* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    263     499
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02120    38.54276  -152.71595
    3     1 S   H    _H1_     3     1.02082   101.05171   -46.50566
    4     1 S   H    _H2_     4     1.02077    76.12980    60.23784
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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   167.74439
   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    57.98761
   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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04858
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C21    36     1.82256    98.12501  -179.98022
   34    33 S   HC   _H3_    37     1.09346   107.75236    38.47462
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CT   _C14    38     1.52693   109.60750   -80.05025
   39    38 S   HC   _H40    39     1.09326   107.61937    38.95816
   40    33 S   CT   _C19    84     1.52312   109.78098   157.42649
   41    40 S   HC   _H46    85     1.09574   110.37397    62.04858
   42    40 S   HC   _H47    86     1.09574   111.17304   -56.92187
   43    40 S   HC   _H48    87     1.09524   111.96864  -178.26957
   44    38 S   CO4  _C6_    40     1.51632   108.55595   157.70151
   45    44 S   O    _O20    41     1.22314   124.54202    71.14950
   46    38 S   CT   _C11    68     1.53422   111.31993   -81.00396
   47    46 S   HC   _H35    69     1.09986   107.65657   -57.71099
   48    46 S   HC   _H36    70     1.09720   109.12634    56.20673
   49    44 S   OS   _O24    42     1.36085   109.19323  -110.35064
   50    49 S   CT   _C16    43     1.43824   117.03995  -169.63587
   51    50 S   HC   _H42    44     1.09544   109.99645    39.84527
   52    50 S   CT   _C10    45     1.52213   110.19438   -85.24805
   53    52 S   HC   _H33    46     1.09609   110.40647   167.47516
   54    52 S   HC   _H34    47     1.09314   113.64473    44.60946
   55    52 S   CT   _C12    48     1.51758   102.28731   -75.17228
   56    55 S   HC   _H37    49     1.09445   110.85093    75.48777
   57    55 S   HC   _H38    50     1.09421   113.88279  -159.61945
   58    55 S   NTX  _N19    51     1.50757   104.35073   -41.16622
   59    58 S   ONX  _O22    52     1.36709   110.24419   -95.76144
   60    58 S   CT   _C8_    53     1.51880   113.59341   139.20688
   61    60 S   HC   _H29    54     1.09515   107.53077   118.27697
   62    60 S   HC   _H30    55     1.09218   109.57811    -1.24694
   63    60 S   CM   _C4_    56     1.49179   106.19616  -122.03130
   64    63 S   HC   _H28    57     1.07965   123.37936  -174.07245
   65    63 S   CM   _C5_    58     1.33895   111.85198     4.73913
   66    65 S   CT   _C9_    59     1.49097   125.89470  -176.24063
   67    66 S   HC   _H31    60     1.09781   111.64895     9.90177
   68    66 S   HC   _H32    61     1.09560   109.34225   126.97203
   69    50 S   CT   _C13    82     1.53326   109.46772   162.03211
   70    69 S   HC   _H39    83     1.09779   110.48827  -156.03327
   71    66 S   OS   _O23    62     1.44131   113.10689  -114.00487
   72    71 S   CO4  _C7_    63     1.36823   116.93020    84.60644
   73    72 S   O    _O21    64     1.22649   125.13407   -14.17432
   74    72 S   CT   _C17    65     1.53141   110.95466   161.25260
   75    74 S   CT   _C15    66     1.56025   113.99881    58.90986
   76    75 S   HC   _H41    67     1.09743   108.90292   -45.19741
   77    74 S   CT   _C20    75     1.53857   106.17914   -66.84912
   78    77 S   HC   _H49    76     1.08535   109.31194  -159.99185
   79    77 S   HC   _H50    77     1.08521   109.29617    79.06527
   80    74 S   OH   _O25    80     1.42836   106.94917   179.02401
   81    80 S   HO   _H52    81     0.96984   106.37044    60.04246
   82    75 S   CT   _C18    71     1.54275   111.66697  -161.92987
   83    82 S   HC   _H43    72     1.08314   109.03551   -61.61886
   84    82 S   HC   _H44    73     1.08395   108.99254   178.44355
   85    82 S   HC   _H45    74     1.08297   109.03199    58.49642
   86    77 S   OH   _O26    78     1.41233   108.03312   -40.44470
   87    86 S   HO   _H53    79     0.97342   107.32188  -180.00000
  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  10   5   4   3
  14   8   2   1   1  16   8   5   2   1   1  10   3  13   5   4
  10  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3
   7   8   4   3   2   1   6  11   4  13  11   6   7   4   3   3
