* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    164    256     479
    1     0 S   NP   _N1_     1    29.43067    93.31337   -25.90322
    2     1 S   H    _HN1     2     1.02953    85.49882    18.00049
    3     1 S   H    _H1_     3     1.02839    21.68150  -155.34666
    4     1 S   H    _H2_     4     1.02779   118.58552   -90.47297
    5     1 S   CT   _CA1     5     1.50118   117.79388   128.73329
    6     5 S   HC   _HA1     6     1.09566   105.25633    81.69765
    7     5 S   CO3  _C1_     7     1.53787   112.35787   -38.65419
    8     7 S   O2Z  _O11     8     1.26373   114.98055   -43.80242
    9     7 S   O2Z  _O12     9     1.26231   114.92179   135.36283
   10     5 S   CT   _CB1    10     1.53069   107.44302  -160.25576
   11    10 S   HC   HB11    11     1.09817   109.46022   -49.61705
   12    10 S   HC   HB12    12     1.09742   110.25361    67.00285
   13    10 S   CT   _CG1    13     1.52992   112.70665  -170.83912
   14    13 S   HC   HG11    14     1.09593   110.46932   -63.83819
   15    13 S   HC   HG12    15     1.09652   109.94991    55.38062
   16    13 S   C    _CD1    16     1.51821   112.30895   175.75139
   17    16 S   O    _OE1    17     1.22716   123.30591    -0.58817
   18    16 S   N    _N2_    18     1.38624   111.67939   179.61033
   19    18 S   H    _HN2    19     1.01582   119.03698     1.93087
   20    18 S   CT1  _CA2    20     1.46104   123.35895  -180.00000
   21    20 S   HC   _HA2    21     1.09596   109.32689    -1.50948
   22    20 S   C    _C2_    22     1.53479   108.85115  -116.74658
   23    22 S   O    _O2_    23     1.23042   122.08600  -146.45586
   24    20 S   CT   _CB2    32     1.53321   111.52622   120.74664
   25    24 S   HC   HB21    33     1.09651   109.70477    60.35983
   26    24 S   HC   HB22    34     1.09566   111.03092   177.87164
   27    22 S   N    _N3_    24     1.38462   113.57768    41.11947
   28    27 S   H    _HN3    25     1.01485   119.00546    -0.75303
   29    24 S   S    _SG2    35     1.82834   114.29167   -59.47179
   30    27 S   CT   _CA3    26     1.45451   123.45666   174.57942
   31    30 S   HC   HA31    27     1.09520   109.27100    24.30775
   32    30 S   HC   HA32    28     1.09494   107.13260   141.35842
   33    29 S   CT   _C17    36     1.82289    99.69418   -68.30731
   34    33 S   HC   _H20    37     1.09354   109.12915    67.08157
   35    33 S   HC   _H21    38     1.09447   108.51249   -51.13563
   36    30 S   CO3  _C3_    29     1.52936   113.02331   -99.15503
   37    36 S   O2Z  _O31    30     1.26411   115.38758   -44.43839
   38    36 S   O2Z  _O32    31     1.26347   114.99296   136.43021
   39    33 S   CT   _C16    39     1.53123   109.73961  -172.06078
   40    39 S   HC   _H18    40     1.09626   109.70899   -54.93121
   41    39 S   HC   _H19    41     1.09870   109.95150    59.87189
   42    39 S   CM   _C15    42     1.52429   112.04588  -178.29682
   43    42 S   CA   _C18    43     1.48431   113.20273   -80.17532
   44    42 S   CM   _C14    54     1.36093   125.26574   102.06896
   45    43 S   CA   _C19    44     1.40162   120.23154   -77.12807
   46    45 S   HA   _H22    45     1.08741   120.57492     0.20653
   47    44 S   CA   _C24    55     1.48252   119.66581    -2.92750
   48    44 S   CA   _C11    66     1.48570   120.71214   177.08261
   49    45 S   CA   _C20    46     1.39562   120.25675  -179.43317
   50    49 S   HA   _H23    47     1.08629   119.93421   179.87333
   51    47 S   CA   _C25    56     1.40101   120.39807   -85.47581
   52    51 S   HA   _H27    57     1.08739   120.71198     0.55072
   53    48 S   CA   _C10    67     1.40005   120.27006    99.47755
   54    53 S   HA   _H15    68     1.08768   120.50562    -0.21122
   55    49 S   CA   _C21    48     1.39405   120.09248    -0.06561
   56    55 S   HA   _H24    49     1.08624   119.98429  -180.00000
   57    51 S   CA   _C26    58     1.39522   120.17940  -179.54030
   58    57 S   HA   _H28    59     1.08609   119.80529  -180.00000
