* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    191    321     585
    1     0 S   NP   _N1_     1    28.38478    98.61104   -21.62678
    2     1 S   H    _HN1     2     1.02953    64.14932   -12.05243
    3     1 S   H    _H1_     3     1.02833    47.08951   141.62549
    4     1 S   H    _H2_     4     1.02775   103.33815  -116.20249
    5     1 S   CT   _CA1     5     1.50168   143.37757    77.74946
    6     5 S   HC   _HA1     6     1.09577   105.17106   103.96205
    7     5 S   CO3  _C1_     7     1.53760   112.22090   -16.14596
    8     7 S   O2Z  _O11     8     1.26374   114.97758   -45.71691
    9     7 S   O2Z  _O12     9     1.26219   114.91535   133.03756
   10     5 S   CT   _CB1    10     1.53064   107.37375  -138.20794
   11    10 S   HC   HB11    11     1.09834   109.26856   -50.10126
   12    10 S   HC   HB12    12     1.09812   110.48295    66.42857
   13    10 S   CT   _CG1    13     1.53038   112.71873  -171.11414
   14    13 S   HC   HG11    14     1.09591   110.59172   -66.14534
   15    13 S   HC   HG12    15     1.09662   109.86733    53.08774
   16    13 S   C    _CD1    16     1.51859   112.09367   173.42517
   17    16 S   O    _OE1    17     1.22783   123.28557     5.46214
   18    16 S   N    _N2_    18     1.38495   111.87689  -174.50103
   19    18 S   H    _HN2    19     1.01678   119.21009     0.59446
   20    18 S   CT1  _CA2    20     1.45851   122.74030   178.58944
   21    20 S   HC   _HA2    21     1.09730   108.66469    31.77852
   22    20 S   C    _C2_    22     1.52965   107.29925   -85.58677
   23    22 S   O    _O2_    23     1.22974   123.10610   -27.58297
   24    20 S   CT   _CB2    32     1.53202   112.06762   154.97356
   25    24 S   HC   HB21    33     1.09392   109.41653    57.76837
   26    24 S   HC   HB22    34     1.09532   110.44650   175.63507
   27    22 S   N    _N3_    24     1.38510   112.51804   155.23640
   28    27 S   H    _HN3    25     1.01653   120.35430    -2.25967
   29    24 S   S    _SG2    35     1.82962   110.84109   -65.22147
   30    27 S   CT   _CA3    26     1.45357   122.47898   178.62143
   31    30 S   HC   HA31    27     1.09568   107.79504   -56.26206
   32    30 S   HC   HA32    28     1.09565   107.62119    60.07020
   33    29 S   CT   _C26    36     1.92838   102.17271   143.50576
   34    30 S   CO3  _C3_    29     1.52895   114.32538  -178.14059
   35    34 S   O2Z  _O31    30     1.26337   116.05419     0.54393
   36    34 S   O2Z  _O32    31     1.26437   114.41626  -179.50189
   37    33 S   CO4  _C27    37     1.55338   104.15044   -57.71224
   38    37 S   O    _O37    38     1.23111   122.88897   -40.17739
   39    33 S   CT   _C17    49     1.54956   106.85698    59.33423
   40    39 S   HC   _H7_    50     1.09914   111.42462   -50.20738
   41    37 S   CA   _C13    39     1.48778   119.02569   140.69547
   42    39 S   CT   _C18    51     1.53995   112.56833    69.36957
   43    42 S   HC   _H8_    52     1.09493   109.26540   -64.61734
   44    41 S   CA   _C12    40     1.40008   118.43135   179.09302
   45    44 S   HA   _H15    41     1.08754   121.18354     1.83813
   46    42 S   CT   _C19    53     1.52542   113.20293    56.36592
   47    46 S   HC   _H17    54     1.09174   109.59612    72.00038
   48    46 S   HC   _H18    55     1.09943   107.54739  -175.08506
   49    42 S   OH   _O41    76     1.42827   110.91613  -179.53480
   50    49 S   HO   _H28    77     0.97357   107.74097   -65.77496
   51    44 S   CA   _C11    42     1.39517   120.49334  -177.31394
   52    51 S   HA   _H14    43     1.08777   118.57477   179.26618
   53    46 S   CT   _C20    56     1.54093   112.71649   -53.99604
   54    51 S   CA   _C10    44     1.40160   120.90661    -0.07133
   55    53 S   CT   _C21    57     1.54714   110.01614   176.46881
   56    55 S   HC   _H19    58     1.09939   108.66305    48.66213
   57    55 S   HC   _H20    59     1.09986   108.79277   160.15908
   58    53 S   OH   _O40    74     1.44366   104.54288   -71.03656
   59    58 S   HO   _H27    75     0.97504   105.97747   159.19830
   60    54 S   CA   _C15    45     1.40648   118.24151     0.76999
   61    55 S   CT   _C22    60     1.53877   115.36353   -76.05210
   62    54 S   CT   _C9_    80     1.51841   120.44334   178.74181
