* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    197    319     594
    1     0 S   NP   _N1_     1    29.14957    94.87143   -18.49792
    2     1 S   H    _HN1     2     1.02781    69.83271   -62.90808
    3     1 S   H    _H1_     3     1.02963   105.64676    41.22312
    4     1 S   H    _H2_     4     1.02839    40.81742   139.41366
    5     1 S   CT   _CA1     5     1.50094   140.34758  -163.74230
    6     5 S   HC   _HA1     6     1.09566   105.32865    23.51494
    7     5 S   CO3  _C1_     7     1.53902   112.19083   -96.89576
    8     7 S   O2Z  _O11     8     1.26364   115.05243   -47.71068
    9     7 S   O2Z  _O12     9     1.26236   114.90527   131.48125
   10     5 S   CT   _CB1    10     1.53076   107.42672   141.51564
   11    10 S   HC   HB11    11     1.09817   109.65873   -49.68220
   12    10 S   HC   HB12    12     1.09842   110.25031    66.89389
   13    10 S   CT   _CG1    13     1.53037   112.61005  -170.80585
   14    13 S   HC   HG11    14     1.09572   110.23285   -55.49348
   15    13 S   HC   HG12    15     1.09588   110.36276    63.70669
   16    13 S   C    _CD1    16     1.51760   111.73084  -175.99591
   17    16 S   O    _OE1    17     1.22745   123.05010   -19.14981
   18    16 S   N    _N2_    18     1.38544   111.81727   161.00986
   19    18 S   H    _HN2    19     1.01585   119.05510     3.60647
   20    18 S   CT1  _CA2    20     1.46233   123.38930  -172.60880
   21    20 S   HC   _HA2    21     1.09727   109.36745   -19.24648
   22    20 S   C    _C2_    22     1.53335   108.29668  -135.24757
   23    22 S   O    _O2_    23     1.23000   122.31274  -145.29300
   24    20 S   CT   _CB2    32     1.53893   111.03211   102.77832
   25    24 S   HC   HB21    33     1.09111   108.98371    56.36891
   26    24 S   HC   HB22    34     1.09417   109.91006   174.17755
   27    22 S   N    _N3_    24     1.38527   113.25861    42.04910
   28    27 S   H    _HN3    25     1.01541   118.89453    -0.51052
   29    24 S   S    _SG2    35     1.83151   111.16075   -66.73593
   30    27 S   CT   _CA3    26     1.45442   123.39042   175.12508
   31    30 S   HC   HA31    27     1.09528   109.16133    25.69431
   32    30 S   HC   HA32    28     1.09493   107.13749   142.68823
   33    29 S   CT   _C22    36     1.89902   104.71378   154.30399
   34    30 S   CO3  _C3_    29     1.52931   113.18362   -97.72924
   35    34 S   O2Z  _O31    30     1.26397   115.44002   -43.69152
   36    34 S   O2Z  _O32    31     1.26361   114.96042   137.25988
   37    33 S   CT   _C23    37     1.56268   102.39285   155.73923
   38    37 S   HC   _H29    38     1.09774   111.26613   -52.04255
   39    37 S   HC   _H30    39     1.09458   111.85170  -170.17719
   40    33 S   CT   _C5_    85     1.57103   111.45799    38.87242
   41    40 S   HC   _H3_    86     1.09545   108.74356   -60.59116
   42    37 S   CO4  _C24    40     1.51582   113.84936    69.60235
   43    42 S   O    _O36    41     1.23107   121.33955  -136.73487
   44    40 S   CT   _C4_    87     1.54076   115.04382    58.87763
   45    44 S   HC   _H7_    88     1.09490   111.73877    68.19660
   46    44 S   HC   _H8_    89     1.09189   112.83767   -53.70515
   47    44 S   HC   _H9_    90     1.09623   110.06334  -172.99742
   48    42 S   CT   _C25    42     1.50501   117.08008    49.20274
   49    48 S   HC   _H31    43     1.09393   108.61104    74.47705
   50    48 S   HC   _H32    44     1.09564   108.74755  -168.74075
   51    48 S   CT   _C26    45     1.51954   110.50408   -48.67683
   52    51 S   HC   _H33    46     1.09607   108.94707   177.39631
   53    51 S   HC   _H34    47     1.09790   108.22442   -69.66325
   54    33 S   CT   _C21    48     1.60657   112.28782   -87.11607
   55    54 S   CT   _C8_    49     1.58852   109.25570   178.43090
   56    55 S   HC   _H5_    50     1.09779   107.50055    59.48371
   57    54 S   CT   _C27    95     1.55196   112.45425    56.98344
   58    57 S   HC   _H35    96     1.09227   112.76202    56.94362
   59    57 S   HC   _H36    97     1.09264   111.70015   -64.81938
   60    57 S   HC   _H37    98     1.09388   111.92176   177.99826
   61    55 S   CT   _C9_    51     1.55442   114.74830   174.89523
   62    61 S   HC   _H12    52     1.09282   111.05178    55.17297
   63    61 S   HC   _H13    53     1.09537   109.82883   -62.04158
   64    61 S   CT   _C10    54     1.53868   113.74049   178.01141
   65    64 S   HC   _H14    55     1.09693   107.99418    68.44909