   59    53 S   CA   _C9_    69     1.39845   120.50883  -179.78330
   60    59 S   HA   _H14    70     1.08535   117.78949   179.88809
   61    55 S   CA   _C22    50     1.39393   120.02198    -0.04423
   62    61 S   HA   _H25    51     1.08624   119.99063  -179.91153
   63    57 S   CA   _C27    60     1.39385   120.13562    -0.12972
   64    63 S   HA   _H29    61     1.08621   120.01455  -179.67135
   65    59 S   CA   _C8_    71     1.39633   120.18830    -0.19383
   66    43 S   CA   _C23    52     1.40210   120.48665   103.27399
   67    66 S   HA   _H26    53     1.08744   120.59180    -0.64072
   68    63 S   CA   _C28    62     1.39417   119.98778     0.35773
   69    68 S   HA   _H30    63     1.08629   119.95834   179.88465
   70    65 S   CA   _C13    72     1.39851   119.29829    -0.41022
   71    70 S   HA   _H17    73     1.08739   120.18913  -179.66662
   72    65 S   OS   _O33    76     1.36904   125.86685   179.85329
   73    47 S   CA   _C29    64     1.40142   120.17436    95.32112
   74    73 S   HA   _H31    65     1.08728   120.63189    -0.55497
   75    48 S   CA   _C12    74     1.39929   120.51003   -81.10085
   76    75 S   HA   _H16    75     1.08732   120.66110    -0.01978
   77    72 S   CT   _C7_    77     1.42871   117.08017    -3.44344
   78    77 S   HC   _H12    78     1.09664   109.62175    63.82766
   79    77 S   HC   _H13    79     1.09517   110.78063   -56.75293
   80    77 S   CT   _C6_    80     1.52614   108.22447  -178.26765
   81    80 S   HC   _H10    81     1.09565   109.40996   -57.73467
   82    80 S   HC   _H11    82     1.09468   112.26203  -179.69353
   83    80 S   NP   _N4_    83     1.51825   110.92172    59.40481
   84    83 S   H    _H6_    84     1.02999   106.76155   -45.42508
   85    83 S   CT   _C4_    85     1.50475   113.60555    72.46734
   86    85 S   HC   _H3_    86     1.09312   108.62240    59.21825
   87    85 S   HC   _H4_    87     1.09345   108.08847   179.58931
   88    85 S   HC   _H5_    88     1.09158   108.68146   -61.94096
   89    83 S   CT   _C5_    89     1.50588   111.39813  -161.30003
   90    89 S   HC   _H7_    90     1.09325   108.53596   -62.71300
   91    89 S   HC   _H8_    91     1.09319   108.14203    57.94132
   92    89 S   HC   _H9_    92     1.09323   108.15368   176.64415
  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   7   5   4   3
   8   5   4   2   1   1   9   4   3  14  12  16   8   4  12  11
   6   3   8   4   8   4   5   3   6   3   7   3   3   2   5   3
   9   1   1   3   2   5   3   8   1   1   1   1   9   5   4  12
   5   4   9   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    45    66    44    47    48  
   41    42    43    44  
   42    43    44  
   43    45    46    49    61    66    67    44    47    51    73    48    53    75  
   45    46    49    50    55    61    62    66    67    44    47    48  
   47    51    52    57    68    73    74    48    53    54    59    70    75    76    45    66  
   46    49    50    55    56    61    66    67  
   49    50    55    66  
   51    52    57    58    63    68    69    73    74    48    53    75  
   53    54    59    60    65    70    71    75    76    51    73  
   50    55    56    61    62    66  
   55    56    61  
   52    57    58    63    64    68    73    74  
   57    58    63    73  
   54    59    60    65    70    75    76    72  
   59    60    65    75  
   56    61    62    66    67  
   61    62    66  
   58    63    64    68    69    73  
   63    64    68  
   60    65    70    71    75    72    77  
   65    70    72  
   62    66    67  
   66    67  
   64    68    69    73    74  
   68    69    73  
   70    71    75    76    72    77    78    79    80  
   67  
    0  
   69    73    74  
   73    74  
   71    75    76    72    77  
   75    76    72  
   77    78    79    80    81    82    83    75  
   74  
    0  
   76  
    0  
