* LIGAND DATABASE FILE (OPLS2005)
*
001      97   104    190    340     581
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02102    86.94377   -73.91947
    3     1 S   H    _H1_     3     1.02069    93.43066    34.61410
    4     1 S   H    _H2_     4     1.02084    33.22274   154.33366
    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     1.08519   110.56213    58.83396
   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   CT   _C31    36     1.84432    97.44608   -78.13115
   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   _C21    37     1.66145   110.62531  -180.00000
   38    33 S   CT   _C26    86     1.66489   110.49999   -49.54149
   39    38 S   HC   _H49    87     1.09513   112.17809    64.19249
   40    33 S   OH   _O42    96     1.43977   106.46831    64.51815
   41    40 S   HO   _H63    97     0.96563   105.72256    58.12758
   42    37 S   CMA  _C16    38     1.36767   122.88925   -61.31294
   43    42 S   OM   _O33    39     1.26858   125.72963    -1.31834
   44    42 S   CA   _C10    40     1.52129   114.55866  -179.05643
   45    44 S   CA   _C8_    41     1.40492   122.95556    23.45450
   46    45 S   CA   _C4_    42     1.40056   122.29946   175.34066
   47    46 S   HA   _H42    43     1.08742   120.72793   179.73020
   48    45 S   CO4  _C19    54     1.46692   119.01877    -6.82829
   49    48 S   O    _O36    55     1.22465   119.65752   154.50466
   50    46 S   CA   _C12    44     1.39056   119.74302     0.99229
   51    37 S   CT   _C30    56     1.62343   115.12619   123.13415
   52    50 S   CA   _C6_    45     1.38937   119.66232     0.15195
   53    52 S   HA   _H44    46     1.08743   119.96415   179.11884
   54    50 S   CT   _C32    50     1.49105   120.14387   179.49332
   55    54 S   HC   _H52    51     1.09658   110.39471    90.05261
   56    54 S   HC   _H53    52     1.09804   111.24375  -149.50009
   57    54 S   HC   _H54    53     1.09762   111.34783   -30.51074
   58    51 S   CT   _C23    57     1.63240   113.17159   -86.07720
   59    58 S   HC   _H46    58     1.09536   111.17698  -100.29138
   60    51 S   CT   _C25    82     1.57550   109.37389    24.17962
   61    60 S   HC   _H48    83     1.09867   107.30244   132.04049
   62    44 S   CA   _C14    47     1.41267   120.59650  -159.86870
   63    58 S   CM   _C22    59     1.54092   115.92200    29.50947
   64    60 S   CT   _C28    84     1.54742   126.28754    10.33129
   65    64 S   HC   _H51    85     1.09637   111.82065  -177.86834
   66    58 S   CT   _C27    90     1.55303   104.04550   139.89303
   67    66 S   HC   _H50    91     1.09699   113.24125  -166.03040
   68    62 S   OH   _O37    48     1.36840   122.90658     6.03504
   69    68 S   HO   _H58    49     0.96772   109.83287    -1.94913
   70    63 S   CM   _C20    60     1.36286   121.58080    64.40080
   71    64 S   OH   _O41    88     1.40739   111.75768    59.90169
   72    71 S   HO   _H62    89     0.97495   107.58942    60.03318
   73    66 S   OH   _O40    92     1.42029   110.70537    73.21226
   74    73 S   HO   _H61    93     0.97056   106.86742    59.96786
   75    63 S   OH   _O39    94     1.37738   112.41943  -119.98887
   76    75 S   HO   _H60    95     0.96336   109.98631  -175.40334
   77    70 S   CO4  _C17    61     1.49369   120.56664   173.27360
   78    77 S   O    _O34    62     1.22499   121.60664     5.01770
   79    77 S   CA   _C11    63     1.47981   117.65057  -174.31438
   80    79 S   CA   _C9_    64     1.39554   122.09152    10.21182
   81    80 S   CA   _C5_    65     1.40028   120.27130   177.61394
   82    81 S   HA   _H43    66     1.08793   120.77679   179.92598
   83    80 S   CO4  _C18    77     1.47402   120.67647    -2.38540
   84    83 S   O    _O35    78     1.22742   119.71570   161.62386
   85    81 S   CA   _C13    67     1.39374   120.05075     0.48173
   86    70 S   CT   _C29    79     1.52895   120.53934    -7.93293
   87    85 S   CA   _C7_    68     1.39299   119.97594    -0.20077
   88    87 S   HA   _H45    69     1.08716   119.99790   179.86583
   89    85 S   CT   _C33    73     1.49191   120.03146   179.75691
   90    89 S   HC   _H55    74     1.09666   110.36411    89.99889
