* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    151    235     437
    1     0 S   NP   _N1_     1    29.23508    93.42090   -25.53027
    2     1 S   H    _HN1     2     1.02787   116.62483  -100.16948
    3     1 S   H    _H1_     3     1.02950    89.73098    10.32897
    4     1 S   H    _H2_     4     1.02829    17.45140  -163.48127
    5     1 S   CT   _CA1     5     1.50115   116.84676   123.18939
    6     5 S   HC   _HA1     6     1.09573   105.18768    77.16074
    7     5 S   CO3  _C1_     7     1.53785   112.46653   -43.07897
    8     7 S   O2Z  _O11     8     1.26375   115.00548   -42.45038
    9     7 S   O2Z  _O12     9     1.26238   114.94392   136.65010
   10     5 S   CT   _CB1    10     1.53071   107.41777  -164.84665
   11    10 S   HC   HB11    11     1.09835   109.37505   -49.48475
   12    10 S   HC   HB12    12     1.09814   110.45238    67.12504
   13    10 S   CT   _CG1    13     1.52997   112.61088  -170.44564
   14    13 S   HC   HG11    14     1.09578   110.65626   -65.89852
   15    13 S   HC   HG12    15     1.09669   109.77311    53.35008
   16    13 S   C    _CD1    16     1.51791   112.15450   173.81521
   17    16 S   O    _OE1    17     1.22744   123.23374     8.09779
   18    16 S   N    _N2_    18     1.38657   111.70307  -171.96950
   19    18 S   H    _HN2    19     1.01563   119.02673     1.51077
   20    18 S   CT1  _CA2    20     1.46223   123.35734   177.73756
   21    20 S   HC   _HA2    21     1.09754   109.29166     4.31284
   22    20 S   C    _C2_    22     1.53592   108.55269  -111.12405
   23    22 S   O    _O2_    23     1.23057   122.38508  -147.19385
   24    20 S   CT   _CB2    32     1.53481   111.79286   126.21138
   25    24 S   HC   HB21    33     1.09449   109.86431    58.16116
   26    24 S   HC   HB22    34     1.09419   109.28144   176.76723
   27    22 S   N    _N3_    24     1.38361   113.69166    40.20904
   28    27 S   H    _HN3    25     1.01570   119.58153    -3.11200
   29    24 S   S    _SG2    35     1.83368   110.84312   -62.75037
   30    27 S   CT   _CA3    26     1.45276   123.22055   177.19704
   31    30 S   HC   HA31    27     1.09549   107.49953   -64.96859
   32    30 S   HC   HA32    28     1.09557   108.00161    51.47504
   33    29 S   CT   _C18    36     1.87461   102.22499  -171.61147
   34    33 S   OM   _O35    37     1.31396   108.98965    58.82321
   35    30 S   CO3  _C3_    29     1.52959   114.07939   173.48805
   36    35 S   O2Z  _O31    30     1.26377   116.08424    -0.49297
   37    35 S   O2Z  _O32    31     1.26428   114.40948   179.56344
   38    33 S   CT   _C19    38     1.55510   109.93173   -67.58354
   39    38 S   HC   _H4_    39     1.09637   112.63937    27.72600
   40    38 S   C    _C20    40     1.52068   103.03701   -86.19799
   41    40 S   O    _O33    41     1.22246   125.30707   164.99165
   42    38 S   CO4  _C21    77     1.53049   116.88450   151.19623
   43    42 S   O    _O34    78     1.23127   122.61988    89.81621
   44    40 S   N    _N5_    42     1.38432   108.27187   -16.59939
   45    44 S   H    _H18    43     1.01420   122.75460  -179.53860
   46    42 S   CT   _C22    79     1.50924   116.70038   -92.71406
   47    46 S   HC   _H19    80     1.09172   110.62771    51.13141
   48    46 S   HC   _H20    81     1.09282   109.25892   -69.91762
   49    46 S   HC   _H21    82     1.09363   109.56406   170.60265
   50    33 S   CT   _C17    44     1.56031   106.61439  -179.36449
   51    50 S   HC   _H3_    45     1.09617   111.95656   -26.10730
   52    50 S   CT   _C16    46     1.54738   117.25162  -152.23147
   53    52 S   HC   _H16    47     1.09364   111.79719    53.19396
   54    52 S   HC   _H17    48     1.09667   110.11597   -63.74827
   55    52 S   C5B  _C14    49     1.50439   112.73171   175.14316
   56    55 S   C5A  _C15    50     1.38232   123.40059   100.40092
   57    56 S   HA   _H14    51     1.08163   130.84467    -0.34035
   58    56 S   NA   _N4_    52     1.36103   108.60372   179.63150
   59    58 S   H    _H15    53     1.01051   125.03277  -179.95577
   60    58 S   C56A _C12    54     1.37420   110.26826    -0.17132
   61    60 S   CA   _C11    55     1.39898   128.42570  -179.81025
   62    61 S   HA   _H13    56     1.08519   121.33491     0.03956
   63    61 S   CA   _C10    57     1.38920   117.85569  -179.92598
   64    63 S   HA   _H12    58     1.08657   119.77153   179.92598
   65    63 S   CA   _C9_    59     1.38963   120.40347     0.04423
   66    65 S   HA   _H11    60     1.08927   118.24487   179.71333
   67    65 S   CA   _C8_    61     1.41782   122.29815    -0.12972
   68    55 S   C56B _C13    62     1.44711   129.45825   -80.13851
   69    67 S   CT   _C7_    63     1.51952   116.45569   179.14453
   70    69 S   HC   _H9_    64     1.09807   107.98389    42.72249
   71    69 S   HC   _H10    65     1.08998   110.05428   158.10750
   72    69 S   CM   _C6_    66     1.50560   113.14907   -78.56018
