* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    167    262     487
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02123    98.63317   -52.60980
    3     1 S   H    _H1_     3     1.02061    80.10466    54.99589
    4     1 S   H    _H2_     4     1.02139    36.06468  -162.62325
    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   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   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   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CM   _C13    36     1.74642    99.16256   161.84786
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C11    37     1.34908   121.87018  -120.02583
   38    37 S   CM   _C12    38     1.45696   121.11040   179.97202
   39    38 S   Br   BR37    39     1.87453   119.30153   167.15569
   40    37 S   OS   _O35    88     1.38339   121.62135    -0.27554
   41    38 S   CM   _C10    40     1.34473   120.37139   -14.81001
   42    41 S   HC   _H40    41     1.08910   119.86780  -176.80377
   43    40 S   CT   _C22    89     1.40607   112.57534    90.21327
   44    43 S   HC   _H47    90     1.09283   109.48584   179.98022
   45    43 S   HC   _H48    91     1.09346   109.52098    59.21406
   46    43 S   HC   _H49    92     1.09303   109.03941   -60.39863
   47    41 S   CT   _C21    42     1.51019   122.48646     1.56348
   48    47 S   CT   _C17    43     1.52828   111.70135   153.01539
   49    48 S   HC   _H41    44     1.09098   114.42261    20.70596
   50    48 S   HC   _H42    45     1.09265   113.59994  -107.27419
   51    33 S   CT   _C19    84     1.51735   117.13188    59.84690
   52    51 S   HC   _H45    85     1.09902   109.37451   -34.13762
   53    48 S   CD   _C14    46     1.47484    97.65672   139.96983
   54    51 S   OH   _O30    86     1.42781   106.52027    82.60568
   55    54 S   HO   _H57    87     0.96863   106.35103    60.00581
   56    53 S   NI   _N23    47     1.28842   116.87846   -17.65281
   57    53 S   C    _C16    49     1.47635   121.08246   164.65149
   58    57 S   O    _O27    50     1.22463   120.56109    89.87931
   59    47 S   OS   _O29    48     1.45214   106.69309   -94.51064
   60    57 S   N    _N25    51     1.37987   112.49822   -90.03478
   61    60 S   H    _H56    52     1.01581   118.68661    -0.08393
   62    60 S   CT   _C24    53     1.44554   122.65956   179.87805
   63    62 S   HC   _H52    54     1.09538   108.53290  -148.64780
   64    62 S   HC   _H53    55     1.09519   108.41959   -31.59735
   65    62 S   CT   _C25    56     1.53059   109.80584    90.02041
   66    65 S   HC   _H54    57     1.09713   110.26387   -62.35146
   67    65 S   CA   _C6_    58     1.51169   111.72709    59.87232
   68    65 S   OH   _O33    82     1.42694   109.84225  -179.76261
   69    68 S   HO   _H58    83     0.96918   106.43222   -62.38642
   70    67 S   CA   _C4_    59     1.39586   119.99554  -122.62904
   71    70 S   HA   _H38    60     1.08763   119.41902     0.08393
   72    70 S   CA   _C8_    61     1.39490   119.99912  -180.00000
   73    72 S   Br   BR35    62     1.89576   118.65729  -179.94405
   74    72 S   CA   _C7_    63     1.39453   119.98142    -0.00000
   75    74 S   CA   _C9_    64     1.39507   120.03430     0.07133
   76    75 S   Br   BR36    65     1.89626   121.34022   179.95154
   77    74 S   OS   _O34    68     1.36539   119.98085   179.92087
   78    67 S   CA   _C5_    66     1.39445   120.02039    57.42752
   79    78 S   HA   _H39    67     1.08715   119.43363    -0.11535
   80    77 S   CT   _C23    69     1.42460   116.94655   -89.85553
   81    80 S   HC   _H50    70     1.09440   108.80732   -60.01831
   82    80 S   HC   _H51    71     1.09427   108.80654    58.71755
   83    80 S   CT   _C20    72     1.52221   109.01849   179.36265
   84    83 S   HC   _H46    73     1.09465   109.70369  -165.38273
   85    83 S   CT   _C18    74     1.51452   113.12914   -40.49990
   86    85 S   HC   _H43    75     1.09413   111.46411  -146.73711
   87    85 S   HC   _H44    76     1.09300   114.63039   -21.78553
   88    85 S   N    _N24    77     1.42619   102.58574    98.56542
   89    88 S   H    _H55    78     1.01435   124.54981  -164.61368
   90    88 S   CO4  _C15    79     1.37774   110.92422    15.34416