   91    89 S   HC   _H56    75     1.09794   111.26089  -149.47148
   92    89 S   HC   _H57    76     1.09744   111.27748   -30.54637
   93    86 S   CT   _C24    80     1.66067   107.77259    29.02628
   94    93 S   HC   _H47    81     1.09417   113.88795   140.44609
   95    79 S   CA   _C15    70     1.40281   118.57483  -171.77784
   96    95 S   OH   _O38    71     1.36373   122.95723     2.65299
   97    96 S   HO   _H59    72     0.96955   110.06609    -0.65849
  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
  19   2   1   1  21  21   9   5   1  11   4  12  12  12   4  12
   3   8  16   8   3   4   2   1   1  16   8  14   7   2  12   9
   4   9   5   1   1  12   3   1   4   1   3   1  10   4  12  11
  12   4   6   2   8   2   8   3   4   2   1   1   1   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    86    64    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    44    48    51    58    70    83    86    93    60    64    65    38    39    71    40    41  
   35    36  
   36  
    0  
   42    43    44    45    62    48    49    51    58    59    63    86    93    60    61    64    38    39    66    40    41  
   39    71    72    66    40    41    42    51    60    61    63    64    65    70    77    80    83    84    86    93    94  
   71    40    60    64    65    70    83    86    93  
   41    42    51    64    86  
    0  
   43    44    45    46    52    62    68    48    51    58    60  
   44    45    62    51  
   45    46    47    50    52    53    62    68    69    48    49    51  
   46    47    50    52    62    68    54    48    49    51    58    60  
   47    50    52    53    62    54    55    56    57    48    49    51  
   50    52    54    48  
   49    51    58    59    63    93    60    61    64    66    50    62  
   51    58    60  
   52    53    62    68    54    55    56    57  
   58    59    63    70    86    93    94    60    61    64    65    71    66    67    73    75  
   53    62    68    69    54    55    56    57  
   62    68    54  
   55    56    57    62  
   56    57  
   57  
    0  
   59    63    70    77    86    93    94    60    61    64    66    67    73    74    75    76  
   63    70    93    60    66    67    73    75  
   61    64    65    71    72    66    67    73    63    70    83    86    93    94  
   64    65    71    66    86    93    94  
   68    69  
   70    77    78    79    83    86    93    66    67    73    75    76  
   65    71    72    66    70    83    86    93    94  
   71    72    86    93  
   67    73    74    75    70    83    86    93    94  
   73    74    86    93    94  
   69  
    0  
   77    78    79    80    95    83    84    86    93    94    75    76  
   72    86    93  
    0  
   74    86    93    94  
   93  
   76    77    86  
    0  
   78    79    80    81    87    95    96    83    86    93  
   79    80    95    86  
   80    81    82    85    87    88    95    96    97    83    84    86  
   81    82    85    87    95    96    89    83    84    86    93  
   82    85    87    88    95    89    90    91    92    83    84    86  
   85    87    89    83  
   84    86    93    94    85    95  
   86    93  
   87    88    95    96    89    90    91    92  
   93    94  
   88    95    96    97    89    90    91    92  
   95    96    89  
   90    91    92    95  
   91    92  
   92  
    0  
   94  
    0  
   96    97  
   97  
    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   0.432500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    51   317.000  1.510
   42    43   745.000  1.250
   42    44   320.000  1.460
   44    45   469.000  1.400
   44    62   469.000  1.400
   45    46   469.000  1.400
   45    48   310.000  1.470
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    52   469.000  1.400
   50    54   317.000  1.510
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    68   450.000  1.364
   68    69   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    51   317.000  1.522
   51    58   268.000  1.529
   51    60   268.000  1.529
   58    59   340.000  1.090
   58    63   317.000  1.510
   58    66   268.000  1.529
   63    70   549.000  1.340
   63    75   510.000  1.338
   70    77   320.000  1.462
   70    86   317.000  1.510
