* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    156    228     460
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033   104.60252   -33.81316
    3     1 S   H    _H1_     3     1.02061    68.09173    70.80853
    4     1 S   H    _H2_     4     1.02104    44.82863  -135.81228
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   OS   _O21    36     1.66371    98.56511  -179.98022
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C19    37     1.42677   113.85743   -80.02995
   38    37 S   HC   _H51    38     1.09648   107.60399    41.58790
   39    37 S   CT   _C12    39     1.53813   108.54275   160.00517
   40    39 S   HC   _H39    40     1.09557   110.57340    42.30198
   41    39 S   HC   _H40    41     1.09512   109.77386   163.77711
   42    37 S   CT   _C18    46     1.55944   110.00584   -76.68658
   43    42 S   HC   _H50    47     1.09573   105.39387    58.93110
   44    39 S   C    _C6_    42     1.51581   112.37232   -77.23234
   45    44 S   O    _O19    43     1.22265   125.61640     1.64235
   46    42 S   CT   _C14    48     1.54970   110.48404   -55.32046
   47    46 S   HC   _H43    49     1.09358   109.84931    50.13951
   48    46 S   HC   _H44    50     1.09792   108.47659   -64.08754
   49    42 S   CT   _C16    55     1.55442   111.81243   176.17387
   50    49 S   HC   _H47    56     1.09800   106.51147    66.40571
   51    49 S   HC   _H48    57     1.10012   108.82222   178.58861
   52    44 S   OH   _O20    44     1.35975   111.34547  -178.90104
   53    52 S   HO   _H52    45     0.98088   114.93051  -179.48909
   54    46 S   CT   _C9_    51     1.52190   116.63716   173.83954
   55    54 S   HC   _H31    52     1.09281   111.64845    55.50697
   56    54 S   HC   _H32    53     1.09490   109.64992   173.91827
   57    54 S   HC   _H33    54     1.09348   112.12865   -66.80485
   58    49 S   CT   _C20    58     1.56396   120.55482   -53.85948
   59    58 S   OM   _O18    59     1.31773   110.96843    75.25096
   60    58 S   CT   _C10    60     1.55654   106.24861   -39.31115
   61    60 S   HC   _H34    61     1.09814   112.14530    58.17678
   62    60 S   HC   _H35    62     1.09753   110.74366   -61.59365
   63    60 S   HC   _H36    63     1.09927   112.20983   178.81816
   64    58 S   CT   _C15    64     1.56246   113.69028  -156.88360
   65    64 S   HC   _H45    65     1.09951   106.60768    77.07032
   66    64 S   HC   _H46    66     1.10179   108.99032  -170.88928
   67    64 S   CT   _C17    67     1.55705   120.37026   -46.89274
   68    67 S   HC   _H49    68     1.09203   109.81752    64.44833
   69    67 S   CM   _C5_    69     1.51417   111.36757   -56.98678
   70    69 S   HC   _H24    70     1.08733   116.98573   -59.22045
   71    67 S   CT   _C13    80     1.54738   109.07898  -178.37274
   72    71 S   HC   _H41    81     1.09768   109.06355   -58.70242
   73    71 S   HC   _H42    82     1.09739   110.37650    58.19020
   74    69 S   CM   _C4_    71     1.34203   123.80385   121.65009
   75    74 S   HC   _H23    72     1.08740   119.44637    -0.58684
   76    71 S   CT   _C8_    83     1.52451   113.60600  -178.88337
   77    76 S   HC   _H28    84     1.09452   109.98943   -59.07070
   78    76 S   HC   _H29    85     1.09459   110.98996  -178.50524
   79    76 S   HC   _H30    86     1.09442   111.65818    60.27088
   80    74 S   CT   _C11    73     1.49989   123.76967   179.76930
   81    80 S   HC   _H37    74     1.09560   108.73616   -30.67048
   82    80 S   HC   _H38    75     1.09602   111.09250  -148.04383
   83    80 S   CT   _C7_    76     1.52092   111.28396    90.03152
   84    83 S   HC   _H25    77     1.09499   111.12975    59.80302
   85    83 S   HC   _H26    78     1.09563   111.25649   -60.84278
   86    83 S   HC   _H27    79     1.09445   110.18413   179.47773
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  17   8  10   5   4  16   8   3   2  10   6   5
  13   5   4   1   1   3   2   1   1  12   8   7   3   2   1  11
   5   4  13   7  11   4   7   5   4   8   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    44    42    43    46    49  
   35    36  
   36  
    0  
   38    39    40    41    44    45    52    42    43    46    47    48    54    49    50    51    58  
   39    40    41    44    42    43    46    49  
   40    41    44    45    52    53    42    43    46    49  
   41    44    45    52    42  
   44    45    52    42  
   43    46    47    48    54    55    56    57    49    50    51    58    59    60    64    44  
   46    47    48    54    49    50    51    58  
   45    52    53  
   52    53  
   47    48    54    55    56    57    49    50    51    58  
   48    54    55    56    57    49  
   54    55    56    57    49  
   50    51    58    59    60    61    62    63    64    65    66    67    54  