   91    90 S   O    _O26    80     1.22223   126.84141   174.54544
   92    83 S   OS   _O28    81     1.44177   108.75583    75.30361
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  13   2   1   1  13   9   4   6  11   4   3   2   1   1  11  11
   6   5   6   3   7   2   1   4   8   3   1   8   4   9   5   4
  10   5  11   3   1   8   4   7   3   9   5   3   8   1   1  10
   5   4   9   6   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    51    52    54    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    47    48    59    51    52    54    55    40    43  
   35    36  
   36  
    0  
   38    39    41    42    47    51    52    54    40    43    44    45    46  
   39    41    42    47    48    59    51    40    43  
   41    42    47    40  
   43    44    45    46    41    51  
   42    47    48    49    50    53    56    59    51    52    54  
   47    48    59    51  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    53    56    59    57    51    52    54    55  
   49    50    53    56    59    57    58    60    51    52    54  
   50    53    56    59    57    51  
   53    56    59    57    51  
   52    54    55    53    56    59  
   54    55    59  
   56    59    57    58    60    61    62  
   55    59  
    0  
   59    57    58    60  
   58    60    61    62    63    64    65    59  
   60    61    62  
    0  
   61    62    63    64    65    66    67    68  
   62    63    64    65  
   63    64    65    66    67    70    78    68    69  
   64    65    66    67    68  
   65    66    67    68  
   66    67    70    71    72    75    78    79    68    69  
   67    70    78    68    69  
   70    71    72    73    74    75    76    78    79    68    69  
   69    70    78  
    0  
   71    72    73    74    75    78    79    77  
   72    73    74    78  
   73    74    75    76    78    77    80  
   74    75    77  
   75    76    78    79    77    80    81    82    83  
   76    78    79    77    80  
   78    79    77  
   80    81    82    83    84    85    92    78  
   79  
    0  
   81    82    83    84    85    86    87    88    90    92  
   82    83    84    85    92  
   83    84    85    92  
   84    85    86    87    88    89    90    91    92  
   85    86    87    88    90    92  
   86    87    88    89    90    91    92  
   87    88    89    90    92  
   88    89    90    92  
   89    90    91    92  
   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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.2500   0.1700  -0.438900   1.8100   1.6000   0.054801302  -1.445846770
   89   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   90   3.7500   0.1050   0.515900   1.9250   1.7000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.497000   1.5250   1.4250   0.001000000  -1.480495490
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    51   317.000  1.510
   37    38   380.000  1.444
   37    40   440.000  1.360
   38    39   165.000  1.979
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   268.000  1.529
   47    59   320.000  1.410
   47    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   270.000  1.508
   53    56   500.000  1.261
   53    57   270.000  1.486
   56    59   320.000  1.394
   57    58   570.000  1.229
   57    60   490.000  1.335
   60    61   434.000  1.010
   60    62   337.000  1.449
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    68   320.000  1.410
   67    70   469.000  1.400
   67    78   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   300.000  1.903
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   300.000  1.903
   75    78   469.000  1.400
   78    79   367.000  1.080
   77    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    92   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   337.000  1.449
   88    89   434.000  1.010
   88    90   435.000  1.380
   90    91   570.000  1.229
   90    92   214.000  1.327
   68    69   553.000  0.945
   51    52   340.000  1.090
   51    54   320.000  1.410
   54    55   553.000  0.945
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    65.00000  117.37300
   33    37    38    70.00000  123.01800
   33    37    40    80.00000  120.01400
