* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    167    261     488
    1     0 S   NP   _N1_     1    28.95992    95.69920   -24.96227
    2     1 S   H    _HN1     2     1.02786   111.76914   -90.38737
    3     1 S   H    _H1_     3     1.02951    75.65436    13.95865
    4     1 S   H    _H2_     4     1.02830    32.30326  -179.65508
    5     1 S   CT   _CA1     5     1.50107   130.38500   118.74182
    6     5 S   HC   _HA1     6     1.09574   105.21737    89.42015
    7     5 S   CO3  _C1_     7     1.53802   112.42881   -30.84891
    8     7 S   O2Z  _O11     8     1.26374   115.01428   -43.48329
    9     7 S   O2Z  _O12     9     1.26242   114.94204   135.69182
   10     5 S   CT   _CB1    10     1.53089   107.42964  -152.59384
   11    10 S   HC   HB11    11     1.09831   109.41553   -49.81141
   12    10 S   HC   HB12    12     1.09815   110.42861    66.80176
   13    10 S   CT   _CG1    13     1.52989   112.58603  -170.79649
   14    13 S   HC   HG11    14     1.09587   110.59228   -64.44161
   15    13 S   HC   HG12    15     1.09667   109.83364    54.78418
   16    13 S   C    _CD1    16     1.51797   112.27441   175.25191
   17    16 S   O    _OE1    17     1.22729   123.30765     4.64469
   18    16 S   N    _N2_    18     1.38660   111.63794  -175.47589
   19    18 S   H    _HN2    19     1.01588   118.94489     2.00828
   20    18 S   CT1  _CA2    20     1.46196   123.39191   178.25729
   21    20 S   HC   _HA2    21     1.09736   109.34786     1.12952
   22    20 S   C    _C2_    22     1.53520   108.65392  -114.37647
   23    22 S   O    _O2_    23     1.23053   122.27679  -148.28513
   24    20 S   CT   _CB2    32     1.53316   111.55529   123.07614
   25    24 S   HC   HB21    33     1.09582   110.09457    56.60255
   26    24 S   HC   HB22    34     1.09512   110.22083   175.69853
   27    22 S   N    _N3_    24     1.38331   113.68810    39.18363
   28    27 S   H    _HN3    25     1.01595   119.57588    -3.42388
   29    24 S   S    _SG2    35     1.82568   111.60770   -64.35003
   30    27 S   CT   _CA3    26     1.45289   123.18998   177.09593
   31    30 S   HC   HA31    27     1.09550   107.52248   -64.23362
   32    30 S   HC   HA32    28     1.09557   107.96739    52.19849
   33    29 S   CT   _C26    36     1.82886    98.83424   178.57344
   34    33 S   F    F4__    37     1.36535   108.53769   -55.82187
   35    33 S   F    F5__    38     1.36520   108.49540    57.76616
   36    30 S   CO3  _C3_    29     1.52953   114.09386   174.17974
   37    36 S   O2Z  _O31    30     1.26374   116.06166    -0.75199
   38    36 S   O2Z  _O32    31     1.26428   114.41467   179.31045
   39    33 S   CA   _C23    39     1.50892   110.44967  -178.99089
   40    39 S   CA   _C22    40     1.40032   120.61382    89.38347
   41    40 S   HA   _H19    41     1.08782   120.29873     0.29342
   42    40 S   CA   _C21    42     1.39852   120.69974  -179.25849
   43    42 S   HA   _H18    43     1.08724   118.14678   178.96297
   44    42 S   CA   _C20    44     1.40115   120.68955    -0.36154
   45    44 S   CA   _C25    45     1.40162   118.49351     1.14637
   46    45 S   HA   _H21    46     1.08823   120.63771   179.07931
   47    44 S   CM   _C19    49     1.47159   122.79617   178.34898
   48    47 S   HC   _H17    50     1.08828   115.59919  -152.08826
   49    39 S   CA   _C24    47     1.39990   120.67945   -89.44930
   50    49 S   HA   _H20    48     1.08768   120.35737    -0.51396
   51    47 S   CM   _C18    51     1.34083   124.52537    29.32056
   52    51 S   HC   _H16    52     1.08420   123.49912     2.62510
   53    51 S   CHZ  _C8_    53     1.49219   119.01050   178.36099
   54    53 S   CM   _C9_    54     1.49721   111.03026  -119.80056
   55    54 S   HC   _H10    55     1.08563   117.31498     0.68870
   56    53 S   NI   _N6_    72     1.29775   127.47812    61.40917
   57    54 S   CM   _C10    56     1.34161   121.08172   179.75371
   58    57 S   HC   _H11    57     1.08719   120.64814    -0.74913
   59    56 S   NG   _N5_    73     1.35041   117.22888     3.21492
   60    59 S   H    _H9_    74     1.01633   122.92846     5.50118
   61    57 S   CA   _C11    58     1.47279   124.25521  -179.38962
