* LIGAND DATABASE FILE (OPLS2005)
*
001      96    95    171    243     495
    1     0 S   NP   _N1_     1    28.92411    99.66050   -23.58260
    2     1 S   H    _HN1     2     1.02836    48.33572   158.35553
    3     1 S   H    _H1_     3     1.02777   114.49360  -108.98938
    4     1 S   H    _H2_     4     1.02957    59.34387   -11.42184
    5     1 S   CT   _CA1     5     1.50146   132.89815    78.70912
    6     5 S   HC   _HA1     6     1.09575   105.19912   111.02549
    7     5 S   CO3  _C1_     7     1.53781   112.28318    -9.13633
    8     7 S   O2Z  _O11     8     1.26370   114.99307   -45.10510
    9     7 S   O2Z  _O12     9     1.26228   114.92913   133.83101
   10     5 S   CT   _CB1    10     1.53081   107.40246  -131.09993
   11    10 S   HC   HB11    11     1.09831   109.32428   -50.28547
   12    10 S   HC   HB12    12     1.09814   110.44621    66.26482
   13    10 S   CT   _CG1    13     1.53029   112.67924  -171.32414
   14    13 S   HC   HG11    14     1.09592   110.52682   -64.79067
   15    13 S   HC   HG12    15     1.09658   109.89450    54.42369
   16    13 S   C    _CD1    16     1.51850   112.22613   174.78819
   17    16 S   O    _OE1    17     1.22768   123.25782     2.31232
   18    16 S   N    _N2_    18     1.38530   111.78955  -177.71861
   19    18 S   H    _HN2    19     1.01573   119.19819     3.57040
   20    18 S   CT1  _CA2    20     1.45833   122.83436   178.07288
   21    20 S   HC   _HA2    21     1.09733   108.84333    26.45028
   22    20 S   C    _C2_    22     1.52955   107.05120   -90.64615
   23    22 S   O    _O2_    23     1.22991   123.05834   -27.40920
   24    20 S   CT   _CB2    32     1.53250   112.26301   149.64138
   25    24 S   HC   HB21    33     1.09522   109.85402    55.36267
   26    24 S   HC   HB22    34     1.09400   109.49615   174.02020
   27    22 S   N    _N3_    24     1.38524   112.62265   155.24804
   28    27 S   H    _HN3    25     1.01666   120.36060    -2.21964
   29    24 S   S    _SG2    35     1.83113   110.82160   -66.18216
   30    27 S   CT   _CA3    26     1.45348   122.36837   178.62769
   31    30 S   HC   HA31    27     1.09576   107.65274   -56.98118
   32    30 S   HC   HA32    28     1.09557   107.74105    59.30576
   33    29 S   CT   _C22    36     1.86888   102.03990   170.87585
   34    33 S   OM   _O41    37     1.32055   108.19836   -67.91533
   35    30 S   CO3  _C3_    29     1.52854   114.38249  -179.05333
   36    35 S   O2Z  _O31    30     1.26316   116.06337    -8.55614
   37    35 S   O2Z  _O32    31     1.26440   114.41493   171.48980
   38    33 S   CT   _C21    38     1.55397   104.96591   175.93239
   39    38 S   HC   _H23    39     1.10099   110.95988    59.99807
   40    38 S   HC   _H24    40     1.09918   109.17704   -57.43136
   41    33 S   CT   _C23    87     1.54964   112.52694    52.68032
   42    41 S   HC   _H25    88     1.09873   111.60994   -60.06900
   43    41 S   HC   _H26    89     1.09901   110.99344  -174.60842
   44    38 S   CO4  _C20    41     1.53470   118.06210  -178.08552
   45    44 S   O    _O39    42     1.22939   123.69216   -12.75519
   46    41 S   CO4  _C24    90     1.52156   114.98098    61.31967
   47    46 S   O    _O40    91     1.22514   123.38622   -72.44401
   48    44 S   CT   _C19    43     1.51550   115.14216   168.54563
   49    48 S   HC   _H21    44     1.09538   108.32164    59.44158
   50    48 S   HC   _H22    45     1.09474   109.41050   -58.19869
   51    46 S   S    _S1_    92     1.76598   114.56766   108.39934
   52    48 S   CO4  _C18    46     1.51161   114.26561  -179.83449
   53    52 S   O    _O38    47     1.23158   120.92056  -104.84883
   54    51 S   CT   _C25    93     1.80502   100.41148  -179.54630
   55    54 S   HC   _H27    94     1.09322   109.25299  -178.64781
   56    54 S   HC   _H28    95     1.09333   110.41703    62.04947
   57    54 S   HC   _H29    96     1.09315   110.67738   -59.20888
   58    52 S   CT   _C17    48     1.52180   116.94150    76.96396
   59    58 S   HC   _H19    49     1.09442   107.93935   -34.67048
   60    58 S   HC   _H20    50     1.09469   106.72088    82.37072
   61    58 S   CT   _C16    51     1.53078   111.78908  -155.07084
   62    61 S   HC   _H3_    52     1.09722   109.67324    41.57755