   77    78   570.000  1.229
   77    79   310.000  1.470
   79    80   469.000  1.400
   79    95   469.000  1.400
   80    81   469.000  1.400
   80    83   310.000  1.470
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    87   469.000  1.400
   85    89   317.000  1.510
   87    88   367.000  1.080
   87    95   469.000  1.400
   95    96   450.000  1.364
   96    97   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    93   268.000  1.529
   86    38   268.000  1.529
   93    94   340.000  1.090
   93    60   268.000  1.529
   93    66   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    38   268.000  1.529
   64    71   320.000  1.410
   38    39   340.000  1.090
   71    72   553.000  0.945
   66    67   340.000  1.090
   66    73   320.000  1.410
   73    74   553.000  0.945
   75    76   553.000  0.945
   40    41   553.000  0.945
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  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    51    65.00000  117.92700
   33    38    86    58.35000  112.70000
   33    38    64    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    44    60.00000  123.20500
   37    51    48    70.00000  109.06800
   37    51    58    70.00000  112.02700
   37    51    60    70.00000  112.02700
   42    44    45    60.00000  120.93500
   42    44    62    60.00000  120.93500
   44    42    43    85.00000  114.86500
   44    45    46    63.00000  120.00000
   44    45    48    60.00000  119.52600
   44    62    52    63.00000  120.00000
   44    62    68    70.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    51    65.00000  115.47100
   46    50    52    63.00000  120.00000
   46    50    54    70.00000  120.00000
   50    46    47    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    62    63.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   52    62    68    70.00000  120.00000
   62    44    45    63.00000  120.00000
   62    52    53    35.00000  120.00000
   62    68    69    35.00000  113.00000
   54    50    52    70.00000  120.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    45    46    60.00000  119.52600
   48    51    58    63.00000  111.10000
   48    51    60    63.00000  111.10000
   51    37    42    70.00000  124.00000
   51    48    49    80.00000  120.40000
   51    58    59    37.50000  110.70000
   51    58    63    70.00000  112.02700
   51    58    66    58.35000  112.70000
   51    60    93    58.35000  112.70000
   51    60    61    37.50000  110.70000
   51    60    64    58.35000  112.70000
   58    63    70    70.00000  124.00000
   58    63    75    90.00000  109.34000
   58    66    93    58.35000  112.70000
   58    66    67    37.50000  110.70000
   58    66    73    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    70    77    65.00000  118.96000
   63    70    86    70.00000  124.00000
   63    75    76    70.00000  107.45700
   70    77    78    80.00000  123.72100
   70    77    79    65.00000  117.02400
   70    86    83    70.00000  109.06800
   70    86    93    70.00000  112.02700
   70    86    38    70.00000  112.02700
   77    79    80    60.00000  119.52600
   77    79    95    60.00000  119.52600
   79    77    78    75.00000  123.78400
   79    80    81    63.00000  120.00000
   79    80    83    60.00000  119.52600
   79    95    87    63.00000  120.00000
   79    95    96    70.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    75.00000  123.78400
   80    83    86    65.00000  115.47100
   81    85    87    63.00000  120.00000
   81    85    89    70.00000  120.00000
   85    81    82    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    95    63.00000  120.00000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   87    95    96    70.00000  120.00000
   95    79    80    63.00000  120.00000
   95    87    88    35.00000  120.00000
   95    96    97    35.00000  113.00000
   89    85    87    70.00000  120.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   83    80    81    60.00000  119.52600
   83    86    93    63.00000  111.10000
   83    86    38    63.00000  111.10000
   86    70    77    65.00000  116.34900
   86    83    84    80.00000  120.40000
   86    93    94    37.50000  110.70000
