* LIGAND DATABASE FILE (OPLS2005)
*
001     101   100    181    248     513
    1     0 S   NP   _N1_     1    28.90866    95.90514   -21.90236
    2     1 S   H    _HN1     2     1.02959    83.20093    33.21815
    3     1 S   H    _H1_     3     1.02835    36.27814   164.58498
    4     1 S   H    _H2_     4     1.02778    90.67371   -75.17254
    5     1 S   CT   _CA1     5     1.50099   146.39734   150.23601
    6     5 S   HC   _HA1     6     1.09577   105.24181    68.09463
    7     5 S   CO3  _C1_     7     1.53823   112.48036   -52.09963
    8     7 S   O2Z  _O11     8     1.26356   114.99833   -42.54308
    9     7 S   O2Z  _O12     9     1.26248   114.92889   136.73226
   10     5 S   CT   _CB1    10     1.53114   107.43967  -173.99270
   11    10 S   HC   HB11    11     1.09816   109.39628   -51.23473
   12    10 S   HC   HB12    12     1.09818   110.39567    65.37797
   13    10 S   CT   _CG1    13     1.52934   112.55301  -172.36964
   14    13 S   HC   HG11    14     1.09543   110.22152   -63.34492
   15    13 S   HC   HG12    15     1.09650   110.04045    55.78293
   16    13 S   C    _CD1    16     1.51781   112.55039   176.31411
   17    16 S   O    _OE1    17     1.22698   123.32004    -3.39361
   18    16 S   N    _N2_    18     1.38596   111.46798   176.79784
   19    18 S   H    _HN2    19     1.01463   119.10334     1.40723
   20    18 S   CT1  _CA2    20     1.46036   123.66577  -179.75934
   21    20 S   HC   _HA2    21     1.09713   109.27647    -8.45519
   22    20 S   C    _C2_    22     1.53547   109.42619  -124.36097
   23    22 S   O    _O2_    23     1.23058   121.74513  -158.01237
   24    20 S   CT   _CB2    32     1.53460   111.14961   113.56805
   25    24 S   HC   HB21    33     1.09573   110.09425    54.52125
   26    24 S   HC   HB22    34     1.09506   110.48029   173.74803
   27    22 S   N    _N3_    24     1.38355   114.08214    28.78813
   28    27 S   H    _HN3    25     1.01489   118.90257     1.00872
   29    24 S   S    _SG2    35     1.82495   111.91417   -66.16859
   30    27 S   CT   _CA3    26     1.45382   123.39889   176.66287
   31    30 S   HC   HA31    27     1.09439   108.97073    28.30490
   32    30 S   HC   HA32    28     1.09491   107.14266   145.15796
   33    29 S   CT   _C23    36     1.81937    98.70316   177.93076
   34    33 S   HC   _H27    37     1.09475   109.36580    53.79676
   35    33 S   HC   _H28    38     1.09132   108.41907   -63.88925
   36    30 S   CO3  _C3_    29     1.52885   113.37323   -95.11473
   37    36 S   O2Z  _O31    30     1.26394   115.47613   -42.41996
   38    36 S   O2Z  _O32    31     1.26370   114.93313   138.61909
   39    33 S   CM   _C22    39     1.49907   109.00860   172.63771
   40    39 S   HC   _H26    40     1.09031   114.39057   -64.27899
   41    39 S   CM   _C21    41     1.34765   127.89097   115.97179
   42    41 S   CT   _C24    42     1.50717   120.18512  -179.59122
   43    42 S   HC   _H29    43     1.09451   110.50062   120.40339
   44    42 S   HC   _H30    44     1.09518   112.37521     0.33977
   45    42 S   HC   _H31    45     1.09494   110.25793  -119.60211
   46    41 S   CT   _C20    46     1.51223   124.75846     1.19959
   47    46 S   HC   _H24    47     1.09851   108.75413   142.35429
   48    46 S   HC   _H25    48     1.09606   110.98192    27.62454
   49    46 S   CT   _C19    49     1.53308   112.17570   -95.61564
   50    49 S   HC   _H22    50     1.09673   110.25981   -56.74536
   51    49 S   HC   _H23    51     1.09440   109.39701    60.01811
   52    49 S   CM   _C18    52     1.50408   110.74228  -176.05742
   53    52 S   HC   _H21    53     1.08953   114.31648    62.24850
   54    52 S   CM   _C17    54     1.34688   127.60017  -117.19297
   55    54 S   CT   _C25    55     1.50631   120.39512   178.76425
   56    55 S   HC   _H32    56     1.09492   110.26124   118.64499
   57    55 S   HC   _H33    57     1.09512   112.37491    -1.40764
   58    55 S   HC   _H34    58     1.09482   110.35157  -121.45236
   59    54 S   CT   _C16    59     1.51203   124.57315    -1.49305
   60    59 S   HC   _H19    60     1.09683   110.64275   -35.54857
   61    59 S   HC   _H20    61     1.09841   109.03804  -150.42774
   62    59 S   CT   _C15    62     1.53161   111.80236    87.67524
   63    62 S   HC   _H17    63     1.09325   109.87199    49.42452
   64    62 S   HC   _H18    64     1.09690   109.62163   -66.83275
   65    62 S   CM   _C14    65     1.50335   111.09719   173.93870
   66    65 S   HC   _H16    66     1.08796   113.91960    58.91004