   1   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    75    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    74    75    76    46    47    48    82    40    41    42    43  
   44    45    49    75    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    75    46    47    48    69  
   49    50    46  
   47    48    82    83    84    85    77    80    49    72    74    75    76  
   48    82    74    75    76  
   82    74    75    76  
   50    51    52    53    54    55    58    65    69    70  
   51    52    53    54    55    56    57    58    59    60    63    65    66    69    70  
   52    53    54    55    58    65    69    70  
   53    54    55    56    57    58    59    60    65    69    70  
   54    55    56    57    58    69  
   55    56    57    58    69  
   56    57    58    59    60    61    62    63    65    69    70  
   57    58    59    60    69  
   58    59    60    69  
   59    60    61    62    63    64    65    66    69    70  
   60    61    62    63    65    69    70  
   61    62    63    64    65    66    69    70  
   62    63    64    65    69  
   63    64    65    69  
   64    65    66    67    68    71    69    70  
   65    66    69  
   66    67    68    71    72    69    70  
   67    68    71    72    73    74    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75    77    80  
   73    74    75    76    82    77    78    79    86    80    81  
   74    75    77    80  
   75    76    82    83    84    85    77    78    79    86    87    80    81  
   76    82    83    84    85    77    78    79    86    80    81  
   82    83    84    85    77    80  
   78    79    86    87    80    81    82  
   79    86    87    80  
   86    87    80  
   81    82    86  
    0  
   83    84    85  
   84    85  
   85  
    0  
   87  
    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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.003900   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1200   0.397800   2.2900   2.0360   0.003973653   1.685851020
   59   2.9600   0.1700  -0.769500   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.003900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.160500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   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    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    69   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   255.000  1.497
   58    59   410.000  1.347
   58    60   255.000  1.497
   58    69   255.000  1.497
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    80   320.000  1.410
   75    76   340.000  1.090
   75    46   268.000  1.529
   75    82   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    86   320.000  1.410
   86    87   553.000  0.945
   80    81   553.000  0.945
   69    70   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    75    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    69    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    69    58    80.00000  107.80000
   50    69    65    70.00000  112.02700
   50    69    70    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  107.80000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59   100.00000  112.40400
   55    58    60    80.00000  109.71000
   55    58    69    80.00000  109.71000
   57    55    56    33.00000  107.80000
   58    55    56    50.00000  105.66800
   58    55    57    50.00000  105.66800
   58    60    61    50.00000  105.66800
   58    60    62    50.00000  105.66800
   58    60    63    75.00000  110.06800
   58    69    65    75.00000  110.06800
   58    69    70    50.00000  105.66800
   60    58    59   100.00000  112.40400
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    69    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    71    85.00000  110.90400
   65    69    70    35.00000  109.50000
   66    71    72    83.00000  116.90000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    63.00000  111.10000
   72    74    77    63.00000  111.10000
   72    74    80    90.00000  109.61100
   74    72    73    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    46    58.35000  112.70000
   74    75    82    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    86    50.00000  109.50000
   74    80    81    55.00000  108.50000
   75    46    47    37.50000  110.70000
   75    46    48    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    75    76    37.50000  110.70000