   73    72 S   HC   _H8_    67     1.08895   116.57584    -0.19584
   74    72 S   CM   _C5_    68     1.34719   125.47707   179.94766
   75    74 S   CT   _C4_    69     1.50456   120.93372  -179.79923
   76    75 S   HC   _H5_    70     1.09490   110.16364   117.92070
   77    75 S   HC   _H6_    71     1.09457   110.42708  -122.37907
   78    75 S   HC   _H7_    72     1.09503   112.35531    -2.21435
   79    74 S   CT   _C23    73     1.50283   124.32872     0.47022
   80    79 S   HC   _H22    74     1.09509   110.13263   120.32548
   81    79 S   HC   _H23    75     1.09499   110.08289  -120.24777
   82    79 S   HC   _H24    76     1.09328   113.18854     0.04423
  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
  16   8   2   1   1  14   7   9   4   7   4   7   3   3   2   1
   1   7   4   9   4   3  10   7   4   7   3   8   7   4   6   3
   7   3   7   4   7   4   3  10   3   8   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    50    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    50    51    52    53    54    55    42    43    46  
   38    39    40    44    50    51    52    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    51    52    42    43    46    47    48    49  
   40    41    44    50    42    43    46  
   41    44    45    50    51    52    42    43    46  
   44    45    50    42  
   43    46    47    48    49    44    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    68  
   52    53    54    55  
   53    54    55    56    57    58    60    67    68  
   54    55    56    68  
   55    56    68  
   56    57    58    59    60    61    65    67    68    69  
   57    58    59    60    61    67    68  
   58    59    60    68  
   59    60    61    62    63    67    68  
   60    61    68  
   61    62    63    64    65    67    68    69  
   62    63    64    65    66    67    68  
   63    64    65    68  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72    73    74    75    79  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79    80    81    82  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   59   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   317.000  1.522
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    45   434.000  1.010
   44    50   337.000  1.449
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   295.000  1.494
   55    56   520.000  1.370
   55    68   380.000  1.440
   56    57   367.000  1.080
   56    58   427.000  1.381
   58    59   434.000  1.010
   58    60   428.000  1.380
   60    61   469.000  1.400
   60    68   447.000  1.419
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.404
   67    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    63.00000  111.10000
   33    50    44    70.00000  110.72300
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.60000
   38    42    43    80.00000  120.40000
   38    42    46    70.00000  116.00000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  119.80000
   40    44    50    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    50    51    35.00000  109.50000
   44    50    52    70.00000  110.72300
   50    33    34    50.00000  109.50000
   50    33    38    58.35000  112.70000
   50    44    45    38.00000  118.40000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    70.00000  112.62400
   52    50    51    37.50000  110.70000
   52    55    56    55.00000  127.77900
   52    55    68    55.00000  128.73000
   54    52    53    33.00000  107.80000
   55    52    53    45.00000  111.11700
   55    52    54    45.00000  111.11700
   55    56    57    35.00000  130.70000
   55    56    58    70.00000  106.30000
   55    68    60    80.00000  107.43600
   55    68    67    50.00000  134.85500
   56    58    59    35.00000  120.00000
   56    58    60    90.00000  107.14200
   58    56    57    35.00000  121.60000
   58    60    61    70.00000  132.80000
   58    60    68    70.00000  104.40000
   60    58    59    35.00000  123.10000
   60    61    62    35.00000  120.00000
   60    61    63    85.00000  120.00000
   60    68    67    85.00000  116.20000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    69    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    70.00000  112.99600
   68    55    56    80.00000  105.82900
   68    60    61    85.00000  122.70000
   69    67    68    70.00000  120.00000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    79    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  107.85200
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    44   1.39750  1.0 1.0
   33    38   -40    44  -0.07950 -1.0 2.0
   33    38   -40    44  -0.18750  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.15000  1.0 3.0
   33    50    52    55  -0.03700  1.0 1.0
   33    50    52    55   0.37200 -1.0 2.0
   33    50    52    55  -0.47300  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40  -0.09450  1.0 1.0
   34    33    38    40  -1.12950 -1.0 2.0