   67    65 S   CM   _C13    67     1.34757   127.88179  -122.22178
   68    67 S   CT   _C26    68     1.50721   120.25029  -179.60634
   69    68 S   HC   _H35    69     1.09428   110.54969   116.35565
   70    68 S   HC   _H36    70     1.09499   110.31650  -123.55472
   71    68 S   HC   _H37    71     1.09439   112.41378    -4.05270
   72    67 S   CT   _C12    72     1.51465   124.73182     1.96911
   73    72 S   HC   _H14    73     1.09579   111.35823    24.55093
   74    72 S   HC   _H15    74     1.09821   108.33516   138.85966
   75    72 S   CT   _C11    75     1.53464   113.82708  -100.37800
   76    75 S   HC   _H12    76     1.09430   110.36560   -56.07355
   77    75 S   HC   _H13    77     1.09751   108.25758  -171.21352
   78    75 S   CM   _C10    78     1.50462   112.65413    70.31007
   79    78 S   HC   _H11    79     1.08943   114.27349    63.88554
   80    78 S   CM   _C9_    80     1.34683   127.57527  -117.14387
   81    80 S   CT   _C27    81     1.50611   120.41790  -179.63363
   82    81 S   HC   _H38    82     1.09455   110.45416   120.82870
   83    81 S   HC   _H39    83     1.09513   112.34582     0.66881
   84    81 S   HC   _H40    84     1.09500   110.23399  -119.22599
   85    80 S   CT   _C8_    85     1.51136   124.40586     1.49174
   86    85 S   HC   _H9_    86     1.09725   108.82536   145.30632
   87    85 S   HC   _H10    87     1.09621   110.83302    30.34288
   88    85 S   CT   _C7_    88     1.53040   111.93819   -93.21490
   89    88 S   HC   _H7_    89     1.09768   109.96005    59.90864
   90    88 S   HC   _H8_    90     1.09511   110.74615   -56.24183
   91    88 S   CM   _C6_    91     1.50266   111.27390   179.41516
   92    91 S   HC   _H6_    92     1.08923   114.41534   -81.49106
   93    91 S   CM   _C5_    93     1.34654   127.30253    99.01348
   94    93 S   CT   _C4_    94     1.50529   120.61098   178.93210
   95    94 S   HC   _H3_    95     1.09490   110.25090   118.83454
   96    94 S   HC   _H4_    96     1.09507   112.40018    -1.31968
   97    94 S   HC   _H5_    97     1.09490   110.20581  -121.36408
   98    93 S   CT   _C28    98     1.50251   124.89328    -2.37191
   99    98 S   HC   _H41    99     1.09475   110.11860   114.47067
  100    98 S   HC   _H42   100     1.09254   113.41494    -6.64440
  101    98 S   HC   _H43   101     1.09544   110.05000  -126.16838
  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   6   5   4   3
   7   4   3   2   1   1  10   3  11   7   3   2   1   8   5   4
   7   4   3  10   3  11   7   3   2   1   8   5   4   7   4   3
  10   3  11   7   3   2   1   8   5   4   7   4   3  10   3  11
   7   3   2   1   8   5   4   7   4   3  10   3   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49  
   41    42    46  
   42    43    44    45    46    47    48    49    50    51    52  
   43    44    45    46    47    48    49  
   44    45    46  
   45    46  
   46  
   47    48    49    50    51    52    53    54  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    59  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    59    60    61    62  
   54    55    59  
   55    56    57    58    59    60    61    62    63    64    65  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    72  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72    73    74    75  
   67    68    72  
   68    69    70    71    72    73    74    75    76    77    78  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    85  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    84    85    86    87    88  
   80    81    85  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91    92    93    94    98  
   90    91    92    93  
   91    92    93  
   92    93    94    95    96    97    98    99   100   101  
   93    94    98  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   317.000  1.510
   41    46   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.510
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   317.000  1.510
   54    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   317.000  1.510
   67    72   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.510
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   317.000  1.510
   80    85   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   317.000  1.510
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   317.000  1.510
   93    98   317.000  1.510
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    70.00000  124.00000