   48    46    47    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    46    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    74    75    58.35000  112.70000
   77    86    87    55.00000  108.50000
   79    77    78    33.00000  107.80000
   86    77    78    35.00000  109.50000
   86    77    79    35.00000  109.50000
   80    74    75    50.00000  109.50000
   80    74    77    50.00000  109.50000
   69    50    51    37.50000  110.70000
   69    50    52    58.35000  112.70000
   69    58    59   100.00000  112.40400
   69    58    60    80.00000  109.71000
   69    65    66    65.00000  117.92700
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    75   0.56750  1.0 1.0
   33    38    46    75  -0.07550 -1.0 2.0
   33    38    46    75   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    75   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    75  -0.95700  1.0 1.0
   44    38    46    75  -0.18200 -1.0 2.0
   44    38    46    75   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    69  -0.25900  1.0 1.0
   44    49    50    69  -0.47000 -1.0 2.0
   44    49    50    69   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    69    58   1.69300  1.0 1.0
   49    50    69    58  -0.48450 -1.0 2.0
   49    50    69    65   0.61850  1.0 1.0
   49    50    69    65  -0.22750 -1.0 2.0
   49    50    69    65   0.15300  1.0 3.0
   49    50    69    70   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    69    58   0.19200  1.0 3.0
   51    50    69    65   0.15000  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   52    50   -69    58   1.36600  1.0 1.0
   52    50   -69    58  -0.11450 -1.0 2.0
   52    50   -69    58   0.24250  1.0 3.0
   52    50    69    65   0.34400  1.0 1.0
   52    50    69    65   0.09450 -1.0 2.0
   52    50    69    65   0.11100  1.0 3.0
   52    50    69    70   0.15000  1.0 3.0
   52    55    58    59   0.14050  1.0 1.0
   52    55    58    59  -0.22350 -1.0 2.0
   52    55    58    59   0.07400  1.0 3.0
   52    55    58    60  -0.14200  1.0 1.0
   52    55    58    60   0.13450 -1.0 2.0
   52    55    58    60   0.34600  1.0 3.0
   52    55   -58    69  -0.14200  1.0 1.0
   52    55   -58    69   0.13450 -1.0 2.0
   52    55   -58    69   0.34600  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   0.19200  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   0.19200  1.0 3.0
   55    58    60    61   0.35400  1.0 3.0
   55    58    60    62   0.35400  1.0 3.0
   55    58    60    63   0.08000 -1.0 2.0
   55    58   -69    50  -0.14200  1.0 1.0
   55    58   -69    50   0.13450 -1.0 2.0
   55    58   -69    50   0.34600  1.0 3.0
   55    58    69    65   0.08000 -1.0 2.0
   55    58    69    70   0.35400  1.0 3.0
   56    55    58    59  -0.15150  1.0 3.0
   56    55    58    60   0.35400  1.0 3.0
   56    55    58    69   0.35400  1.0 3.0
   57    55    58    59  -0.15150  1.0 3.0
   57    55    58    60   0.35400  1.0 3.0
   57    55    58    69   0.35400  1.0 3.0
   58    60    63    64   0.00000  1.0 1.0
   58    60   -63    65   0.80850  1.0 1.0
   58    60   -63    65  -0.47300 -1.0 2.0
   58    60   -63    65  -0.52300  1.0 3.0
   59    58    60    61  -0.15150  1.0 3.0
   59    58    60    62  -0.15150  1.0 3.0
   59    58    60    63   0.13850  1.0 1.0
   59    58    60    63  -0.22050 -1.0 2.0
   59    58    60    63   0.10200  1.0 3.0
   59    58    69    50   0.14050  1.0 1.0
   59    58    69    50  -0.22350 -1.0 2.0
   59    58    69    50   0.07400  1.0 3.0
   59    58    69    65   0.13850  1.0 1.0
   59    58    69    65  -0.22050 -1.0 2.0
   59    58    69    65   0.10200  1.0 3.0
   59    58    69    70  -0.15150  1.0 3.0
   60    58    69    50  -0.14200  1.0 1.0
   60    58    69    50   0.13450 -1.0 2.0
   60    58    69    50   0.34600  1.0 3.0
   60    58   -69    65   0.08000 -1.0 2.0
   60    58    69    70   0.35400  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63   -65    69   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    71   0.39000  1.0 1.0
   63    65    66    71  -0.05800 -1.0 2.0
   63    65    66    71  -0.55150  1.0 3.0
   63    65    69    50   0.09850  1.0 1.0
   63    65    69    50   0.15250 -1.0 2.0
   63    65    69    50  -0.50650  1.0 3.0
   63    65   -69    58   0.80850  1.0 1.0
   63    65   -69    58  -0.47300 -1.0 2.0
   63    65   -69    58  -0.52300  1.0 3.0
   63    65    69    70   0.00000  1.0 1.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    69   7.00000 -1.0 2.0
   65    66    71    72  -0.82050  1.0 1.0