   62    59 S   CG   _C7_    75     1.39237   117.42944  -176.51609
   63    61 S   CA   _C12    59     1.40126   122.80785   -32.16178
   64    63 S   HA   _H12    60     1.08733   121.08840     0.66205
   65    62 S   NG   _N4_    76     1.38842   119.08792  -179.45788
   66    65 S   H    _H8_    77     1.01645   118.73885    -0.88204
   67    63 S   CA   _C13    61     1.39873   120.68191  -178.60675
   68    67 S   HA   _H13    62     1.08773   119.03743   179.84174
   69    65 S   CT   _C6_    78     1.46884   121.43612   178.66133
   70    69 S   HC   _H6_    79     1.09584   107.51866  -147.59963
   71    69 S   HC   _H7_    80     1.09599   106.76173    97.30121
   72    67 S   CA   _C14    63     1.39868   120.62813     0.13706
   73    69 S   CT   _C5_    81     1.53611   112.72503   -25.17550
   74    72 S   CA   _C15    64     1.39837   118.84991     1.14021
   75    74 S   HA   _H14    65     1.08761   120.38923   178.77955
   76    72 S   CT   _C17    68     1.50142   120.55275   178.92135
   77    76 S   F    F1__    69     1.36234   113.22813    31.16476
   78    76 S   F    F2__    70     1.36233   113.23483   151.29204
   79    76 S   F    F3__    71     1.36141   112.29394   -88.76889
   80    73 S   CT   _C27    82     1.53586   109.35024    49.53928
   81    80 S   HC   _H23    83     1.09595   111.27920    70.56320
   82    80 S   HC   _H24    84     1.09582   110.84747  -169.86034
   83    73 S   CT   _C4_    87     1.53655   109.51531   169.54274
   84    83 S   HC   _H3_    88     1.09583   111.15264  -179.88809
   85    83 S   HC   _H4_    89     1.09582   111.15463    60.01664
   86    83 S   HC   _H5_    90     1.09582   111.25584   -59.93720
   87    73 S   CT   _C28    91     1.54087   109.94332   -71.26488
   88    87 S   HC   _H25    92     1.09598   111.02520  -179.53648
   89    87 S   HC   _H26    93     1.09490   112.06466    60.25454
   90    87 S   HC   _H27    94     1.09597   111.02447   -59.95849
   91    61 S   CA   _C16    66     1.40168   118.65324   150.66084
   92    91 S   HA   _H15    67     1.08821   120.61488    -1.53646
   93    62 S   NG   _N7_    85     1.38748   120.40582     1.25398
   94    93 S   H    _H22    86     1.01725   117.56010     0.77859
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3   9   6   3   7   3
   1   1   7   3   9   8   4   6   8   3   8   3   9  11   8   4
  10   5   9   3  15   5   4   8  13   7   3   4   2   1   1  12
   5   4   8   3   2   1   4   2   1   1   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    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    49    50  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50  
   41    42    43    44    45    49    50    47  
   42    43    44    49  
   43    44    45    46    49    47    48    51  
   44    45    47  
   45    46    49    50    47    48    51    52    53  
   46    49    50    47    48    51  
   49    50    47  
   48    51    52    53    54    56    49  
   51    52    53  
   50  
    0  
   52    53    54    55    57    56    59  
   53    54    56  
   54    55    57    58    61    56    59    60    62  
   55    57    58    61    63    91    56    59  
   57    58    61    56  
   59    60    62    65    93    57  
   58    61    63    64    67    74    91    92  
   61    63    91  
   60    62    65    66    69    80    93    94  
   62    65    93  
   63    64    67    68    72    74    75    91    92  
   65    66    69    70    71    73    80    81    82    93    94  
   64    67    68    72    74    91    92    76  
   67    68    72    91  
   66    69    70    71    73    80    93    94    83    87  
   69    70    71    73    93  
   68    72    74    75    91    76    77    78    79  
   72    74    76  
   70    71    73    80    81    82    93    83    84    85    86    87    88    89    90  
   71    73    80    83    87  
   73    80    83    87  
   74    75    91    92    76    77    78    79  
   80    81    82    93    94    83    84    85    86    87    88    89    90  
   75    91    92    76    77    78    79  
   91    92    76  
   77    78    79    91  
   78    79  
   79  
    0  
