* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    244     455
    1     0 S   NP   _N1_     1    28.50594    97.12624   -21.16653
    2     1 S   H    _HN1     2     1.02954    74.48789   -10.39379
    3     1 S   H    _H1_     3     1.02834    39.85230   133.49947
    4     1 S   H    _H2_     4     1.02775    97.47445  -117.43844
    5     1 S   CT   _CA1     5     1.50098   145.35878    93.13094
    6     5 S   HC   _HA1     6     1.09580   105.22325    85.48914
    7     5 S   CO3  _C1_     7     1.53741   112.37331   -34.66820
    8     7 S   O2Z  _O11     8     1.26337   115.03565   -44.47560
    9     7 S   O2Z  _O12     9     1.26253   114.91527   134.59517
   10     5 S   CT   _CB1    10     1.53078   107.43566  -156.63089
   11    10 S   HC   HB11    11     1.09821   109.29683   -51.07151
   12    10 S   HC   HB12    12     1.09811   110.49751    65.52131
   13    10 S   CT   _CG1    13     1.52935   112.55791  -172.15162
   14    13 S   HC   HG11    14     1.09625   110.48882   -64.87622
   15    13 S   HC   HG12    15     1.09666   109.90142    54.20617
   16    13 S   C    _CD1    16     1.51861   112.42324   174.49192
   17    16 S   O    _OE1    17     1.22722   123.47623    -1.34523
   18    16 S   N    _N2_    18     1.38369   111.44259   178.84191
   19    18 S   H    _HN2    19     1.01774   118.67915     3.35486
   20    18 S   CT1  _CA2    20     1.45767   123.53492   177.96337
   21    20 S   HC   _HA2    21     1.09696   108.93224    24.82754
   22    20 S   C    _C2_    22     1.52847   106.90442   -92.79633
   23    22 S   O    _O2_    23     1.23011   122.99489   -28.63645
   24    20 S   CT   _CB2    32     1.53163   112.00736   148.11221
   25    24 S   HC   HB21    33     1.09594   109.74195    58.14178
   26    24 S   HC   HB22    34     1.09508   110.57146   177.03060
   27    22 S   N    _N3_    24     1.38464   112.54987   154.50876
   28    27 S   H    _HN3    25     1.01653   120.35383    -2.46783
   29    24 S   S    _SG2    35     1.82290   110.98007   -62.35449
   30    27 S   CT   _CA3    26     1.45346   122.49126   178.34613
   31    30 S   HC   HA31    27     1.09569   107.83454   -54.97952
   32    30 S   HC   HA32    28     1.09560   107.59526    61.36170
   33    29 S   CT   _C10    36     1.84310    99.40994   169.00590
   34    33 S   HC   _H3_    37     1.09581   106.45961   -29.76810
   35    30 S   CO3  _C3_    29     1.52889   114.30894  -176.93127
   36    35 S   O2Z  _O31    30     1.26335   116.05663    -1.13969
   37    35 S   O2Z  _O32    31     1.26433   114.40815   178.82530
   38    33 S   CA   _C9_    38     1.51717   111.48406    88.85657
   39    33 S   CM   _C11    50     1.51029   107.61642  -146.16385
   40    39 S   HC   _H13    51     1.09033   116.31268   -54.33103
   41    38 S   CA   _C4_    39     1.40501   119.49902  -114.15493
   42    41 S   HA   _H9_    40     1.08758   120.33776    -0.36208
   43    39 S   CMA  _C12    52     1.35325   125.17160   123.12847
   44    43 S   OM   _O42    53     1.26440   132.20569     3.26087
   45    41 S   CA   _C5_    41     1.39599   120.82369   179.73312
   46    45 S   HA   _H10    42     1.08610   119.82652   179.95577
   47    43 S   CM   _C13    54     1.50224   116.48197  -175.24713
   48    45 S   CA   _C6_    43     1.39063   119.63214     0.05595
   49    47 S   CM   _C14    55     1.36582   116.48041    80.17441
   50    48 S   CA   _C7_    44     1.39178   120.70282    -0.01978
   51    50 S   HA   _H11    45     1.08588   121.03126   179.95577
   52    48 S   OH   _O43    48     1.36629   118.23166   179.97202
   53    52 S   HO   _H21    49     0.97232   108.46939  -179.28948
   54    49 S   CO4  _C15    56     1.48102   119.96840  -175.94426
   55    54 S   O    _O33    57     1.22206   123.84755   164.98723
   56    49 S   OS1  _O36    64     1.38808   124.40340    -2.39367
   57    38 S   CA   _C8_    46     1.40588   122.04459    65.61534
   58    57 S   HA   _H12    47     1.08742   120.46184     0.19782
   59    54 S   CO4  _C16    58     1.49276   117.76114   -14.92536
   60    59 S   O    _O35    59     1.22083   119.82551  -161.35674
   61    56 S   CO1  _C19    65     1.44032   113.30249    85.50047
   62    61 S   HC   _H4_    66     1.09972   110.58531    -1.14227
   63    59 S   CM   _C17    60     1.46378   116.94241    20.43742
   64    63 S   HC   _H14    61     1.08580   116.57556   167.45712
   65    61 S   CT   _C20    67     1.53805   109.12374   119.82029
   66    65 S   HC   _H5_    68     1.09627   109.92061    51.11759
   67    47 S   CMA  _C18    62     1.51504   123.20880   -95.55662
   68    67 S   OM   _O34    63     1.26299   113.00076     5.11692
   69    65 S   CT   _C21    69     1.53396   111.17774   173.29533