   34    33    38    40   0.54000  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    50    44   1.12100  1.0 1.0
   34    33    50    44  -0.16500 -1.0 2.0
   34    33    50    51   0.23400  1.0 3.0
   34    33    50    52   0.62750  1.0 1.0
   34    33    50    52  -0.30950 -1.0 2.0
   34    33    50    52   0.27300  1.0 3.0
   38    33   -50    44   0.43900  1.0 1.0
   38    33   -50    44   0.49100 -1.0 2.0
   38    33   -50    44   0.28400  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.56750  1.0 1.0
   38    33    50    52  -0.07550 -1.0 2.0
   38    33    50    52   0.20000  1.0 3.0
   38    40    44    45   2.45000 -1.0 2.0
   38    40   -44    50   1.49850  1.0 1.0
   38    40   -44    50   1.53950 -1.0 2.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    46   0.65300  1.0 1.0
   40    38    42    46  -0.03850 -1.0 2.0
   40    38    42    46   0.33900  1.0 3.0
   40    44   -50    33  -0.43950  1.0 1.0
   40    44   -50    33  -0.08100 -1.0 2.0
   40    44   -50    33   0.03350  1.0 3.0
   40    44    50    51   0.00000  1.0 1.0
   40    44    50    52  -0.43950  1.0 1.0
   40    44    50    52  -0.08100 -1.0 2.0
   40    44    50    52   0.03350  1.0 3.0
   41    40    44    45   2.45000 -1.0 2.0
   41    40    44    50   3.04450 -1.0 2.0
   44    50    52    53   0.15000  1.0 3.0
   44    50    52    54   0.15000  1.0 3.0
   44    50    52    55   0.08550  1.0 1.0
   44    50    52    55   1.07500 -1.0 2.0
   44    50    52    55  -0.10950  1.0 3.0
   45    44    50    33   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40  -0.95700  1.0 1.0
   50    33   -38    40  -0.18200 -1.0 2.0
   50    33   -38    40   0.29450  1.0 3.0
   50    33    38    42  -0.95700  1.0 1.0
   50    33    38    42  -0.18200 -1.0 2.0
   50    33    38    42   0.29450  1.0 3.0
   50    52    55    56   0.04150 -1.0 2.0
   50    52    55    68   0.04150 -1.0 2.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.43200  1.0 3.0
   52    55    56    57   3.62500 -1.0 2.0
   52    55    56    58   3.62500 -1.0 2.0
   52    55    68    60   3.62500 -1.0 2.0
   52    55    68    67   3.62500 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    68   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    68   0.00000  1.0 1.0
   55    56    58    59   1.40000 -1.0 2.0
   55    56   -58    60   3.62500 -1.0 2.0
   56    55   -68    60   3.50000 -1.0 2.0
   56    55    68    67   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    68   3.62500 -1.0 2.0
   57    56    58    59   2.00000 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    63   3.62500 -1.0 2.0
   58    60   -68    55   3.00000 -1.0 2.0
   58    60    68    67   3.00000 -1.0 2.0
   59    58    60    61   1.52500 -1.0 2.0
   59    58    60    68   1.52500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    68    55   3.00000 -1.0 2.0
   61    60    68    67   3.00000 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63   -65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    55   3.62500 -1.0 2.0
   65    67   -68    60   3.50000 -1.0 2.0
   65    67    69    70   0.00000  1.0 1.0
   65    67    69    71   0.00000  1.0 1.0
   65    67    69    72   0.18050 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    72    73   0.00000  1.0 1.0
   67    69    72    74   1.44450  1.0 1.0
   67    69    72    74   0.06600 -1.0 2.0
   67    69    72    74   0.29250  1.0 3.0
   68    55    56    57   3.62500 -1.0 2.0
   68    55   -56    58   3.62500 -1.0 2.0
   68    60    61    62   3.62500 -1.0 2.0
   68    60   -61    63   3.62500 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.18050 -1.0 2.0
   69    67    68    55   3.62500 -1.0 2.0
   69    67    68    60   3.62500 -1.0 2.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    79   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    78   0.00000  1.0 1.0
   72    74    79    80   0.00000  1.0 1.0
   72    74    79    81   0.00000  1.0 1.0
   72    74    79    82   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    79   7.00000 -1.0 2.0
   75    74    79    80   0.34800  1.0 3.0
   75    74    79    81   0.34800  1.0 3.0
   75    74    79    82   0.34800  1.0 3.0
   79    74    75    76   0.34800  1.0 3.0
   79    74    75    77   0.34800  1.0 3.0
   79    74    75    78   0.34800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.00000  1.0 1.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
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    44    40    41  10.50000 -1.0 2.0
   45    40    44    50   1.00000 -1.0 2.0
   56    68    55    52   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   59    56    58    60   1.00000 -1.0 2.0
   61    68    60    58   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    69    67    65   4.00000 -1.0 2.0
   60    67    68    55   4.00000 -1.0 2.0
   69    73    72    74  15.00000 -1.0 2.0
   75    79    74    72  15.00000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
END