   86    93    60    58.35000  112.70000
   86    93    66    58.35000  112.70000
   86    38    64    58.35000  112.70000
   86    38    39    37.50000  110.70000
   93    60    61    37.50000  110.70000
   93    60    64    58.35000  112.70000
   93    66    67    37.50000  110.70000
   93    66    73    50.00000  109.50000
   60    51    58    58.35000  112.70000
   60    93    94    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    38    58.35000  112.70000
   60    64    71    50.00000  109.50000
   64    60    61    37.50000  110.70000
   64    38    39    37.50000  110.70000
   64    71    72    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    86    93    58.35000  112.70000
   38    64    65    37.50000  110.70000
   71    64    65    35.00000  109.50000
   71    64    38    50.00000  109.50000
   66    58    59    37.50000  110.70000
   66    58    63    70.00000  112.02700
   66    93    94    37.50000  110.70000
   66    93    60    58.35000  112.70000
   66    73    74    55.00000  108.50000
   73    66    67    35.00000  109.50000
   75    63    70    80.00000  121.38400
   40    33    37    90.00000  110.39200
   40    33    38    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    51   0.30250  1.0 1.0
   29    33    37    51  -0.14950 -1.0 2.0
   29    33    37    51   0.36900  1.0 3.0
   29    33    38    86   0.44750  1.0 1.0
   29    33    38    86  -0.17800 -1.0 2.0
   29    33    38    86   0.20200  1.0 3.0
   29    33    38    64   0.44750  1.0 1.0
   29    33    38    64  -0.17800 -1.0 2.0
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   38    86    93    94   0.15000  1.0 3.0
   38    86   -93    60   0.56750  1.0 1.0
   38    86   -93    60  -0.07550 -1.0 2.0
   38    86   -93    60   0.20000  1.0 3.0
   38    86    93    66   0.56750  1.0 1.0
   38    86    93    66  -0.07550 -1.0 2.0
   38    86    93    66   0.20000  1.0 3.0
   38    64    71    72  -0.11600  1.0 1.0
   38    64    71    72  -0.09450 -1.0 2.0
   38    64    71    72   0.21250  1.0 3.0
   71    64    38    33   0.86500  1.0 1.0
   71    64    38    33  -0.17500 -1.0 2.0
   71    64    38    33   0.20800  1.0 3.0
   71    64    38    86   0.86500  1.0 1.0
   71    64    38    86  -0.17500 -1.0 2.0
   71    64    38    86   0.20800  1.0 3.0
   71    64    38    39   0.23400  1.0 3.0
   66    58   -63    70   0.09850  1.0 1.0
   66    58   -63    70   0.15250 -1.0 2.0
   66    58   -63    70  -0.50650  1.0 3.0
   66    58    63    75   0.09700  1.0 1.0
   66    58    63    75   0.15600 -1.0 2.0
   66    58    63    75  -0.50800  1.0 3.0
   66    93   -60    51   0.56750  1.0 1.0
   66    93   -60    51  -0.07550 -1.0 2.0
   66    93   -60    51   0.20000  1.0 3.0
   66    93    60    61   0.15000  1.0 3.0
   66    93    60    64   0.56750  1.0 1.0
   66    93    60    64  -0.07550 -1.0 2.0
   66    93    60    64   0.20000  1.0 3.0
   67    66    73    74   0.19450  1.0 3.0
   75    63    70    77   7.00000 -1.0 2.0
   75    63    70    86   7.00000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    51   0.18000  1.0 1.0
   40    33    37    51   0.16450 -1.0 2.0
   40    33    37    51   0.04450  1.0 3.0
   40    33    38    86   0.86500  1.0 1.0
   40    33    38    86  -0.17500 -1.0 2.0
   40    33    38    86   0.20800  1.0 3.0
   40    33    38    64   0.86500  1.0 1.0
   40    33    38    64  -0.17500 -1.0 2.0
   40    33    38    64   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
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
   33    51    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   45    62    44    42   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   52    54    50    46   4.00000 -1.0 2.0
   62    53    52    50   1.10000 -1.0 2.0
   52    68    62    44   4.00000 -1.0 2.0
   45    51    48    49  10.50000 -1.0 2.0
   58    75    63    70   1.10000 -1.0 2.0
   77    86    70    63   1.10000 -1.0 2.0
   70    79    77    78  10.50000 -1.0 2.0
   80    95    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   87    89    85    81   4.00000 -1.0 2.0
   95    88    87    85   1.10000 -1.0 2.0
   87    96    95    79   4.00000 -1.0 2.0
   80    86    83    84  10.50000 -1.0 2.0
END