   65    66    71    72   0.00600 -1.0 2.0
   65    66    71    72   0.04400  1.0 3.0
   66    65    69    50   0.46850  1.0 1.0
   66    65    69    50   0.08550 -1.0 2.0
   66    65    69    50   0.09800  1.0 3.0
   66    65    69    58   0.52100  1.0 1.0
   66    65    69    58  -0.20350 -1.0 2.0
   66    65    69    58   0.29750  1.0 3.0
   66    65    69    70   0.34800  1.0 3.0
   66    71    72    73   3.00000 -1.0 2.0
   66    71    72    74   1.63150  1.0 1.0
   66    71    72    74   2.92000 -1.0 2.0
   67    66    71    72   0.08050  1.0 3.0
   68    66    71    72   0.08050  1.0 3.0
   71    72    74    75   0.36750  1.0 3.0
   71    72    74    77   0.36750  1.0 3.0
   71    72    74    80   0.30750  1.0 1.0
   71    72    74    80   1.13850 -1.0 2.0
   71    72    74    80   0.38850  1.0 3.0
   72    74    75    76  -0.11250  1.0 3.0
   72    74    75    46  -0.95700  1.0 1.0
   72    74    75    46  -0.18200 -1.0 2.0
   72    74    75    46   0.29450  1.0 3.0
   72    74    75    82  -0.95700  1.0 1.0
   72    74    75    82  -0.18200 -1.0 2.0
   72    74    75    82   0.29450  1.0 3.0
   72    74    77    78  -0.11250  1.0 3.0
   72    74    77    79  -0.11250  1.0 3.0
   72    74    77    86  -0.09450  1.0 1.0
   72    74    77    86  -1.12950 -1.0 2.0
   72    74    77    86   0.54000  1.0 3.0
   72    74    80    81   0.91850  1.0 1.0
   72    74    80    81   0.57950  1.0 3.0
   73    72    74    75   0.30150 -1.0 2.0
   73    72    74    77   0.30150 -1.0 2.0
   73    72    74    80   0.30150 -1.0 2.0
   74    75    46    38   0.56750  1.0 1.0
   74    75    46    38  -0.07550 -1.0 2.0
   74    75    46    38   0.20000  1.0 3.0
   74    75    46    47   0.15000  1.0 3.0
   74    75    46    48   0.15000  1.0 3.0
   74    75    82    83   0.15000  1.0 3.0
   74    75    82    84   0.15000  1.0 3.0
   74    75    82    85   0.15000  1.0 3.0
   74    77    86    87  -0.11600  1.0 1.0
   74    77    86    87  -0.09450 -1.0 2.0
   74    77    86    87   0.21250  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    86   0.86500  1.0 1.0
   75    74    77    86  -0.17500 -1.0 2.0
   75    74    77    86   0.20800  1.0 3.0
   75    74    80    81  -0.11600  1.0 1.0
   75    74    80    81  -0.09450 -1.0 2.0
   75    74    80    81   0.21250  1.0 3.0
   76    75    46    38   0.15000  1.0 3.0
   76    75    46    47   0.15000  1.0 3.0
   76    75    46    48   0.15000  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    85   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    75    82    83   0.15000  1.0 3.0
   46    75    82    84   0.15000  1.0 3.0
   46    75    82    85   0.15000  1.0 3.0
   82    75    46    38   0.56750  1.0 1.0
   82    75    46    38  -0.07550 -1.0 2.0
   82    75    46    38   0.20000  1.0 3.0
   82    75    46    47   0.15000  1.0 3.0
   82    75    46    48   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    46   0.56750  1.0 1.0
   77    74    75    46  -0.07550 -1.0 2.0
   77    74    75    46   0.20000  1.0 3.0
   77    74    75    82   0.56750  1.0 1.0
   77    74    75    82  -0.07550 -1.0 2.0
   77    74    75    82   0.20000  1.0 3.0
   77    74    80    81  -0.11600  1.0 1.0
   77    74    80    81  -0.09450 -1.0 2.0
   77    74    80    81   0.21250  1.0 3.0
   78    77    86    87   0.19450  1.0 3.0
   79    77    86    87   0.19450  1.0 3.0
   80    74    75    76   0.23400  1.0 3.0
   80    74    75    46   0.86500  1.0 1.0
   80    74    75    46  -0.17500 -1.0 2.0
   80    74    75    46   0.20800  1.0 3.0
   80    74    75    82   0.86500  1.0 1.0
   80    74    75    82  -0.17500 -1.0 2.0
   80    74    75    82   0.20800  1.0 3.0
   80    74    77    78   0.23400  1.0 3.0
   80    74    77    79   0.23400  1.0 3.0
   80    74    77    86   3.75450  1.0 1.0
   69    50    52    53   0.15000  1.0 3.0
   69    50    52    54   0.15000  1.0 3.0
   69    50   -52    55   0.56750  1.0 1.0
   69    50   -52    55  -0.07550 -1.0 2.0
   69    50   -52    55   0.20000  1.0 3.0
   69    58    60    61   0.35400  1.0 3.0
   69    58    60    62   0.35400  1.0 3.0
   69    58   -60    63   0.08000 -1.0 2.0
   69    65    66    67   0.34800  1.0 3.0
   69    65    66    68   0.34800  1.0 3.0
   69    65    66    71   0.09700  1.0 1.0
   69    65    66    71   0.15600 -1.0 2.0
   69    65    66    71  -0.50800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   60    64    63    65   1.10000 -1.0 2.0
   66    69    65    63   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
END