   63    62 S   HC   _H6_    81     1.09732   109.14095   151.97886
   64    41 S   CA   _C14    46     1.39592   121.91076     1.80559
   65    61 S   CT   _C23    61     1.52767   114.58233    -8.63147
   66    65 S   HC   _H21    62     1.09828   109.50523  -158.94561
   67    65 S   HC   _H22    63     1.09272   112.34398    83.07566
   68    61 S   CT   _C28    68     1.53421   110.88755   115.86384
   69    68 S   HC   _H23    69     1.09619   110.98632    58.47656
   70    68 S   HC   _H24    70     1.09456   111.74213   -62.65034
   71    68 S   HC   _H25    71     1.09624   110.79930   176.29419
   72    61 S   OH   _O39    72     1.43609   108.16712  -127.87101
   73    72 S   HO   _H26    73     0.97250   108.04887   -56.15998
   74    60 S   OH   _O34    78     1.37261   116.94417   178.86875
   75    74 S   HO   _H16    79     0.97345   109.24195  -175.37772
   76    62 S   CT   _C8_    82     1.53019   110.73700   -86.32438
   77    76 S   HC   _H12    83     1.09715   111.26430   -59.53051
   78    76 S   HC   _H13    84     1.09898   110.39673    57.61762
   79    64 S   CO4  _C16    47     1.47965   119.01261    -4.07073
   80    79 S   O    _O35    48     1.22682   119.69470   160.69262
   81    65 S   CO4  _C24    64     1.51627   113.48393   -39.19807
   82    81 S   O    _O36    65     1.23614   118.12217  -135.60811
   83    76 S   CT   _C7_    85     1.52621   110.69786   177.91888
   84    83 S   HC   _H5_    86     1.09673   110.38192    70.35833
   85    33 S   CT   _C25    66     1.60234   111.24385  -179.47773
   86    85 S   OM   _O38    67     1.33085   110.50873    50.90188
   87    83 S   CT   _C6_    87     1.53174   110.74549   -51.69537
   88    87 S   HC   _H4_    88     1.09710   108.90930   -70.94393
   89    83 S   OH   _O42    98     1.42580   109.34766  -172.03908
   90    89 S   HO   _H29    99     0.97244   107.59892   -58.79586
   91    87 S   CT   _C5_    89     1.53438   110.77422    50.43342
   92    91 S   HC   _H3_    90     1.09799   110.37447    66.40022
   93    87 S   OH   _O43    96     1.42680   109.79924   172.22792
   94    93 S   HO   _H30    97     0.97226   108.09430   -58.59214
   95    62 S   OS   _O33    91     1.43428   109.72187    35.09431
   96    91 S   CT   _C4_    92     1.52519   111.59976  -174.01634
   97    96 S   HC   _H9_    93     1.09564   110.91274    60.54917
   98    96 S   HC   _H10    94     1.09396   111.69639   -60.93777
   99    96 S   HC   _H11    95     1.09555   110.28291   178.40125
  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  12   5   4   3
  21   2   1   1  15   5  17   8  11  13   7   8   4  15   6   5
   3   1   9   3  13  13  17   7   6   5   1   9  12  14   6   4
  12   6   5   6   3   2   1   2   1   2   1  11   6   5   2   1
   3   2  11   6   1   1  12   7   3   1   8   6   3   1   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    39    85    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    79    39    40    42    53    81    85    86  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    64    79    80    39    40    42    43    46    53    55    65    81    82    85    86    58    49  
   35    36  
   36  
    0  
   38    41    44    45    51    60    64    79    39    40    42    53    81    85    86  
   41    44    64    39    85  
   40    42    43    46    47    48    53    81    85    86    49    50    41    60    64    79    80  
   42    43    46    85    49    64    79    80  
   44    45    51    52    54    60    64    79    80    85    74  
   43    46    47    48    53    55    85    58    49    50    64    79    80  
   46    47    48    53    49    50    79  
   45    51    52    54    60    64    79    62  
   51    52    54    64  
   47    48    53    55    56    57    61    81    85    86    58    59    49    50    79  
   48    53    55    85    58    49  
   53    55    85    58    49  
   50    53    79  
    0  
   52    54    60    64    74    62    63    76    95  
   54    60    62  
   55    56    57    61    65    81    82    85    86    68    72    58    59  
   60    64    79    74    75    62    63    76    77    78    83    91    95  
   56    57    61    65    66    67    81    85    86    68    69    70    71    72    73    58    59  