   39    41    46    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  109.50000
   41    42    44    35.00000  109.50000
   41    42    45    35.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    70.00000  112.02700
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    41    42    65.00000  117.92700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    70.00000  112.02700
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    35.00000  117.00000
   49    52    54    70.00000  124.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    70.00000  124.00000
   52    54    59    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    54    55    65.00000  117.92700
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    35.00000  117.00000
   62    65    67    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    70.00000  124.00000
   65    67    72    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  109.50000
   67    68    70    35.00000  109.50000
   67    68    71    35.00000  109.50000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    65.00000  117.92700
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    70.00000  112.02700
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    35.00000  117.00000
   75    78    80    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    70.00000  124.00000
   78    80    85    70.00000  124.00000
   80    78    79    35.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    70.00000  112.02700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    80    81    65.00000  117.92700
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    70.00000  112.02700
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    91    92    35.00000  117.00000
   88    91    93    70.00000  124.00000
   90    88    89    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   91    93    94    70.00000  124.00000
   91    93    98    70.00000  124.00000
   93    91    92    35.00000  120.00000
   93    94    95    35.00000  109.50000
   93    94    96    35.00000  109.50000
   93    94    97    35.00000  109.50000
   93    98    99    35.00000  109.50000
   93    98   100    35.00000  109.50000
   93    98   101    35.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    93    94    65.00000  117.92700
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    46   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    43   0.00000  1.0 1.0
   39    41    42    44   0.00000  1.0 1.0
   39    41    42    45   0.00000  1.0 1.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    48   0.00000  1.0 1.0
   39    41    46    49   0.09850  1.0 1.0
   39    41    46    49   0.15250 -1.0 2.0
   39    41    46    49  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    46   7.00000 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.31000  1.0 1.0
   41    46    49    52   0.14700 -1.0 2.0
   41    46    49    52   0.07550  1.0 3.0
   42    41    46    47   0.34800  1.0 3.0
   42    41    46    48   0.34800  1.0 3.0
   42    41    46    49   0.46850  1.0 1.0
   42    41    46    49   0.08550 -1.0 2.0
   42    41    46    49   0.09800  1.0 3.0
   46    41    42    43   0.34800  1.0 3.0
   46    41    42    44   0.34800  1.0 3.0
   46    41    42    45   0.34800  1.0 3.0
   46    49    52    53   0.00000  1.0 1.0
   46    49    52    54   0.09850  1.0 1.0
   46    49    52    54   0.15250 -1.0 2.0
   46    49    52    54  -0.50650  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    54    55   7.00000 -1.0 2.0
   49    52    54    59   7.00000 -1.0 2.0
   50    49    52    53   0.33100  1.0 3.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.33100  1.0 3.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    55    56   0.00000  1.0 1.0
   52    54    55    57   0.00000  1.0 1.0
   52    54    55    58   0.00000  1.0 1.0
   52    54    59    60   0.00000  1.0 1.0
   52    54    59    61   0.00000  1.0 1.0
   52    54    59    62   0.09850  1.0 1.0
   52    54    59    62   0.15250 -1.0 2.0
   52    54    59    62  -0.50650  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    59   7.00000 -1.0 2.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59    62    65   0.31000  1.0 1.0
   54    59    62    65   0.14700 -1.0 2.0
   54    59    62    65   0.07550  1.0 3.0
   55    54    59    60   0.34800  1.0 3.0
   55    54    59    61   0.34800  1.0 3.0
   55    54    59    62   0.46850  1.0 1.0
   55    54    59    62   0.08550 -1.0 2.0
   55    54    59    62   0.09800  1.0 3.0