   70    69 S   HC   _H6_    70     1.09689   109.97679    73.67059
   71    65 S   OH5  _O41    85     1.42787   110.56125   -66.12486
   72    71 S   HO   _H20    86     0.97191   108.33940   -57.32010
   73    69 S   CT   _C22    71     1.53197   111.76633   -48.79547
   74    73 S   HC   _H7_    72     1.09635   108.78772   -72.00930
   75    69 S   OH5  _O40    83     1.42924   109.85717  -170.72057
   76    75 S   HO   _H19    84     0.97684   108.04048    59.00895
   77    73 S   CT   _C23    73     1.53241   110.17642    49.53433
   78    77 S   HC   _H8_    74     1.09850   110.32270    62.73527
   79    73 S   OH5  _O39    81     1.42666   109.82646   171.04621
   80    79 S   HO   _H18    82     0.97225   108.10143   -56.97197
   81    61 S   OS1  _O37    75     1.43584   109.08758  -121.44292
   82    77 S   CT   _C24    76     1.53129   113.31767  -177.80180
   83    82 S   HC   _H15    77     1.09461   110.53422   -68.50102
   84    82 S   HC   _H16    78     1.09492   110.35094   170.85729
   85    82 S   OH5  _O38    79     1.42172   111.05838    51.46894
   86    85 S   HO   _H17    80     0.97385   107.07396  -177.89736
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   8   3   7   3  10   6
  12   5   3   2   1   8   4  10   1   1   5   3  13   6   3   2
  12   7   1   1  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    51    57    58    39    40    43  
   40    43    44    47    49    67    41    57  
   43    44    47  
   42    45    46    48    50    57    58    52  
   45    46    48    57  
   44    47    49    54    63    67    68    56  
   47    49    67  
   46    48    50    51    57    52    53  
   48    50    52  
   49    54    55    59    63    64    67    68    56    61  
   50    51    57    58    52    53  
   54    55    59    60    63    67    68    56    61    62    65    81  
   51    57    58    52    53  
   57    58    52  
   53    57  
    0  
   55    59    60    63    64    67    56    61  
   59    60    63    56  
   61    62    65    66    69    77    81    71    59    67  
   58  
    0  
   60    63    64    67    68  
   63    64    67  
   62    65    66    69    70    73    77    78    81    82    75    71    72  
   65    66    69    77    81    71  
   64    67    68  
   67    68  
   66    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   68  
    0  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   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  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760  -1.202400   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    52   450.000  1.364
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   465.000  1.376
   47    49   549.000  1.340
   47    67   465.000  1.376
   49    54   320.000  1.462
   49    56   440.000  1.360
   54    55   570.000  1.229
   54    59   250.000  1.523
   59    60   570.000  1.229
   59    63   320.000  1.462
   63    64   340.000  1.080
   63    67   465.000  1.376
   67    68   745.000  1.250
   56    61   370.000  1.399
   61    62   360.000  1.097
   61    65   255.000  1.525
   61    81   370.000  1.399
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    50    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    57    63.00000  120.00000
   48    52    53    35.00000  113.00000
   50    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    50    51    35.00000  120.00000
   52    48    50    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    70.00000  123.01800
   43    39    40    40.00000  120.50800
   43    47    49    70.00000  117.34000
   43    47    67    70.00000  117.34000
   47    43    44    65.00000  137.10300
   47    49    54    65.00000  118.96000
   47    49    56    80.00000  120.01400
   47    67    63    70.00000  123.01800
   47    67    68    65.00000  137.10300
   49    54    55    80.00000  123.72100
   49    54    59    65.00000  116.00000
   49    56    61    90.00000  111.18400
   54    59    60    80.00000  119.30300
   54    59    63    65.00000  116.00000
   59    54    55    80.00000  119.30300
   59    63    64    40.00000  117.72500
   59    63    67    60.00000  125.92000
   63    59    60    80.00000  123.72100
   63    67    68    65.00000  137.10300
   67    47    49    70.00000  117.34000
   67    63    64    40.00000  120.50800
   56    49    54    85.00000  116.28000
   56    61    62    60.00000  105.75400
   56    61    65    90.00000  109.70700
   56    61    81   110.00000  113.16000
   61    65    66    45.00000  109.54000
   61    65    69    70.00000  111.10000
   61    65    71    90.00000  109.42000
   61    81    77    90.00000  112.10700
   65    61    62    45.00000  111.65000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    61    62    60.00000  105.75400