   63    61 S   CT   _C15    53     1.53005   113.25442   161.53147
   64    63 S   HC   _H17    54     1.09590   109.05106   -62.68634
   65    63 S   HC   _H18    55     1.09663   109.25283   179.08016
   66    61 S   OH   _O42    85     1.42596   110.56898   -75.82920
   67    66 S   HO   _H30    86     0.97369   107.24621    57.94655
   68    63 S   CO4  _C14    56     1.52416   115.65338    59.24809
   69    68 S   O    _O37    57     1.22982   123.33683    11.91859
   70    68 S   CT   _C13    58     1.51308   116.09895  -168.37792
   71    70 S   HC   _H15    59     1.09492   108.31119   -40.40286
   72    70 S   HC   _H16    60     1.09516   108.59836  -157.33281
   73    70 S   CO4  _C12    61     1.51175   113.93237    81.65522
   74    73 S   O    _O36    62     1.22977   121.81926    11.62246
   75    73 S   CT   _C11    63     1.51236   116.01218  -169.22521
   76    75 S   HC   _H13    64     1.09481   109.23797    58.88803
   77    75 S   HC   _H14    65     1.09558   108.01085   -58.62774
   78    75 S   CO4  _C10    66     1.51166   114.84339  -179.46368
   79    78 S   O    _O35    67     1.23161   120.76889   114.50475
   80    78 S   CT   _C9_    68     1.51430   117.49284   -68.11306
   81    80 S   HC   _H11    69     1.09479   109.42089    12.11593
   82    80 S   HC   _H12    70     1.09497   107.28248  -105.08802
   83    80 S   CO4  _C8_    71     1.51615   115.11014   133.31100
   84    83 S   O    _O34    72     1.22873   121.79622    -5.98753
   85    83 S   CT   _C7_    73     1.51671   115.26814   176.05807
   86    85 S   HC   _H9_    74     1.09523   108.03844   -54.16431
   87    85 S   HC   _H10    75     1.09554   106.93973    63.30236
   88    85 S   CO4  _C6_    76     1.51676   117.43488  -175.39849
   89    88 S   O    _O33    77     1.22903   122.83111    13.78352
   90    88 S   CT   _C5_    78     1.52108   115.26510  -168.82645
   91    90 S   HC   _H7_    79     1.09439   108.28929    53.10343
   92    90 S   HC   _H8_    80     1.09498   108.04505   -64.23878
   93    90 S   CT   _C4_    81     1.51749   112.93397   174.21358
   94    93 S   HC   _H4_    82     1.09492   111.07675    61.37610
   95    93 S   HC   _H5_    83     1.09459   111.17271   -58.67234
   96    93 S   HC   _H6_    84     1.09412   110.25339  -178.70246
  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
  13   8   2   1   1  12   5   4   7   4   3   7   4   6   2   8
   4   3   4   8   4   3   2   1   1  10   5   4   9   6  10   5
   4   2   1   7   4   8   4   3   7   4   8   4   3   7   4   8
   4   3   7   4   8   4   3   8   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    51    54    44  
   43    46    47    51  
   46    47    51  
   45    48    49    50    52    53    58  
   48    49    50    52  
   47    51    54    55    56    57  
   51    54  
   49    50    52    53    58    59    60    61  
   50    52    53    58  
   52    53    58  
   54    55    56    57  
   53    58    59    60    61    62    63    66  
   58    59    60    61  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    68    66    67  
   60    61    62    63    66  
   61    62    63    66  
   62    63    64    65    68    69    70    66    67  
   63    64    65    68    66    67  
   64    65    68    69    70    71    72    73    66    67  
   65    68    69    70    66  
   68    69    70    66  
   67    68  
    0  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    84    85  
   80    81    82    83  
   81    82    83    84    85    86    87    88  
   82    83    84    85  
   83    84    85  
   84    85    86    87    88    89    90  
   85    86    87    88  
   86    87    88    89    90    91    92    93  
   87    88    89    90  
   88    89    90  
   89    90    91    92    93    94    95    96  
   90    91    92    93  
   91    92    93    94    95    96  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96  
   95    96  
   96  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.012500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   570.000  1.229
   52    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   317.000  1.522
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   317.000  1.522
   83    84   570.000  1.229
   83    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   570.000  1.229