   59    54    55    56   0.34800  1.0 3.0
   59    54    55    57   0.34800  1.0 3.0
   59    54    55    58   0.34800  1.0 3.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    67   0.09850  1.0 1.0
   59    62    65    67   0.15250 -1.0 2.0
   59    62    65    67  -0.50650  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    67    68   7.00000 -1.0 2.0
   62    65    67    72   7.00000 -1.0 2.0
   63    62    65    66   0.33100  1.0 3.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.33100  1.0 3.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    68    69   0.00000  1.0 1.0
   65    67    68    70   0.00000  1.0 1.0
   65    67    68    71   0.00000  1.0 1.0
   65    67    72    73   0.00000  1.0 1.0
   65    67    72    74   0.00000  1.0 1.0
   65    67    72    75   0.09850  1.0 1.0
   65    67    72    75   0.15250 -1.0 2.0
   65    67    72    75  -0.50650  1.0 3.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    72   7.00000 -1.0 2.0
   67    72    75    76   0.15000  1.0 3.0
   67    72    75    77   0.15000  1.0 3.0
   67    72    75    78   0.31000  1.0 1.0
   67    72    75    78   0.14700 -1.0 2.0
   67    72    75    78   0.07550  1.0 3.0
   68    67    72    73   0.34800  1.0 3.0
   68    67    72    74   0.34800  1.0 3.0
   68    67    72    75   0.46850  1.0 1.0
   68    67    72    75   0.08550 -1.0 2.0
   68    67    72    75   0.09800  1.0 3.0
   72    67    68    69   0.34800  1.0 3.0
   72    67    68    70   0.34800  1.0 3.0
   72    67    68    71   0.34800  1.0 3.0
   72    75    78    79   0.00000  1.0 1.0
   72    75    78    80   0.09850  1.0 1.0
   72    75    78    80   0.15250 -1.0 2.0
   72    75    78    80  -0.50650  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    80    81   7.00000 -1.0 2.0
   75    78    80    85   7.00000 -1.0 2.0
   76    75    78    79   0.33100  1.0 3.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.33100  1.0 3.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    81    82   0.00000  1.0 1.0
   78    80    81    83   0.00000  1.0 1.0
   78    80    81    84   0.00000  1.0 1.0
   78    80    85    86   0.00000  1.0 1.0
   78    80    85    87   0.00000  1.0 1.0
   78    80    85    88   0.09850  1.0 1.0
   78    80    85    88   0.15250 -1.0 2.0
   78    80    85    88  -0.50650  1.0 3.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    85   7.00000 -1.0 2.0
   80    85    88    89   0.15000  1.0 3.0
   80    85    88    90   0.15000  1.0 3.0
   80    85    88    91   0.31000  1.0 1.0
   80    85    88    91   0.14700 -1.0 2.0
   80    85    88    91   0.07550  1.0 3.0
   81    80    85    86   0.34800  1.0 3.0
   81    80    85    87   0.34800  1.0 3.0
   81    80    85    88   0.46850  1.0 1.0
   81    80    85    88   0.08550 -1.0 2.0
   81    80    85    88   0.09800  1.0 3.0
   85    80    81    82   0.34800  1.0 3.0
   85    80    81    83   0.34800  1.0 3.0
   85    80    81    84   0.34800  1.0 3.0
   85    88    91    92   0.00000  1.0 1.0
   85    88    91    93   0.09850  1.0 1.0
   85    88    91    93   0.15250 -1.0 2.0
   85    88    91    93  -0.50650  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   0.15000  1.0 3.0
   88    91    93    94   7.00000 -1.0 2.0
   88    91    93    98   7.00000 -1.0 2.0
   89    88    91    92   0.33100  1.0 3.0
   89    88    91    93   0.00000  1.0 1.0
   90    88    91    92   0.33100  1.0 3.0
   90    88    91    93   0.00000  1.0 1.0
   91    93    94    95   0.00000  1.0 1.0
   91    93    94    96   0.00000  1.0 1.0
   91    93    94    97   0.00000  1.0 1.0
   91    93    98    99   0.00000  1.0 1.0
   91    93    98   100   0.00000  1.0 1.0
   91    93    98   101   0.00000  1.0 1.0
   92    91    93    94   7.00000 -1.0 2.0
   92    91    93    98   7.00000 -1.0 2.0
   94    93    98    99   0.34800  1.0 3.0
   94    93    98   100   0.34800  1.0 3.0
   94    93    98   101   0.34800  1.0 3.0
   98    93    94    95   0.34800  1.0 3.0
   98    93    94    96   0.34800  1.0 3.0
   98    93    94    97   0.34800  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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    46    41    39  15.00000 -1.0 2.0
   49    53    52    54  15.00000 -1.0 2.0
   55    59    54    52  15.00000 -1.0 2.0
   62    66    65    67  15.00000 -1.0 2.0
   68    72    67    65  15.00000 -1.0 2.0
   75    79    78    80  15.00000 -1.0 2.0
   81    85    80    78  15.00000 -1.0 2.0
   88    92    91    93  15.00000 -1.0 2.0
   94    98    93    91  15.00000 -1.0 2.0
END