   81    82    93    94    83    84    85    86    87    88    89    90  
   82    93    94    83    87  
   93    94    83    87  
   84    85    86    87    88    89    90    93  
   85    86    87  
   86    87  
   87  
   88    89    90    93  
   89    90  
   90  
    0  
   92  
    0  
   94  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.636100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.195167   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.2500   0.0500   0.550200   2.1120   1.8750   0.001000000  -0.126889456
   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   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   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   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   78   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   79   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   80   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   94   0.5000   0.0300   0.345100   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    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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    53   360.000  1.437
   53    54   360.000  1.437
   53    56   645.000  1.280
   54    55   340.000  1.080
   54    57   549.000  1.340
   57    58   340.000  1.080
   57    61   320.000  1.460
   61    63   469.000  1.400
   61    91   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    74   469.000  1.400
   72    76   317.000  1.510
   74    75   367.000  1.080
   74    91   469.000  1.400
   91    92   367.000  1.080
   76    77   367.000  1.332
   76    78   367.000  1.332
   76    79   367.000  1.332
   56    59   300.000  1.357
   59    60   434.000  1.010
   59    62   481.000  1.340
   62    65   481.000  1.340
   62    93   481.000  1.340
   65    66   434.000  1.010
   65    69   337.000  1.463
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    80   268.000  1.529
   73    83   268.000  1.529
   73    87   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    93   337.000  1.463
   93    94   434.000  1.010
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    45    63.00000  120.00000
   39    49    50    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    60.00000  120.93500
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    40.00000  117.26300
   44    47    51    60.00000  123.20500
   45    49    50    35.00000  120.00000
   49    39    40    63.00000  120.00000
   49    45    46    35.00000  120.00000
   47    44    45    60.00000  120.93500
   47    51    52    35.00000  120.00000
   47    51    53    70.00000  117.49700
   51    47    48    35.00000  120.00000
   51    53    54    80.00000  112.14000
   51    53    56    65.00000  123.49500
   53    51    52    35.00000  118.70300
   53    54    55    35.00000  118.70300
   53    54    57    70.00000  117.49700
   53    56    59   110.00000  101.64000
   54    57    58    35.00000  120.00000
   54    57    61    60.00000  123.20500
   57    54    55    35.00000  120.00000
   57    61    63    60.00000  120.93500
   57    61    91    60.00000  120.93500
   61    57    58    40.00000  117.26300
   61    63    64    35.00000  120.00000
   61    63    67    63.00000  120.00000
   61    91    74    63.00000  120.00000
   61    91    92    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    72    63.00000  120.00000
   67    63    64    35.00000  120.00000
   67    72    74    63.00000  120.00000
   67    72    76    70.00000  120.00000
   72    67    68    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    91    63.00000  120.00000
   72    76    77    50.00000  109.50000
   72    76    78    50.00000  109.50000
   72    76    79    50.00000  109.50000
   74    91    92    35.00000  120.00000
   91    61    63    63.00000  120.00000
   91    74    75    35.00000  120.00000
   76    72    74    70.00000  120.00000
   78    76    77    77.00000  109.10000
   79    76    77    77.00000  109.10000
   79    76    78    77.00000  109.10000
   56    53    54    65.00000  123.49500
   56    59    60    50.00000  117.11400
   56    59    62    80.00000  118.28000
   59    62    65    70.00000  120.00000