   88    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   66    67   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    51   210.000  1.799
   51    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    75.00000  107.99600
   48    44    45    80.00000  120.40000
   48    52    53    80.00000  120.40000
   48    52    58    70.00000  116.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    63.00000  111.10000
   58    52    53    80.00000  120.40000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    66    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    63.00000  111.10000
   61    66    67    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    68    69    80.00000  120.40000
   63    68    70    70.00000  116.00000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    75.00000  107.99600
   70    68    69    80.00000  120.40000
   70    73    74    80.00000  120.40000
   70    73    75    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    75.00000  107.99600
   75    73    74    80.00000  120.40000
   75    78    79    80.00000  120.40000
   75    78    80    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    75.00000  107.99600
   80    78    79    80.00000  120.40000
   80    83    84    80.00000  120.40000
   80    83    85    70.00000  116.00000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   83    85    86    35.00000  109.50000
   83    85    87    35.00000  109.50000
   83    85    88    75.00000  107.99600
   85    83    84    80.00000  120.40000
   85    88    89    80.00000  120.40000
   85    88    90    70.00000  116.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   88    90    91    35.00000  109.50000
   88    90    92    35.00000  109.50000
   88    90    93    63.00000  111.10000
   90    88    89    80.00000  120.40000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    50.00000  109.50000
   41    33    34    50.00000  109.50000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    51    70.00000  114.16300
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    51    54    90.00000   96.72000
   51    46    47    80.00000  121.30200
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   0.60050  1.0 1.0
   33    38    44    48   0.05600 -1.0 2.0
   33    38    44    48   0.26150  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    51   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    44  -0.09450  1.0 1.0
   34    33    38    44  -1.12950 -1.0 2.0
   34    33    38    44   0.54000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    46  -0.09450  1.0 1.0
   34    33    41    46  -1.12950 -1.0 2.0
   34    33    41    46   0.54000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    44    48    49   0.00000  1.0 1.0
   38    44    48    50   0.00000  1.0 1.0
   38    44    48    52   0.65300  1.0 1.0
   38    44    48    52  -0.03850 -1.0 2.0
   38    44    48    52   0.33900  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    53   0.30150 -1.0 2.0
   44    48    52    58   0.65300  1.0 1.0
   44    48    52    58  -0.03850 -1.0 2.0
   44    48    52    58   0.33900  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    58    59   0.00000  1.0 1.0
   48    52    58    60   0.00000  1.0 1.0
   48    52    58    61   0.60050  1.0 1.0
   48    52    58    61   0.05600 -1.0 2.0
   48    52    58    61   0.26150  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    58   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    58   0.00000  1.0 1.0
   52    58    61    62  -0.11250  1.0 3.0
   52    58    61    63  -0.95700  1.0 1.0
   52    58    61    63  -0.18200 -1.0 2.0
   52    58    61    63   0.29450  1.0 3.0
   52    58    61    66  -0.09450  1.0 1.0
   52    58    61    66  -1.12950 -1.0 2.0
   52    58    61    66   0.54000  1.0 3.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.30150 -1.0 2.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.15000  1.0 3.0
   58    61    63    68  -0.95700  1.0 1.0
   58    61    63    68  -0.18200 -1.0 2.0
   58    61    63    68   0.29450  1.0 3.0
   58    61    66    67  -0.11600  1.0 1.0
   58    61    66    67  -0.09450 -1.0 2.0
   58    61    66    67   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    66   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    66   0.23400  1.0 3.0