   66    64 S   HC   _H15    56     1.09501   108.73001  -176.57132
   67    64 S   CT   _C11    57     1.53915   112.03687   -53.80796
   68    67 S   CT   _C12    58     1.54771   106.56193    57.18248
   69    68 S   HC   _H6_    59     1.10235   108.54342    56.41005
   70    67 S   CT   _C20    91     1.55376   109.72913   -65.48369
   71    70 S   HC   _H26    92     1.09449   112.54806  -176.77694
   72    70 S   HC   _H27    93     1.09289   112.93827    62.35052
   73    70 S   HC   _H28    94     1.09550   110.76136   -56.90324
   74    68 S   CT   _C13    60     1.52307   103.50159   168.95552
   75    74 S   HC   _H16    61     1.09502   111.88204  -154.74673
   76    74 S   HC   _H17    62     1.09587   111.55905    84.82802
   77    55 S   CT   _C7_    80     1.55495   111.83335   -56.32626
   78    77 S   HC   _H4_    81     1.09457   109.92813   -60.90156
   79    74 S   CT   _C14    63     1.53983   104.57519   -34.48105
   80    79 S   HC   _H18    64     1.09525   108.58753   130.04330
   81    79 S   HC   _H19    65     1.09473   109.10125  -113.60251
   82    77 S   CT   _C6_    82     1.53237   110.72765    57.63492
   83    82 S   HC   _H10    83     1.09719   109.75217    68.60808
   84    82 S   HC   _H11    84     1.09785   108.94376  -175.99665
   85    67 S   CT   _C15    66     1.56958   116.59420   167.94205
   86    85 S   CO4  _C16    67     1.54364   113.07837    82.36139
   87    86 S   O    _O33    68     1.23267   122.09029   107.40724
   88    85 S   OS   _O34    73     1.44986   108.40286   -40.17039
   89    86 S   CT   _C17    69     1.50954   118.18987   -69.85630
   90    89 S   HC   _H20    70     1.09176   109.66446    88.59972
   91    89 S   HC   _H21    71     1.09173   111.17120   -33.04312
   92    89 S   HC   _H22    72     1.09390   109.10505  -151.78543
   93    88 S   CO4  _C18    74     1.36294   120.41002  -179.43007
   94    93 S   O    _O35    75     1.22256   126.61269    -0.96063
   95    93 S   CT   _C19    76     1.49832   109.33130   179.33618
   96    95 S   HC   _H23    77     1.09295   109.82411   -60.13605
   97    95 S   HC   _H24    78     1.09375   109.37216  -179.14225
   98    95 S   HC   _H25    79     1.09289   109.79826    61.75105
  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  13   5   4   3
  27   2   1   1  15   6   5  16   9   8   4   8   3   2   1   8
   5   4  11   4   3  14  20   9   5   2   1   1  12   6   5  15
   5   4  21  19   9   9   3   2   1  11   6   5   6   3   8   4
   3   2   1   1  10   7   5   7   3   2   1   1   5   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    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    54    55    82    40    41    44    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    48    51    52    53    54    55    56    61    77    82    83    84    40    41    44    45    46    47    57    58    59    60  
   35    36  
   36  
    0  
   38    39    42    43    48    49    50    51    54    55    82    40    41    44    57  
   39    42    43    48    54    40  
   42    43    48    54    40  
   41    44    45    46    47    57    42    51    54    55    68    77    78    82    83    84  
   44    45    46    47    54    77    82    83    84  
   43    48    49    50    51    52    53    54  
   48    49    50    51  
   45    46    47    54    77    82    83    84  
   46    47    82  
   47    82  
   82  
   49    50    51    52    53    54    55    57  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    61    77    57    58    59    60  
   53    54    55    57  
   54    55    57  
   55    56    61    62    63    64    68    77    78    82    57    58    59    60  
   56    61    62    63    64    65    66    67    68    69    74    77    78    82    83    84    57    58    59    60  
   61    62    63    64    68    77    78    82    57  
   58    59    60    61    77  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    85    77    78    82    70  
   63    64    65    66    67    77  
   64    65    66    67    77  
   65    66    67    68    69    74    79    85    86    88    77    70    71    72    73  
   66    67    68    85    70  
   67    68    85    70  
   68    69    74    75    76    79    80    81    85    86    87    89    88    93    77    78    82    70    71    72    73  
   69    74    75    76    79    80    81    85    86    88    77    78    82    83    84    70    71    72    73  