   51    58    59    60    64  
   58    59    60    64  
   53  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69    71  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    74    71    72    73    76  
   66    67    68    69    71  
   67    68    69    71  
   68    69    70    74    75    80    71    72    73    76    77    78    79  
   69    70    74    71    72    73    76  
   70    74    75    80    81    82    83    71    72    73    76  
   74    75    80    71  
   72    73    76    77    78    79    74  
   73    76    77    78    79  
   76    77    78    79  
   75    80    81    82    83    84    85    86  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.180000   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    42   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    52   450.000  1.364
   52    53   553.000  0.945
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   570.000  1.307
   58    60   268.000  1.529
   58    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    71   268.000  1.529
   69    70   340.000  1.080
   69    74   549.000  1.340
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    50.00000  109.50000
   33    37    42    50.00000  109.50000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    44    63.00000  111.10000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    49    58.35000  112.70000
   39    37    38    37.50000  110.70000
   39    44    45    80.00000  120.40000
   39    44    52    70.00000  108.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    52    53    35.00000  113.00000
   52    44    45   100.00000  123.32000
   42    37    38    37.50000  110.70000
   42    37    39    58.35000  112.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    54    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   46    42    43    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    57    37.50000  110.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    46    58.35000  112.70000
   49    58    59    50.00000  109.50000
   49    58    60    58.35000  112.70000
   49    58    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    58.35000  112.70000
   60    58    59    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    58    59    50.00000  109.50000
   64    58    60    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    70.00000  112.02700
   64    67    71    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    35.00000  117.00000
   67    69    74    70.00000  124.00000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    76    58.35000  112.70000
   69    67    68    35.00000  109.50000
   69    74    75    35.00000  120.00000
   69    74    80    70.00000  124.00000
   74    69    70    35.00000  120.00000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    70.00000  112.02700
   80    74    75    35.00000  117.00000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    70.00000  112.02700
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    42   0.37500  1.0 3.0
   33    37    39    40   0.23400  1.0 3.0
   33    37    39    41   0.23400  1.0 3.0
   33    37    39    44  -0.09450  1.0 1.0
   33    37    39    44  -1.12950 -1.0 2.0
   33    37    39    44   0.54000  1.0 3.0
   33    37    42    43   0.23400  1.0 3.0
   33    37    42    46   0.62750  1.0 1.0
   33    37    42    46  -0.30950 -1.0 2.0
   33    37    42    46   0.27300  1.0 3.0
   33    37    42    49   0.62750  1.0 1.0
   33    37    42    49  -0.30950 -1.0 2.0
   33    37    42    49   0.27300  1.0 3.0
   37    39    44    45   0.30150 -1.0 2.0
   37    39    44    52   0.50000  1.0 1.0
   37    39    44    52   0.27300 -1.0 2.0
   37    39    44    52   0.22500  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42    46    54   0.56750  1.0 1.0
   37    42    46    54  -0.07550 -1.0 2.0
   37    42    46    54   0.20000  1.0 3.0
   37    42    49    50   0.15000  1.0 3.0
   37    42    49    51   0.15000  1.0 3.0
   37    42    49    58   0.56750  1.0 1.0
   37    42    49    58  -0.07550 -1.0 2.0
   37    42    49    58   0.20000  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    44  -0.11250  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    49   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    46   0.56750  1.0 1.0
   39    37    42    46  -0.07550 -1.0 2.0
   39    37    42    46   0.20000  1.0 3.0
   39    37    42    49   0.56750  1.0 1.0
   39    37    42    49  -0.07550 -1.0 2.0
   39    37    42    49   0.20000  1.0 3.0
   39    44    52    53   1.50000  1.0 1.0
   39    44    52    53   2.45000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    52   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    52   0.00000  1.0 1.0
