48    50   0.00000  1.0 1.0
   51    47    48    52   0.38650  1.0 1.0
   51    47    48    52  -0.24750 -1.0 2.0
   51    47    48    52   0.76750  1.0 3.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    51   0.04300 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   41    51    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    58    46    41   4.00000 -1.0 2.0
   48    51    47    46   4.00000 -1.0 2.0
   61    67    60    58   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    84    65    63   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   66    68    67    60   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