   33    51    47    70.00000  112.02700
   33    51    52    35.00000  109.50000
   33    51    54    90.00000  110.39200
   37    38    39    65.00000  115.01300
   37    38    41    70.00000  123.01800
   37    40    43    90.00000  111.18400
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    65.00000  115.01300
   41    47    48    70.00000  112.02700
   41    47    59    85.00000  110.90400
   41    47    51    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    53    70.00000  111.76100
   47    59    56   110.00000  106.71400
   47    51    52    37.50000  110.70000
   47    51    54    50.00000  109.50000
   48    53    56    65.00000  122.10100
   48    53    57    60.00000  116.68000
   50    48    49    33.00000  107.80000
   53    48    49    45.00000  109.49600
   53    48    50    45.00000  109.49600
   53    56    59   100.00000  109.52600
   53    57    58    80.00000  120.45000
   53    57    60    75.00000  109.57000
   59    47    48    50.00000  109.50000
   57    53    56    65.00000  123.79500
   57    60    61    35.00000  119.80000
   57    60    62    50.00000  121.90000
   60    57    58    80.00000  122.90000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    70.00000  110.72300
   62    60    61    38.00000  118.40000
   62    65    66    37.50000  110.70000
   62    65    67    70.00000  112.17500
   62    65    68    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    70    70.00000  120.00000
   65    67    78    70.00000  120.00000
   65    68    69    55.00000  108.50000
   67    65    66    35.00000  109.50000
   67    70    71    35.00000  120.00000
   67    70    72    63.00000  120.00000
   67    78    75    63.00000  120.00000
   67    78    79    35.00000  120.00000
   70    72    73    75.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    75.00000  120.00000
   74    75    76    75.00000  120.00000
   74    75    78    63.00000  120.00000
   74    77    80    75.00000  111.00000
   75    78    79    35.00000  120.00000
   78    67    70    63.00000  120.00000
   78    75    76    75.00000  120.00000
   77    74    75    70.00000  120.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    50.00000  109.50000
   80    83    84    37.50000  110.70000
   80    83    85    58.35000  112.70000
   80    83    92    50.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    37.50000  110.70000
   83    85    88    70.00000  110.72300
   83    92    90    83.00000  116.90000
   85    83    84    37.50000  110.70000
   85    88    89    38.00000  118.40000
   85    88    90    70.00000  120.44000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   88    90    91    85.00000  125.96000
   88    90    92   110.00000  108.75700
   90    88    89    50.00000  116.34900
   92    83    84    35.00000  109.50000
   92    83    85    50.00000  109.50000
   92    90    91    83.00000  123.40000
   68    65    66    35.00000  109.50000
   68    65    67    90.00000  112.51600
   51    33    37    70.00000  124.00000
   51    47    48    58.35000  112.70000
   51    47    59    50.00000  109.50000
   51    54    55    55.00000  108.50000
   54    51    52    35.00000  109.50000
   40    37    38    80.00000  120.01400
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    40   7.00000 -1.0 2.0
   29    33    51    47   0.09700  1.0 1.0
   29    33    51    47   0.15600 -1.0 2.0
   29    33    51    47  -0.50800  1.0 3.0
   29    33    51    52   0.00000  1.0 1.0
   29    33    51    54   0.09700  1.0 1.0
   29    33    51    54   0.15600 -1.0 2.0
   29    33    51    54  -0.50800  1.0 3.0
   33    37    38    39  -0.18600  1.0 3.0
   33    37    38    41   0.28850  1.0 1.0
   33    37    38    41   2.61350 -1.0 2.0
   33    37    38    41   0.78400  1.0 3.0
   33    37    40    43  -2.26850  1.0 1.0
   33    37    40    43   3.39050 -1.0 2.0
   33    51    54    55  -0.07800  1.0 1.0
   33    51    54    55  -0.21500 -1.0 2.0
   33    51    54    55  -0.03150  1.0 3.0
   37    33    51    47   0.09850  1.0 1.0
   37    33    51    47   0.15250 -1.0 2.0
   37    33    51    47  -0.50650  1.0 3.0
   37    33    51    52   0.00000  1.0 1.0
   37    33    51    54   0.67800  1.0 1.0
   37    33    51    54   0.47050 -1.0 2.0
