* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    146    209     418
    1     0 S   NP   _N1_     1    28.99609    96.06248   -24.56025
    2     1 S   H    _HN1     2     1.02781   114.30604   -84.59836
    3     1 S   H    _H1_     3     1.02951    70.28787    17.28350
    4     1 S   H    _H2_     4     1.02828    37.34009  -172.53957
    5     1 S   CT   _CA1     5     1.50178   130.27762   117.74477
    6     5 S   HC   _HA1     6     1.09582   105.13147    96.78245
    7     5 S   CO3  _C1_     7     1.53790   112.20550   -23.25959
    8     7 S   O2Z  _O11     8     1.26366   114.94347   -45.16447
    9     7 S   O2Z  _O12     9     1.26279   114.93339   133.51216
   10     5 S   CT   _CB1    10     1.53095   107.35096  -145.35987
   11    10 S   HC   HB11    11     1.09837   109.25447   -49.01247
   12    10 S   HC   HB12    12     1.09798   110.60561    67.61296
   13    10 S   CT   _CG1    13     1.52977   112.56236  -169.90728
   14    13 S   HC   HG11    14     1.09565   110.73093   -67.81237
   15    13 S   HC   HG12    15     1.09623   109.51519    51.56433
   16    13 S   C    _CD1    16     1.51779   112.26757   171.27647
   17    16 S   O    _OE1    17     1.22756   123.22601     8.25457
   18    16 S   N    _N2_    18     1.38693   111.73631  -171.21776
   19    18 S   H    _HN2    19     1.01637   118.86958    -0.12033
   20    18 S   CT1  _CA2    20     1.46144   123.21072   174.11620
   21    20 S   HC   _HA2    21     1.09756   109.34243     0.24066
   22    20 S   C    _C2_    22     1.53572   108.21027  -114.75083
   23    22 S   O    _O2_    23     1.23049   122.39600  -145.94926
   24    20 S   CT   _CB2    32     1.53230   112.08408   122.44481
   25    24 S   HC   HB21    33     1.09556   110.37959    54.18266
   26    24 S   HC   HB22    34     1.09437   109.83640   173.31637
   27    22 S   N    _N3_    24     1.38383   113.53713    41.73271
   28    27 S   H    _HN3    25     1.01598   119.56762    -4.92824
   29    24 S   S    _SG2    35     1.82630   111.56391   -66.88222
   30    27 S   CT   _CA3    26     1.45282   123.19853   176.87620
   31    30 S   HC   HA31    27     1.09558   107.71822   -57.92430
   32    30 S   HC   HA32    28     1.09550   107.74737    58.47544
   33    29 S   CT   _C12    36     1.82316    99.37013  -178.24064
   34    33 S   HC   _H7_    37     1.09578   108.83373   -49.97617
   35    30 S   CO3  _C3_    29     1.52968   114.09161  -179.86730
   36    35 S   O2Z  _O31    30     1.26382   116.05181    -5.27359
   37    35 S   O2Z  _O32    31     1.26446   114.41633   174.71587
   38    33 S   CT   _C13    38     1.51793   112.73726    72.29337
   39    38 S   HC   _H19    39     1.09410   112.85313   -80.88645
   40    38 S   HC   _H20    40     1.09705   110.84310    41.92081
   41    38 S   CO   _C14    41     1.51594   101.68097   158.04199
   42    41 S   HC   _H8_    42     1.09441   111.98453  -156.41180
   43    41 S   OS   _O42    43     1.42958   105.90935   -36.30668
   44    41 S   OH   _O43    77     1.42176   109.24753    82.79461
   45    44 S   HO   _H21    78     0.97203   106.63640   163.33238
   46    33 S   CT   _C11    44     1.53337   113.12406  -172.72997
   47    46 S   HC   _H6_    45     1.09720   111.09360   -30.66355
   48    46 S   CT   _C10    46     1.52482   113.88086    93.59885
   49    48 S   HC   _H17    47     1.09563   109.93389   176.37907
   50    48 S   HC   _H18    48     1.09603   110.42607    58.66630
   51    48 S   OS   _O41    49     1.41795   110.11029   -63.55919
   52    51 S   P2   _P2_    50     1.63411   118.97164   165.11585
   53    52 S   O2Z  _O40    51     1.51283   108.94341    44.60153
   54    52 S   O2Z  _O39    52     1.51246   108.19077   177.54680
   55    52 S   OS   _O38    53     1.63487    99.67806   -68.60915
   56    55 S   CT   _C7_    54     1.42669   119.21214   -68.62211
   57    56 S   HC   _H4_    55     1.09336   109.70575    27.53010
   58    56 S   CT   _C6_    56     1.51151   108.11272   150.71747
   59    58 S   HC   _H12    57     1.09618   109.84805  -162.53875
   60    58 S   HC   _H13    58     1.09410   113.92381   -40.25707
   61    58 S   CT   _C5_    59     1.51936   101.84756    79.98811
   62    61 S   HC   _H3_    60     1.09662   110.38630   -82.66832
   63    61 S   OS   _O33    61     1.43515   106.32526    33.36475
   64    61 S   CT   _C4_    73     1.51660   113.37443   153.97339
   65    64 S   HC   _H9_    74     1.09557   111.02772   -60.77023
   66    64 S   HC   _H10    75     1.09520   110.33314  -178.66411
   67    64 S   HC   _H11    76     1.09398   111.25716    60.57778
   68    56 S   CT   _C8_    62     1.52518   109.51413   -97.98605
   69    68 S   HC   _H5_    63     1.09525   112.64196    28.88846
   70    68 S   CT   _C9_    64     1.52731   112.17494   154.32666
   71    70 S   HC   _H14    65     1.09463   111.01215    67.12618
   72    70 S   HC   _H15    66     1.09433   110.52797   -54.37071
   73    70 S   OS   _O34    67     1.42485   108.76449  -173.06681
   74    73 S   P2   _P1_    68     1.63183   119.04946  -168.98000
   75    74 S   O2Z  _O37    69     1.51142   108.67781  -174.87876
   76    74 S   O2Z  _O35    70     1.51215   109.57307    51.25279
   77    74 S   OS   _O36    71     1.62870    99.34547   -62.25561
   78    77 S   HO   _H16    72     0.98409   117.03150   -75.40094
  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
  14   8   2   1   1  10   6   5   7   4   8   2   1   6   4   7
   3   2   5   7   3   2  10  14   8  12   6   5   9   6  10   4