   61    63    68    69   0.30150 -1.0 2.0
   61    63    68    70   0.60050  1.0 1.0
   61    63    68    70   0.05600 -1.0 2.0
   61    63    68    70   0.26150  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    68  -0.11250  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   63    61    66    67  -0.11600  1.0 1.0
   63    61    66    67  -0.09450 -1.0 2.0
   63    61    66    67   0.21250  1.0 3.0
   63    68    70    71   0.00000  1.0 1.0
   63    68    70    72   0.00000  1.0 1.0
   63    68    70    73   0.65300  1.0 1.0
   63    68    70    73  -0.03850 -1.0 2.0
   63    68    70    73   0.33900  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    70   0.00000  1.0 1.0
   68    70    73    74   0.30150 -1.0 2.0
   68    70    73    75   0.65300  1.0 1.0
   68    70    73    75  -0.03850 -1.0 2.0
   68    70    73    75   0.33900  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.30150 -1.0 2.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.65300  1.0 1.0
   70    73    75    78  -0.03850 -1.0 2.0
   70    73    75    78   0.33900  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    75   0.00000  1.0 1.0
   73    75    78    79   0.30150 -1.0 2.0
   73    75    78    80   0.65300  1.0 1.0
   73    75    78    80  -0.03850 -1.0 2.0
   73    75    78    80   0.33900  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.30150 -1.0 2.0
   75    78    80    81   0.00000  1.0 1.0
   75    78    80    82   0.00000  1.0 1.0
   75    78    80    83   0.65300  1.0 1.0
   75    78    80    83  -0.03850 -1.0 2.0
   75    78    80    83   0.33900  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    83    84   0.30150 -1.0 2.0
   78    80    83    85   0.65300  1.0 1.0
   78    80    83    85  -0.03850 -1.0 2.0
   78    80    83    85   0.33900  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    83   0.30150 -1.0 2.0
   80    83    85    86   0.00000  1.0 1.0
   80    83    85    87   0.00000  1.0 1.0
   80    83    85    88   0.65300  1.0 1.0
   80    83    85    88  -0.03850 -1.0 2.0
   80    83    85    88   0.33900  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   82    80    83    85   0.00000  1.0 1.0
   83    85    88    89   0.30150 -1.0 2.0
   83    85    88    90   0.65300  1.0 1.0
   83    85    88    90  -0.03850 -1.0 2.0
   83    85    88    90   0.33900  1.0 3.0
   84    83    85    86   0.00000  1.0 1.0
   84    83    85    87   0.00000  1.0 1.0
   84    83    85    88   0.30150 -1.0 2.0
   85    88    90    91   0.00000  1.0 1.0
   85    88    90    92   0.00000  1.0 1.0
   85    88    90    93   0.60050  1.0 1.0
   85    88    90    93   0.05600 -1.0 2.0
   85    88    90    93   0.26150  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   88    90    93    94  -0.11250  1.0 3.0
   88    90    93    95  -0.11250  1.0 3.0
   88    90    93    96  -0.11250  1.0 3.0
   89    88    90    91   0.00000  1.0 1.0
   89    88    90    92   0.00000  1.0 1.0
   89    88    90    93   0.30150 -1.0 2.0
   91    90    93    94   0.15000  1.0 3.0
   91    90    93    95   0.15000  1.0 3.0
   91    90    93    96   0.15000  1.0 3.0
   92    90    93    94   0.15000  1.0 3.0
   92    90    93    95   0.15000  1.0 3.0
   92    90    93    96   0.15000  1.0 3.0
   66    61    63    64   0.23400  1.0 3.0
   66    61    63    65   0.23400  1.0 3.0
   66    61    63    68  -0.09450  1.0 1.0
   66    61    63    68  -1.12950 -1.0 2.0
   66    61    63    68   0.54000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    54  -0.11550  1.0 1.0
   41    46    51    54   1.88700 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.00000  1.0 1.0
   46    51    54    55   0.24000  1.0 3.0
   46    51    54    56   0.24000  1.0 3.0
   46    51    54    57   0.24000  1.0 3.0
   47    46    51    54  -0.11550  1.0 1.0
   47    46    51    54   1.88700 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    48    44    45  10.50000 -1.0 2.0
   48    58    52    53  10.50000 -1.0 2.0
   63    70    68    69  10.50000 -1.0 2.0
   70    75    73    74  10.50000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   80    85    83    84  10.50000 -1.0 2.0
   85    90    88    89  10.50000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
END