   74    75    76    79    85    77    78    82    70  
   71    72    73    74    77    79    85    86    88  
   72    73    85  
   73    85  
   85  
   75    76    79    80    81    85    86    88    77    78    82  
   76    79    80    81    85    77  
   79    80    81    85    77  
   78    82    83    84    79    85  
   82    83    84  
   80    81    85    86    87    89    88    93  
   81    85    86    88  
   85    86    88  
   83    84  
   84  
    0  
   86    87    89    90    91    92    88    93    94    95  
   87    89    90    91    92    88    93  
   89    90    91    92    88  
   93    94    95    96    97    98    89  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    57   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    77   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    85   268.000  1.529
   67    70   268.000  1.529
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   317.000  1.522
   85    88   320.000  1.410
   86    87   570.000  1.229
   86    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   88    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   77    78   340.000  1.090
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    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    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    54    51    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    48    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    63.00000  111.10000
   48    42    43    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    58.35000  112.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    33    37    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    61    58.35000  112.70000
   54    55    77    58.35000  112.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    58.35000  112.70000
   55    77    68    58.35000  112.70000
   55    77    78    37.50000  110.70000
   55    77    82    58.35000  112.70000
   61    55    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    85    58.35000  112.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    74    58.35000  112.70000
   67    68    77    58.35000  112.70000
   67    85    79    58.35000  112.70000
   67    85    86    63.00000  111.10000
   67    85    88    50.00000  109.50000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    79    58.35000  112.70000
   68    77    78    37.50000  110.70000
   68    77    82    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    85    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    85    86    63.00000  111.10000
   79    85    88    50.00000  109.50000
   81    79    80    33.00000  107.80000
   85    67    68    58.35000  112.70000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    86    87    80.00000  120.40000
   85    86    89    70.00000  116.00000
   85    88    93    83.00000  116.90000
   86    89    90    35.00000  109.50000
   86    89    91    35.00000  109.50000
   86    89    92    35.00000  109.50000
   89    86    87    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   88    85    86    90.00000  108.74100
   88    93    94    83.00000  123.40000
   88    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    61    58.35000  112.70000
   77    68    69    37.50000  110.70000
   77    68    74    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    40    58.35000  112.70000
   82    77    78    37.50000  110.70000
   82    40    41    37.50000  110.70000
   82    40    44    58.35000  112.70000
   84    82    83    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   70    67    68    58.35000  112.70000
   70    67    85    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
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   70    67    85    86  -0.18200 -1.0 2.0
   70    67    85    86   0.29450  1.0 3.0
   70    67    85    88   0.62750  1.0 1.0
   70    67    85    88  -0.30950 -1.0 2.0
   70    67    85    88   0.27300  1.0 3.0
   57    54    55    56   0.15000  1.0 3.0
   57    54    55    61   0.56750  1.0 1.0
   57    54    55    61  -0.07550 -1.0 2.0
   57    54    55    61   0.20000  1.0 3.0
   57    54    55    77   0.56750  1.0 1.0
   57    54    55    77  -0.07550 -1.0 2.0
   57    54    55    77   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    48    42    43  10.50000 -1.0 2.0
   85    89    86    87  10.50000 -1.0 2.0
   88    95    93    94  10.50000 -1.0 2.0
END