   37    33    51    54  -0.62500  1.0 3.0
   37    38    41    42   7.00000 -1.0 2.0
   37    38   -41    47   7.00000 -1.0 2.0
   37    40    43    44   0.08050  1.0 3.0
   37    40    43    45   0.08050  1.0 3.0
   37    40    43    46   0.08050  1.0 3.0
   38    37    40    43  -2.26850  1.0 1.0
   38    37    40    43   3.39050 -1.0 2.0
   38    41    47    48   0.09850  1.0 1.0
   38    41    47    48   0.15250 -1.0 2.0
   38    41    47    48  -0.50650  1.0 3.0
   38    41    47    59   0.39000  1.0 1.0
   38    41    47    59  -0.05800 -1.0 2.0
   38    41    47    59  -0.55150  1.0 3.0
   38    41    47    51   0.09850  1.0 1.0
   38    41    47    51   0.15250 -1.0 2.0
   38    41    47    51  -0.50650  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    48    49   0.15000  1.0 3.0
   41    47    48    50   0.15000  1.0 3.0
   41    47    48    53   0.31000  1.0 1.0
   41    47    48    53   0.14700 -1.0 2.0
   41    47    48    53   0.07550  1.0 3.0
   41    47    59    56   0.37500  1.0 3.0
   41    47   -51    33   0.31000  1.0 1.0
   41    47   -51    33   0.14700 -1.0 2.0
   41    47   -51    33   0.07550  1.0 3.0
   41    47    51    52   0.15000  1.0 3.0
   41    47    51    54   1.05650  1.0 1.0
   41    47    51    54   0.15600 -1.0 2.0
   41    47    51    54   0.53150  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    59   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   47    48   -53    56   0.00000  1.0 1.0
   47    48    53    57   0.00000  1.0 1.0
   47    51    54    55  -0.11600  1.0 1.0
   47    51    54    55  -0.09450 -1.0 2.0
   47    51    54    55   0.21250  1.0 3.0
   48    47   -59    56   0.37500  1.0 3.0
   48    47    51    33   0.34400  1.0 1.0
   48    47    51    33   0.09450 -1.0 2.0
   48    47    51    33   0.11100  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    54   0.86500  1.0 1.0
   48    47    51    54  -0.17500 -1.0 2.0
   48    47    51    54   0.20800  1.0 3.0
   48    53   -56    59   6.00000 -1.0 2.0
   48    53    57    58   1.00000 -1.0 2.0
   48    53    57    60   1.50000 -1.0 2.0
   49    48    53    56   0.00000  1.0 1.0
   49    48    53    57   0.00000  1.0 1.0
   50    48    53    56   0.00000  1.0 1.0
   50    48    53    57   0.00000  1.0 1.0
   53    56   -59    47   1.50000 -1.0 2.0
   53    57    60    61   2.56700 -1.0 2.0
   53    57    60    62   1.49850  1.0 1.0
   53    57    60    62   1.53950 -1.0 2.0
   56    53    57    58   1.00000 -1.0 2.0
   56    53    57    60   1.50000 -1.0 2.0
   59    47    48    49   0.23400  1.0 3.0
   59    47    48    50   0.23400  1.0 3.0
   59    47   -48    53   0.61850  1.0 1.0
   59    47   -48    53  -0.22750 -1.0 2.0
   59    47   -48    53   0.15300  1.0 3.0
   59    47    51    33   0.61850  1.0 1.0
   59    47    51    33  -0.22750 -1.0 2.0
   59    47    51    33   0.15300  1.0 3.0
   59    47    51    52   0.23400  1.0 3.0
   59    47    51    54   3.69350  1.0 1.0
   59    47    51    54  -1.82950 -1.0 2.0
   57    53    56    59   6.00000 -1.0 2.0
   57    60    62    63   0.00000  1.0 1.0
   57    60    62    64   0.00000  1.0 1.0
   57    60    62    65  -0.43950  1.0 1.0
   57    60    62    65  -0.08100 -1.0 2.0
   57    60    62    65   0.03350  1.0 3.0
   58    57    60    61   2.45000 -1.0 2.0
   58    57    60    62   3.04450 -1.0 2.0
   60    62    65    66   0.15000  1.0 3.0
   60    62    65    67   0.08550  1.0 1.0
   60    62    65    67   1.07500 -1.0 2.0
   60    62    65    67  -0.10950  1.0 3.0
   60    62    65    68   2.76900  1.0 1.0
   60    62    65    68  -0.24350 -1.0 2.0
   60    62    65    68  -0.78250  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.00000  1.0 1.0
   62    65    67    70   0.04150 -1.0 2.0
   62    65    67    78   0.04150 -1.0 2.0
   62    65    68    69  -0.11600  1.0 1.0
   62    65    68    69  -0.09450 -1.0 2.0
   62    65    68    69   0.21250  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.43200  1.0 3.0
   63    62    65    68   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.43200  1.0 3.0
   64    62    65    68   0.23400  1.0 3.0
   65    67    70    71   3.62500 -1.0 2.0
   65    67    70    72   3.62500 -1.0 2.0
   65    67    78    75   3.62500 -1.0 2.0