   78    79    80    81    82    83    84    85    89  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89    90    91    92  
   82    83    84    85    89  
   83    84    85    89  
   84    85    86    87    88    89    90    91    92  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   84   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   317.000  1.510
   42    43   320.000  1.460
   42    44   549.000  1.340
   43    45   469.000  1.400
   43    66   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   367.000  1.080
   44    47   320.000  1.460
   44    48   320.000  1.460
   47    51   469.000  1.400
   47    73   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    74   367.000  1.080
   48    53   469.000  1.400
   48    75   469.000  1.400
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    70   469.000  1.400
   65    72   450.000  1.364
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   367.000  1.080
   72    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   367.000  1.471
   83    84   434.000  1.010
   83    85   367.000  1.471
   83    89   367.000  1.471
   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
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  112.02700
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    65.00000  118.87000
   39    42    44    70.00000  124.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    45    60.00000  120.93500
   42    43    66    60.00000  120.93500
   42    44    47    60.00000  123.20500
   42    44    48    60.00000  123.20500
   43    45    46    35.00000  120.00000
   43    45    49    63.00000  120.00000
   43    66    61    63.00000  120.00000
   43    66    67    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    55    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    61    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    61    62    35.00000  120.00000
   55    61    66    63.00000  120.00000
   61    55    56    35.00000  120.00000
   61    66    67    35.00000  120.00000
   66    43    45    63.00000  120.00000
   66    61    62    35.00000  120.00000
   44    42    43    60.00000  123.20500
   44    47    51    60.00000  120.93500
   44    47    73    60.00000  120.93500
   44    48    53    60.00000  120.93500
   44    48    75    60.00000  120.93500
   47    51    52    35.00000  120.00000
   47    51    57    63.00000  120.00000
   47    73    68    63.00000  120.00000
   47    73    74    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    63    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    68    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    73    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    73    74    35.00000  120.00000
   73    47    51    63.00000  120.00000
   73    68    69    35.00000  120.00000
   48    44    47    60.00000  122.92000
   48    53    54    35.00000  120.00000
   48    53    59    63.00000  120.00000
   48    75    70    63.00000  120.00000
   48    75    76    35.00000  120.00000
   53    59    60    35.00000  120.00000
   53    59    65    63.00000  120.00000
   59    53    54    35.00000  120.00000
   59    65    70    63.00000  120.00000
   59    65    72    70.00000  120.00000
   65    59    60    35.00000  120.00000
   65    70    71    35.00000  120.00000
   65    70    75    63.00000  120.00000
   65    72    77    75.00000  111.00000
   70    75    76    35.00000  120.00000
   75    48    53    63.00000  120.00000
   75    70    71    35.00000  120.00000
   72    65    70    70.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    50.00000  109.50000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    80.00000  111.20000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    35.00000  109.50000
   80    83    85    75.00000  113.01200
   80    83    89    75.00000  113.01200
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   83    85    86    35.00000  109.50000
   83    85    87    35.00000  109.50000