   59    62    93    70.00000  120.00000
   62    59    60    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    69    50.00000  123.20000
   62    93    80    50.00000  123.20000
   62    93    94    35.00000  120.00000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    73    80.00000  111.20000
   69    65    66    35.00000  118.40000
   69    73    80    58.35000  112.70000
   69    73    83    58.35000  112.70000
   69    73    87    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    93    80.00000  111.20000
   73    83    84    37.50000  110.70000
   73    83    85    37.50000  110.70000
   73    83    86    37.50000  110.70000
   73    87    88    37.50000  110.70000
   73    87    89    37.50000  110.70000
   73    87    90    37.50000  110.70000
   80    93    94    35.00000  118.40000
   82    80    81    33.00000  107.80000
   93    62    65    70.00000  120.00000
   93    80    81    35.00000  109.50000
   93    80    82    35.00000  109.50000
   83    73    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    73    80    58.35000  112.70000
   87    73    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    45   3.62500 -1.0 2.0
   33    39    49    50   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    49    45   3.62500 -1.0 2.0
   40    39    49    50   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    47    48   0.56550  1.0 3.0
   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
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -49    39   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    47    51    52   7.00000 -1.0 2.0
   44    47    51    53   7.00000 -1.0 2.0
   45    44    47    48   0.56550  1.0 3.0
   45    44    47    51   0.15800  1.0 1.0
   45    44    47    51   1.85350 -1.0 2.0
   45    44    47    51  -0.48700  1.0 3.0
   46    45    49    39   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    53    54   0.69550 -1.0 2.0
   47    51    53    56   1.09650  1.0 1.0
   47    51    53    56   0.48950 -1.0 2.0
   47    51    53    56   0.49400  1.0 3.0
   48    47    51    52   7.00000 -1.0 2.0
   48    47    51    53   7.00000 -1.0 2.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    57   0.69550 -1.0 2.0
   51    53    56    59   6.00000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    56   1.00600 -1.0 2.0
   53    54    57    58   7.00000 -1.0 2.0
   53    54    57    61   7.00000 -1.0 2.0
   53    56    59    60   2.00000 -1.0 2.0
   53    56    59    62   2.00000 -1.0 2.0
   54    53    56    59   6.00000 -1.0 2.0
   54    57    61    63   0.15800  1.0 1.0
   54    57    61    63   1.85350 -1.0 2.0
   54    57    61    63  -0.48700  1.0 3.0
   54    57    61    91   0.15800  1.0 1.0
   54    57    61    91   1.85350 -1.0 2.0
   54    57    61    91  -0.48700  1.0 3.0
   55    54    57    58   7.00000 -1.0 2.0
   55    54    57    61   7.00000 -1.0 2.0
   57    61    63    64   3.62500 -1.0 2.0
   57    61    63    67   3.62500 -1.0 2.0
   57    61    91    74   3.62500 -1.0 2.0
   57    61    91    92   3.62500 -1.0 2.0
   58    57    61    63   0.56550  1.0 3.0
   58    57    61    91   0.56550  1.0 3.0
   61    63    67    68   3.62500 -1.0 2.0
   61    63    67    72   3.62500 -1.0 2.0
   63    61    91    74   3.62500 -1.0 2.0
   63    61    91    92   3.62500 -1.0 2.0
   63    67   -72    74   3.62500 -1.0 2.0
   63    67    72    76   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    72   3.62500 -1.0 2.0
   67    72    74    75   3.62500 -1.0 2.0
   67    72    74    91   3.62500 -1.0 2.0
   67    72    76    77   0.00000  1.0 1.0
   67    72    76    78   0.00000  1.0 1.0
   67    72    76    79   0.00000  1.0 1.0
   68    67    72    74   3.62500 -1.0 2.0
   68    67    72    76   3.62500 -1.0 2.0
   72    74   -91    61   3.62500 -1.0 2.0
   72    74    91    92   3.62500 -1.0 2.0
   74    72    76    77   0.00000  1.0 1.0
   74    72    76    78   0.00000  1.0 1.0
   74    72    76    79   0.00000  1.0 1.0
   75    74    91    61   3.62500 -1.0 2.0
   75    74    91    92   3.62500 -1.0 2.0
   91    61    63    64   3.62500 -1.0 2.0
   91    61   -63    67   3.62500 -1.0 2.0
   76    72    74    75   3.62500 -1.0 2.0