   45    44    52    53   0.92200  1.0 1.0
   45    44    52    53   3.74100 -1.0 2.0
   42    37    39    40   0.15000  1.0 3.0
   42    37    39    41   0.15000  1.0 3.0
   42    37    39    44  -0.95700  1.0 1.0
   42    37    39    44  -0.18200 -1.0 2.0
   42    37    39    44   0.29450  1.0 3.0
   42    46    54    55   0.15000  1.0 3.0
   42    46    54    56   0.15000  1.0 3.0
   42    46    54    57   0.15000  1.0 3.0
   42    49    58    59   0.62750  1.0 1.0
   42    49    58    59  -0.30950 -1.0 2.0
   42    49    58    59   0.27300  1.0 3.0
   42    49    58    60   0.56750  1.0 1.0
   42    49    58    60  -0.07550 -1.0 2.0
   42    49    58    60   0.20000  1.0 3.0
   42    49    58    64   0.56750  1.0 1.0
   42    49    58    64  -0.07550 -1.0 2.0
   42    49    58    64   0.20000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    54   0.15000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   46    42    49    50   0.15000  1.0 3.0
   46    42    49    51   0.15000  1.0 3.0
   46    42    49    58   0.56750  1.0 1.0
   46    42    49    58  -0.07550 -1.0 2.0
   46    42    49    58   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    57   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    57   0.15000  1.0 3.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42    46    54   0.56750  1.0 1.0
   49    42    46    54  -0.07550 -1.0 2.0
   49    42    46    54   0.20000  1.0 3.0
   49    58    60    61   0.15000  1.0 3.0
   49    58    60    62   0.15000  1.0 3.0
   49    58    60    63   0.15000  1.0 3.0
   49    58    64    65   0.15000  1.0 3.0
   49    58    64    66   0.15000  1.0 3.0
   49    58    64    67   0.56750  1.0 1.0
   49    58    64    67  -0.07550 -1.0 2.0
   49    58    64    67   0.20000  1.0 3.0
   50    49    58    59   0.23400  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    64   0.15000  1.0 3.0
   51    49    58    59   0.23400  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    64   0.15000  1.0 3.0
   58    64    67    68   0.15000  1.0 3.0
   58    64    67    69   0.34400  1.0 1.0
   58    64    67    69   0.09450 -1.0 2.0
   58    64    67    69   0.11100  1.0 3.0
   58    64    67    71   0.56750  1.0 1.0
   58    64    67    71  -0.07550 -1.0 2.0
   58    64    67    71   0.20000  1.0 3.0
   59    58    60    61   0.23400  1.0 3.0
   59    58    60    62   0.23400  1.0 3.0
   59    58    60    63   0.23400  1.0 3.0
   59    58    64    65   0.23400  1.0 3.0
   59    58    64    66   0.23400  1.0 3.0
   59    58    64    67   0.62750  1.0 1.0
   59    58    64    67  -0.30950 -1.0 2.0
   59    58    64    67   0.27300  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    67   0.56750  1.0 1.0
   60    58    64    67  -0.07550 -1.0 2.0
   60    58    64    67   0.20000  1.0 3.0
   64    58    60    61   0.15000  1.0 3.0
   64    58    60    62   0.15000  1.0 3.0
   64    58    60    63   0.15000  1.0 3.0
   64    67    69    70   0.00000  1.0 1.0
   64    67    69    74   0.09850  1.0 1.0
   64    67    69    74   0.15250 -1.0 2.0
   64    67    69    74  -0.50650  1.0 3.0
   64    67    71    72   0.15000  1.0 3.0
   64    67    71    73   0.15000  1.0 3.0
   64    67    71    76   0.56750  1.0 1.0
   64    67    71    76  -0.07550 -1.0 2.0
   64    67    71    76   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    71   0.15000  1.0 3.0
   67    69    74    75   7.00000 -1.0 2.0
   67    69    74    80   7.00000 -1.0 2.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79   0.15000  1.0 3.0
   68    67    69    70   0.33100  1.0 3.0
   68    67    69    74   0.00000  1.0 1.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    76   0.34400  1.0 1.0
   69    67    71    76   0.09450 -1.0 2.0
   69    67    71    76   0.11100  1.0 3.0
   69    74    80    81   0.00000  1.0 1.0
   69    74    80    82   0.00000  1.0 1.0
   69    74    80    83   0.09850  1.0 1.0
   69    74    80    83   0.15250 -1.0 2.0
   69    74    80    83  -0.50650  1.0 3.0
   70    69    74    75   7.00000 -1.0 2.0
   70    69    74    80   7.00000 -1.0 2.0
   74    80    83    84   0.15000  1.0 3.0
   74    80    83    85   0.15000  1.0 3.0
   74    80    83    86   0.15000  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.33100  1.0 3.0
   75    74    80    83   0.00000  1.0 1.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   71    67    69    70   0.00000  1.0 1.0
   71    67    69    74   0.09850  1.0 1.0
   71    67    69    74   0.15250 -1.0 2.0
   71    67    69    74  -0.50650  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    79   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   39    52    44    45  10.50000 -1.0 2.0
   67    70    69    74  15.00000 -1.0 2.0
   80    75    74    69  15.00000 -1.0 2.0
END