   83    85    88    35.00000  109.50000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   85    83    84    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    83    84    35.00000  109.50000
   89    83    85    75.00000  113.01200
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.01700  1.0 1.0
   33    39    42    43   0.06550 -1.0 2.0
   33    39    42    43  -0.91500  1.0 3.0
   33    39    42    44   0.09850  1.0 1.0
   33    39    42    44   0.15250 -1.0 2.0
   33    39    42    44  -0.50650  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    45  -0.02500  1.0 1.0
   39    42    43    45  -0.32150 -1.0 2.0
   39    42    43    45  -0.01500  1.0 3.0
   39    42    43    66  -0.02500  1.0 1.0
   39    42    43    66  -0.32150 -1.0 2.0
   39    42    43    66  -0.01500  1.0 3.0
   39    42    44    47   7.00000 -1.0 2.0
   39    42    44    48   7.00000 -1.0 2.0
   40    39    42    43   0.77000  1.0 3.0
   40    39    42    44   0.00000  1.0 1.0
   41    39    42    43   0.77000  1.0 3.0
   41    39    42    44   0.00000  1.0 1.0
   42    43    45    46   3.62500 -1.0 2.0
   42    43    45    49   3.62500 -1.0 2.0
   42    43    66    61   3.62500 -1.0 2.0
   42    43    66    67   3.62500 -1.0 2.0
   42    44    47    51   0.15800  1.0 1.0
   42    44    47    51   1.85350 -1.0 2.0
   42    44    47    51  -0.48700  1.0 3.0
   42    44    47    73   0.15800  1.0 1.0
   42    44    47    73   1.85350 -1.0 2.0
   42    44    47    73  -0.48700  1.0 3.0
   42    44    48    53   0.15800  1.0 1.0
   42    44    48    53   1.85350 -1.0 2.0
   42    44    48    53  -0.48700  1.0 3.0
   42    44    48    75   0.15800  1.0 1.0
   42    44    48    75   1.85350 -1.0 2.0
   42    44    48    75  -0.48700  1.0 3.0
   43    42    44    47   7.00000 -1.0 2.0
   43    42    44    48   7.00000 -1.0 2.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    55   3.62500 -1.0 2.0
   45    43    66    61   3.62500 -1.0 2.0
   45    43    66    67   3.62500 -1.0 2.0
   45    49    55    56   3.62500 -1.0 2.0
   45    49   -55    61   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    55   3.62500 -1.0 2.0
   49    55    61    62   3.62500 -1.0 2.0
   49    55    61    66   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    61   3.62500 -1.0 2.0
   55    61   -66    43   3.62500 -1.0 2.0
   55    61    66    67   3.62500 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    55    61    66   3.62500 -1.0 2.0
   62    61    66    43   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   66    43    45    46   3.62500 -1.0 2.0
   66    43   -45    49   3.62500 -1.0 2.0
   44    42    43    45   0.15800  1.0 1.0
   44    42    43    45   1.85350 -1.0 2.0
   44    42    43    45  -0.48700  1.0 3.0
   44    42    43    66   0.15800  1.0 1.0
   44    42    43    66   1.85350 -1.0 2.0
   44    42    43    66  -0.48700  1.0 3.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47    51    57   3.62500 -1.0 2.0
   44    47    73    68   3.62500 -1.0 2.0
   44    47    73    74   3.62500 -1.0 2.0
   44    48    53    54   3.62500 -1.0 2.0
   44    48    53    59   3.62500 -1.0 2.0
   44    48    75    70   3.62500 -1.0 2.0
   44    48    75    76   3.62500 -1.0 2.0
   47    44    48    53  -0.01750  1.0 1.0
   47    44    48    53  -0.32000 -1.0 2.0
   47    44    48    53   0.00600  1.0 3.0
   47    44    48    75  -0.01750  1.0 1.0
   47    44    48    75  -0.32000 -1.0 2.0
   47    44    48    75   0.00600  1.0 3.0
   47    51    57    58   3.62500 -1.0 2.0
   47    51    57    63   3.62500 -1.0 2.0
   51    47    73    68   3.62500 -1.0 2.0
   51    47    73    74   3.62500 -1.0 2.0
   51    57    63    64   3.62500 -1.0 2.0
   51    57   -63    68   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    63   3.62500 -1.0 2.0
   57    63    68    69   3.62500 -1.0 2.0
   57    63    68    73   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    68   3.62500 -1.0 2.0
   63    68   -73    47   3.62500 -1.0 2.0