   57    61    65    85    68    72    58  
   61    65    85    68    72    58  
   59    61    81    85    86  
   85  
   64    79    80    74    75    62    63    76    95  
   65    66    67    81    82    85    68    69    70    71    72    73  
   63    76    77    78    83    84    87    91    92    95    96    89    64    74  
   76    77    78    83    91    95  
   79    80    74    75  
   66    67    81    82    85    86    68    69    70    71    72    73  
   67    81    82    85    68    72  
   81    82    85    68    72  
   69    70    71    72    73    81  
   70    71    72  
   71    72  
   72  
   73    81  
    0  
   75    79  
    0  
   77    78    83    84    87    88    91    95    93    89    90  
   78    83    84    87    95    89  
   83    84    87    95    89  
   80    85  
    0  
   82    85    86  
   85    86  
   84    87    88    91    92    95    96    93    94    89    90  
   87    88    91    93    89    90  
   86  
    0  
   88    91    92    95    96    97    98    99    93    94    89    90  
   91    92    95    96    93    94    89  
   90    91    93  
    0  
   92    95    96    97    98    99    93    94  
   95    96    97    98    99    93  
   94    95    96  
    0  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   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    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  1.522
   33    39   268.000  1.529
   33    85   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    64   469.000  1.400
   44    45   367.000  1.080
   44    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    60   469.000  1.400
   54    62   317.000  1.510
   60    64   469.000  1.400
   60    74   450.000  1.364
   64    79   310.000  1.470
   79    80   570.000  1.229
   79    39   317.000  1.522
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    55   268.000  1.529
   53    85   268.000  1.529
   53    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    65   268.000  1.529
   61    68   268.000  1.529
   61    72   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    81   317.000  1.522
   81    82   570.000  1.229
   81    85   317.000  1.522
   85    86   570.000  1.307
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   58    59   553.000  0.945
   49    50   553.000  0.945
   74    75   553.000  0.945
   62    63   340.000  1.090
   62    76   268.000  1.529
   62    95   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    87   268.000  1.529
   83    89   320.000  1.410
   87    88   340.000  1.090
   87    91   268.000  1.529
   87    93   320.000  1.410
   91    92   340.000  1.090
   91    95   320.000  1.410
   91    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   93    94   553.000  0.945
   89    90   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    85    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    39    79    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    85    53    58.35000  112.70000
   33    85    81    63.00000  111.10000
   33    85    86    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    64    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    35.00000  120.00000
   41    44    51    63.00000  120.00000
   41    64    60    63.00000  120.00000
   41    64    79    60.00000  119.52600
   44    51    52    35.00000  120.00000
   44    51    54    63.00000  120.00000
   51    44    45    35.00000  120.00000
   51    54    60    63.00000  120.00000
   51    54    62    70.00000  120.00000
   54    51    52    35.00000  120.00000
   54    60    64    63.00000  120.00000
   54    60    74    70.00000  120.00000
   54    62    63    35.00000  109.50000
   54    62    76    70.00000  112.17500
   54    62    95    85.00000  111.85700
   60    64    79    60.00000  119.52600
   60    74    75    35.00000  113.00000
   64    41    44    63.00000  120.00000
   64    79    80    75.00000  123.78400
   64    79    39    65.00000  115.47100
   79    39    40    35.00000  109.50000
   79    39    42    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    79    80    80.00000  120.40000
   39    42    43    37.50000  110.70000
   39    42    46    58.35000  112.70000
   39    42    49    50.00000  109.50000