   76    72    74    91   3.62500 -1.0 2.0
   56    53    54    55   1.00600 -1.0 2.0
   56    53    54    57   1.09650  1.0 1.0
   56    53    54    57   0.48950 -1.0 2.0
   56    53    54    57   0.49400  1.0 3.0
   56    59    62    65   4.00000 -1.0 2.0
   56    59    62    93   4.00000 -1.0 2.0
   59    62    65    66   1.50000 -1.0 2.0
   59    62    65    69   3.96800 -1.0 2.0
   59    62    93    80   3.96800 -1.0 2.0
   59    62    93    94   1.50000 -1.0 2.0
   60    59    62    65   1.50000 -1.0 2.0
   60    59    62    93   1.50000 -1.0 2.0
   62    65    69    70   0.08850  1.0 3.0
   62    65    69    71   0.08850  1.0 3.0
   62    65    69    73   0.25550 -1.0 2.0
   65    62    93    80   3.96800 -1.0 2.0
   65    62    93    94   1.50000 -1.0 2.0
   65    69   -73    80   1.34550  1.0 1.0
   65    69   -73    80  -0.31050 -1.0 2.0
   65    69   -73    80   0.95500  1.0 3.0
   65    69    73    83   1.34550  1.0 1.0
   65    69    73    83  -0.31050 -1.0 2.0
   65    69    73    83   0.95500  1.0 3.0
   65    69    73    87   1.34550  1.0 1.0
   65    69    73    87  -0.31050 -1.0 2.0
   65    69    73    87   0.95500  1.0 3.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    73  -0.09500  1.0 1.0
   66    65    69    73  -0.20850 -1.0 2.0
   66    65    69    73   0.20900  1.0 3.0
   69    73    80    81   0.15000  1.0 3.0
   69    73    80    82   0.15000  1.0 3.0
   69    73    80    93   1.34550  1.0 1.0
   69    73    80    93  -0.31050 -1.0 2.0
   69    73    80    93   0.95500  1.0 3.0
   69    73    83    84   0.15000  1.0 3.0
   69    73    83    85   0.15000  1.0 3.0
   69    73    83    86   0.15000  1.0 3.0
   69    73    87    88   0.15000  1.0 3.0
   69    73    87    89   0.15000  1.0 3.0
   69    73    87    90   0.15000  1.0 3.0
   70    69    73    80   0.15000  1.0 3.0
   70    69    73    83   0.15000  1.0 3.0
   70    69    73    87   0.15000  1.0 3.0
   71    69    73    80   0.15000  1.0 3.0
   71    69    73    83   0.15000  1.0 3.0
   71    69    73    87   0.15000  1.0 3.0
   73    80   -93    62   0.25550 -1.0 2.0
   73    80    93    94  -0.09500  1.0 1.0
   73    80    93    94  -0.20850 -1.0 2.0
   73    80    93    94   0.20900  1.0 3.0
   80    73    83    84   0.15000  1.0 3.0
   80    73    83    85   0.15000  1.0 3.0
   80    73    83    86   0.15000  1.0 3.0
   80    73    87    88   0.15000  1.0 3.0
   80    73    87    89   0.15000  1.0 3.0
   80    73    87    90   0.15000  1.0 3.0
   81    80    93    62   0.08850  1.0 3.0
   81    80    93    94   0.00000  1.0 1.0
   82    80    93    62   0.08850  1.0 3.0
   82    80    93    94   0.00000  1.0 1.0
   93    62    65    66   1.50000 -1.0 2.0
   93    62   -65    69   3.96800 -1.0 2.0
   83    73    80    81   0.15000  1.0 3.0
   83    73    80    82   0.15000  1.0 3.0
   83    73    80    93   1.34550  1.0 1.0
   83    73    80    93  -0.31050 -1.0 2.0
   83    73    80    93   0.95500  1.0 3.0
   83    73    87    88   0.15000  1.0 3.0
   83    73    87    89   0.15000  1.0 3.0
   83    73    87    90   0.15000  1.0 3.0
   87    73    80    81   0.15000  1.0 3.0
   87    73    80    82   0.15000  1.0 3.0
   87    73    80    93   1.34550  1.0 1.0
   87    73    80    93  -0.31050 -1.0 2.0
   87    73    80    93   0.95500  1.0 3.0
   87    73    83    84   0.15000  1.0 3.0
   87    73    83    85   0.15000  1.0 3.0
   87    73    83    86   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
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   45    50    49    39   1.10000 -1.0 2.0
   44    48    47    51  15.00000 -1.0 2.0
   53    52    51    47  15.00000 -1.0 2.0
   51    54    53    56  10.50000 -1.0 2.0
   53    55    54    57  15.00000 -1.0 2.0
   61    58    57    54  15.00000 -1.0 2.0
   63    91    61    57   4.00000 -1.0 2.0
   67    64    63    61   1.10000 -1.0 2.0
   72    68    67    63   1.10000 -1.0 2.0
   74    76    72    67   4.00000 -1.0 2.0
   91    75    74    72   1.10000 -1.0 2.0
   74    92    91    61   1.10000 -1.0 2.0
   56    60    59    62   1.00000 -1.0 2.0
   65    93    62    59  10.50000 -1.0 2.0
   66    62    65    69   1.00000 -1.0 2.0
   94    62    93    80   1.00000 -1.0 2.0
END