   81    61    65    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    50   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    50   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    57   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    50   -57    38   3.62500 -1.0 2.0
   48    50    57    58   3.62500 -1.0 2.0
   50    48    52    53   0.84100 -1.0 2.0
   51    50    57    38   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49   7.00000 -1.0 2.0
   39    43    47    67   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    54   7.00000 -1.0 2.0
   43    47    49    56   7.00000 -1.0 2.0
   43    47    67    63   7.00000 -1.0 2.0
   43    47    67    68   7.00000 -1.0 2.0
   44    43    47    49   7.00000 -1.0 2.0
   44    43    47    67   7.00000 -1.0 2.0
   47    49    54    55   1.00000 -1.0 2.0
   47    49    54    59   0.50400  1.0 1.0
   47    49    54    59   1.60000 -1.0 2.0
   47    49    54    59  -0.01800  1.0 3.0
   47    49    56    61  -2.26850  1.0 1.0
   47    49    56    61   3.39050 -1.0 2.0
   49    47    67    63   7.00000 -1.0 2.0
   49    47    67    68   7.00000 -1.0 2.0
   49    54    59    60   0.03000  1.0 1.0
   49    54    59    60   0.58800 -1.0 2.0
   49    54    59    60   0.15550  1.0 3.0
   49    54   -59    63   0.43900  1.0 1.0
   49    54   -59    63  -0.18150 -1.0 2.0
   49    54   -59    63  -0.03650  1.0 3.0
   49    56    61    62   0.08050  1.0 3.0
   49    56    61    65  -0.46850  1.0 1.0
   49    56    61    65   0.09300 -1.0 2.0
   49    56    61    65  -0.12850  1.0 3.0
   49    56    61    81  -0.48150  1.0 1.0
   49    56    61    81   0.09250 -1.0 2.0
   49    56    61    81  -0.12850  1.0 3.0
   54    49    56    61   0.15100 -1.0 2.0
   54    59    63    64   0.92800 -1.0 2.0
   54    59    63    67   0.50400  1.0 1.0
   54    59    63    67   1.60000 -1.0 2.0
   54    59    63    67  -0.01800  1.0 3.0
   55    54    59    60   0.06100 -1.0 2.0
   55    54    59    63   0.03000  1.0 1.0
   55    54    59    63   0.58800 -1.0 2.0
   55    54    59    63   0.15550  1.0 3.0
   59    63   -67    47   7.00000 -1.0 2.0
   59    63    67    68   7.00000 -1.0 2.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    67   1.00000 -1.0 2.0
   64    63    67    47   7.00000 -1.0 2.0
   64    63    67    68   7.00000 -1.0 2.0
   67    47   -49    54   7.00000 -1.0 2.0
   67    47    49    56   7.00000 -1.0 2.0
   56    49    54    55  -0.11900  1.0 1.0
   56    49    54    55   0.76850 -1.0 2.0
   56    49    54    55   0.14100  1.0 3.0
   56    49    54    59   1.50000 -1.0 2.0
   56    61    65    66   0.23400  1.0 3.0
   56    61    65    69   0.62750  1.0 1.0
   56    61    65    69  -0.30950 -1.0 2.0
   56    61    65    69   0.27300  1.0 3.0
   56    61    65    71   1.51850  1.0 1.0
   56    61    81    77  -0.70400  1.0 1.0
   56    61    81    77  -0.90350 -1.0 2.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    73   0.56750  1.0 1.0
   61    65    69    73  -0.07550 -1.0 2.0
   61    65    69    73   0.20000  1.0 3.0
   61    65    69    75  -0.47750  1.0 1.0
   61    65    71    72   0.29150  1.0 1.0
   61    65    71    72  -0.28350 -1.0 2.0
   61    65    71    72   0.43600  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    81    77   0.37050  1.0 3.0
   65    61    81    77   0.06250  1.0 1.0
   65    61    81    77  -0.01100 -1.0 2.0
   65    61    81    77   0.28050  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69   -73    77   0.56750  1.0 1.0
   65    69   -73    77  -0.07550 -1.0 2.0
   65    69   -73    77   0.20000  1.0 3.0
   65    69    73    79  -0.47750  1.0 1.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    61   0.06250  1.0 1.0
   73    77   -81    61  -0.01100 -1.0 2.0
   73    77   -81    61   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    61   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    61    65    66   0.23400  1.0 3.0
   81    61   -65    69   0.62750  1.0 1.0
   81    61   -65    69  -0.30950 -1.0 2.0
   81    61   -65    69   0.27300  1.0 3.0
   81    61    65    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    61   0.06250  1.0 1.0
   82    77    81    61  -0.01100 -1.0 2.0
   82    77    81    61   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    52    48    45   4.00000 -1.0 2.0
   57    51    50    48   1.10000 -1.0 2.0
   50    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   43    67    47    49   1.10000 -1.0 2.0
   54    56    49    47   1.10000 -1.0 2.0
   49    59    54    55  10.50000 -1.0 2.0
   54    63    59    60  10.50000 -1.0 2.0
   59    64    63    67   1.10000 -1.0 2.0
   47    68    67    63   1.10000 -1.0 2.0
END