   42    39    40    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    53    58.35000  112.70000
   42    49    50    55.00000  108.50000
   46    42    43    37.50000  110.70000
   46    53    55    58.35000  112.70000
   46    53    85    58.35000  112.70000
   46    53    58    50.00000  109.50000
   48    46    47    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    61    58.35000  112.70000
   53    85    81    63.00000  111.10000
   53    85    86    50.00000  109.50000
   53    58    59    55.00000  108.50000
   55    61    65    58.35000  112.70000
   55    61    68    58.35000  112.70000
   55    61    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    81    63.00000  111.10000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   61    72    73    55.00000  108.50000
   65    81    82    80.00000  120.40000
   65    81    85    70.00000  116.00000
   67    65    66    33.00000  107.80000
   81    65    66    35.00000  109.50000
   81    65    67    35.00000  109.50000
   81    85    86    90.00000  108.74100
   85    33    37    63.00000  111.10000
   85    33    39    58.35000  112.70000
   85    53    55    58.35000  112.70000
   85    81    82    80.00000  120.40000
   68    61    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    61    65    50.00000  109.50000
   72    61    68    50.00000  109.50000
   58    53    55    50.00000  109.50000
   58    53    85    50.00000  109.50000
   49    42    43    35.00000  109.50000
   49    42    46    50.00000  109.50000
   74    60    64    70.00000  120.00000
   62    54    60    70.00000  120.00000
   62    76    77    37.50000  110.70000
   62    76    78    37.50000  110.70000
   62    76    83    58.35000  112.70000
   62    95    91    60.00000  109.50000
   76    62    63    37.50000  110.70000
   76    83    84    37.50000  110.70000
   76    83    87    58.35000  112.70000
   76    83    89    50.00000  109.50000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    87    88    37.50000  110.70000
   83    87    91    58.35000  112.70000
   83    87    93    50.00000  109.50000
   83    89    90    55.00000  108.50000
   87    83    84    37.50000  110.70000
   87    91    92    37.50000  110.70000
   87    91    95    50.00000  109.50000
   87    91    96    58.35000  112.70000
   87    93    94    55.00000  108.50000
   91    87    88    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    37.50000  110.70000
   95    62    63    35.00000  109.50000
   95    62    76    50.00000  109.50000
   95    91    92    35.00000  109.50000
   96    91    92    37.50000  110.70000
   96    91    95    50.00000  109.50000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   93    87    88    35.00000  109.50000
   93    87    91    50.00000  109.50000
   89    83    84    35.00000  109.50000
   89    83    87    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   0.01700  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    85   0.01700  1.0 1.0
   24    29    33    85  -0.23550 -1.0 2.0
   24    29    33    85   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
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   95    91    96    98   0.23400  1.0 3.0
   95    91    96    99   0.23400  1.0 3.0
   96    91    95    62   0.06250  1.0 1.0
   96    91    95    62  -0.01100 -1.0 2.0
   96    91    95    62   0.28050  1.0 3.0
   93    87    91    92   0.23400  1.0 3.0
   93    87    91    95   3.69350  1.0 1.0
   93    87    91    95  -1.82950 -1.0 2.0
   93    87    91    96   0.86500  1.0 1.0
   93    87    91    96  -0.17500 -1.0 2.0
   93    87    91    96   0.20800  1.0 3.0
   89    83    87    88   0.23400  1.0 3.0
   89    83    87    91   0.86500  1.0 1.0
   89    83    87    91  -0.17500 -1.0 2.0
   89    83    87    91   0.20800  1.0 3.0
   89    83    87    93   3.75450  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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    64    41    37   4.00000 -1.0 2.0
   51    45    44    41   1.10000 -1.0 2.0
   54    52    51    44   1.10000 -1.0 2.0
   60    62    54    51   4.00000 -1.0 2.0
   64    74    60    54   4.00000 -1.0 2.0
   60    79    64    41   4.00000 -1.0 2.0
   64    39    79    80  10.50000 -1.0 2.0
   65    85    81    82  10.50000 -1.0 2.0
END