   63    68    73    74   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    73   3.62500 -1.0 2.0
   69    68    73    47   3.62500 -1.0 2.0
   69    68    73    74   3.62500 -1.0 2.0
   73    47    51    52   3.62500 -1.0 2.0
   73    47   -51    57   3.62500 -1.0 2.0
   48    44    47    51  -0.01750  1.0 1.0
   48    44    47    51  -0.32000 -1.0 2.0
   48    44    47    51   0.00600  1.0 3.0
   48    44    47    73  -0.01750  1.0 1.0
   48    44    47    73  -0.32000 -1.0 2.0
   48    44    47    73   0.00600  1.0 3.0
   48    53    59    60   3.62500 -1.0 2.0
   48    53    59    65   3.62500 -1.0 2.0
   53    48    75    70   3.62500 -1.0 2.0
   53    48    75    76   3.62500 -1.0 2.0
   53    59   -65    70   3.62500 -1.0 2.0
   53    59    65    72   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    53    59    65   3.62500 -1.0 2.0
   59    65    70    71   3.62500 -1.0 2.0
   59    65    70    75   3.62500 -1.0 2.0
   59    65    72    77   1.63200 -1.0 2.0
   60    59    65    70   3.62500 -1.0 2.0
   60    59    65    72   3.62500 -1.0 2.0
   65    70   -75    48   3.62500 -1.0 2.0
   65    70    75    76   3.62500 -1.0 2.0
   65    72    77    78   0.08050  1.0 3.0
   65    72    77    79   0.08050  1.0 3.0
   65    72    77    80  -0.32850  1.0 1.0
   65    72    77    80  -0.35800 -1.0 2.0
   65    72    77    80   0.33950  1.0 3.0
   70    65    72    77   1.63200 -1.0 2.0
   71    70    75    48   3.62500 -1.0 2.0
   71    70    75    76   3.62500 -1.0 2.0
   75    48    53    54   3.62500 -1.0 2.0
   75    48   -53    59   3.62500 -1.0 2.0
   72    65    70    71   3.62500 -1.0 2.0
   72    65    70    75   3.62500 -1.0 2.0
   72    77    80    81   0.23400  1.0 3.0
   72    77    80    82   0.23400  1.0 3.0
   72    77    80    83   1.69300  1.0 1.0
   72    77    80    83  -0.48450 -1.0 2.0
   77    80    83    84   0.17350  1.0 3.0
   77    80    83    85   0.47100  1.0 1.0
   77    80    83    89   0.47100  1.0 1.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.19200  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.19200  1.0 3.0
   80    83    85    86   0.15000  1.0 3.0
   80    83    85    87   0.15000  1.0 3.0
   80    83    85    88   0.15000  1.0 3.0
   80    83    89    90   0.15000  1.0 3.0
   80    83    89    91   0.15000  1.0 3.0
   80    83    89    92   0.15000  1.0 3.0
   81    80    83    84   0.13050  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    89   0.15000  1.0 3.0
   82    80    83    84   0.13050  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    89   0.15000  1.0 3.0
   84    83    85    86   0.13050  1.0 3.0
   84    83    85    87   0.13050  1.0 3.0
   84    83    85    88   0.13050  1.0 3.0
   84    83    89    90   0.13050  1.0 3.0
   84    83    89    91   0.13050  1.0 3.0
   84    83    89    92   0.13050  1.0 3.0
   85    83    89    90   0.15000  1.0 3.0
   85    83    89    91   0.15000  1.0 3.0
   85    83    89    92   0.15000  1.0 3.0
   89    83    85    86   0.15000  1.0 3.0
   89    83    85    87   0.15000  1.0 3.0
   89    83    85    88   0.15000  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    42    44  15.00000 -1.0 2.0
   45    66    43    42   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   55    50    49    45   1.10000 -1.0 2.0
   61    56    55    49   1.10000 -1.0 2.0
   66    62    61    55   1.10000 -1.0 2.0
   61    67    66    43   1.10000 -1.0 2.0
   47    48    44    42  15.00000 -1.0 2.0
   51    73    47    44   4.00000 -1.0 2.0
   57    52    51    47   1.10000 -1.0 2.0
   63    58    57    51   1.10000 -1.0 2.0
   68    64    63    57   1.10000 -1.0 2.0
   73    69    68    63   1.10000 -1.0 2.0
   68    74    73    47   1.10000 -1.0 2.0
   53    75    48    44   4.00000 -1.0 2.0
   59    54    53    48   1.10000 -1.0 2.0
   65    60    59    53   1.10000 -1.0 2.0
   70    72    65    59   4.00000 -1.0 2.0
   75    71    70    65   1.10000 -1.0 2.0
   70    76    75    48   1.10000 -1.0 2.0
END