   65    67    78    79   3.62500 -1.0 2.0
   66    65    67    70   0.00000  1.0 1.0
   66    65    67    78   0.00000  1.0 1.0
   66    65    68    69   0.19450  1.0 3.0
   67    65    68    69   0.31900  1.0 1.0
   67    65    68    69  -0.11800 -1.0 2.0
   67    65    68    69   0.38750  1.0 3.0
   67    70    72    73   3.62500 -1.0 2.0
   67    70    72    74   3.62500 -1.0 2.0
   70    67    78    75   3.62500 -1.0 2.0
   70    67    78    79   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    77   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74    75    78   3.62500 -1.0 2.0
   72    74    77    80   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75   -78    67   3.62500 -1.0 2.0
   74    75    78    79   3.62500 -1.0 2.0
   74    77    80    81   0.08050  1.0 3.0
   74    77    80    82   0.08050  1.0 3.0
   74    77    80    83  -0.32850  1.0 1.0
   74    77    80    83  -0.35800 -1.0 2.0
   74    77    80    83   0.33950  1.0 3.0
   75    74    77    80   1.63200 -1.0 2.0
   76    75    78    67   3.62500 -1.0 2.0
   76    75    78    79   3.62500 -1.0 2.0
   78    67    70    71   3.62500 -1.0 2.0
   78    67   -70    72   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    78   3.62500 -1.0 2.0
   77    80    83    84   0.23400  1.0 3.0
   77    80    83    85   0.62750  1.0 1.0
   77    80    83    85  -0.30950 -1.0 2.0
   77    80    83    85   0.27300  1.0 3.0
   77    80    83    92   1.11900  1.0 1.0
   77    80    83    92  -1.16350 -1.0 2.0
   77    80    83    92  -0.34150  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   0.43900  1.0 1.0
   80    83    85    88   0.49100 -1.0 2.0
   80    83    85    88   0.28400  1.0 3.0
   80    83    92    90  -0.25900  1.0 1.0
   80    83    92    90  -0.47000 -1.0 2.0
   80    83    92    90   0.11750  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    92   0.23400  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    92   0.23400  1.0 3.0
   83    85    88    89   0.00000  1.0 1.0
   83    85   -88    90  -0.43950  1.0 1.0
   83    85   -88    90  -0.08100 -1.0 2.0
   83    85   -88    90   0.03350  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    88   0.15000  1.0 3.0
   84    83    92    90   0.08050  1.0 3.0
   85    83   -92    90  -0.25900  1.0 1.0
   85    83   -92    90  -0.47000 -1.0 2.0
   85    83   -92    90   0.11750  1.0 3.0
   85    88    90    91   3.04450 -1.0 2.0
   85    88   -90    92   2.45000 -1.0 2.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   88    90   -92    83  -0.80800  1.0 1.0
   88    90   -92    83   2.06850 -1.0 2.0
   89    88    90    91   2.45000 -1.0 2.0
   89    88    90    92   2.56700 -1.0 2.0
   91    90    92    83   3.00000 -1.0 2.0
   92    83    85    86   0.23400  1.0 3.0
   92    83    85    87   0.23400  1.0 3.0
   92    83   -85    88   1.12100  1.0 1.0
   92    83   -85    88  -0.16500 -1.0 2.0
   68    65    67    70   0.14300 -1.0 2.0
   68    65    67    70   0.00300  1.0 3.0
   68    65    67    78   0.14300 -1.0 2.0
   68    65    67    78   0.00300  1.0 3.0
   51    33   -37    38   7.00000 -1.0 2.0
   51    33    37    40   7.00000 -1.0 2.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    53   0.34400  1.0 1.0
   51    47    48    53   0.09450 -1.0 2.0
   51    47    48    53   0.11100  1.0 3.0
   51    47    59    56   0.37500  1.0 3.0
   52    51    54    55   0.19450  1.0 3.0
   40    37    38    39   1.08500 -1.0 2.0
   40    37    38    41  -0.51250  1.0 1.0
   40    37    38    41   1.23350 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   29    51    33    37   1.10000 -1.0 2.0
   38    40    37    33   1.10000 -1.0 2.0
   37    39    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   48    57    53    56  10.50000 -1.0 2.0
   53    60    57    58  10.50000 -1.0 2.0
   61    57    60    62   1.00000 -1.0 2.0
   70    78    67    65   4.00000 -1.0 2.0
   72    71    70    67   1.10000 -1.0 2.0
   74    73    72    70   4.00000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   78    76    75    74   4.00000 -1.0 2.0
   75    79    78    67   1.10000 -1.0 2.0
   89    90    88    85   1.00000 -1.0 2.0
   88    92    90    91  10.50000 -1.0 2.0
END