   2   1   1   6   4   7   3   2   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    49    50    51    44  
   38    39    40    41    43    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    48    44    45  
   40    41    42    43    46    44  
   41    42    43    46    44  
   42    43    46    47    48    44    45  
   43    46    44    45  
   46    47    48    49    50    51    44    45  
   45    46  
    0  
   47    48    49    50    51    52  
   48    49    50    51  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52    53    54    55    56  
   53    54    55    56    57    58    68  
   54    55    56  
   55    56  
   56    57    58    59    60    61    63    68    69    70  
   57    58    59    60    61    62    63    68    69    70    71    72    73    64  
   58    59    60    61    63    68    69    70  
   59    60    61    62    63    68    69    70    64    65    66    67  
   60    61    62    63    68    64  
   61    62    63    68    64  
   62    63    68    69    70    64    65    66    67  
   63    68    64    65    66    67  
   68    69    70    71    72    73    64    65    66    67  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   75   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   76   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   77   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.380000   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   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   250.000  1.527
   41    42   340.000  1.090
   41    43   320.000  1.380
   41    44   380.000  1.407
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   320.000  1.410
   51    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    55   230.000  1.697
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    68   268.000  1.529
   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   320.000  1.410
   61    64   268.000  1.529
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   320.000  1.410
   73    74   230.000  1.697
   74    75   525.000  1.480
   74    76   525.000  1.480
   74    77   230.000  1.697
   77    78   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  109.43000
   33    46    43    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    45.00000  112.01100
   38    41    43    90.00000  108.56700
   38    41    44    90.00000  110.19100
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  108.72000
   41    38    40    45.00000  108.72000
   41    43    46    60.00000  109.50000
   41    44    45    70.00000  107.92000
   43    41    42    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    51    52   100.00000  120.50000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53   100.00000  108.23000
   51    52    54   100.00000  108.23000
   51    52    55    45.00000  102.60000
   52    55    56   100.00000  120.50000
   54    52    53   140.00000  119.90000
   55    52    53   100.00000  108.23000
   55    52    54   100.00000  108.23000
   55    56    57    35.00000  109.50000
   55    56    58    50.00000  109.50000
   55    56    68    50.00000  109.50000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    68    63    50.00000  109.50000
   56    68    69    37.50000  110.70000
   56    68    70    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    50.00000  109.50000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    68    60.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    70    50.00000  109.50000
   68    56    57    37.50000  110.70000
   68    56    58    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    50.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74   100.00000  120.50000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75   100.00000  108.23000
   73    74    76   100.00000  108.23000
   73    74    77    45.00000  102.60000
   74    77    78    45.00000  108.50000
   76    74    75   140.00000  119.90000
   77    74    75   100.00000  108.23000
   77    74    76   100.00000  108.23000
   64    61    62    37.50000  110.70000
   64    61    63    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   44    41    42    60.00000  108.02500
   44    41    43   110.00000  112.08000
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   0.01700  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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38   -41    43   0.62750  1.0 1.0
   33    38   -41    43  -0.30950 -1.0 2.0
   33    38   -41    43   0.27300  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.62750  1.0 1.0
   33    46    48    51  -0.30950 -1.0 2.0
   33    46    48    51   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    46    43   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    43   0.62750  1.0 1.0
   38    33   -46    43  -0.30950 -1.0 2.0
   38    33   -46    43   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    41   -43    46   0.06250  1.0 1.0
   38    41   -43    46  -0.01100 -1.0 2.0
   38    41   -43    46   0.28050  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43   -46    33   0.06250  1.0 1.0
   41    43   -46    33  -0.01100 -1.0 2.0
   41    43   -46    33   0.28050  1.0 3.0
   41    43    46    47   0.37050  1.0 3.0
   41    43    46    48   0.06250  1.0 1.0
   41    43    46    48  -0.01100 -1.0 2.0
   41    43    46    48   0.28050  1.0 3.0
   42    41    43    46   0.37050  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.50000  1.0 1.0
   43    41    44    45  -0.73950 -1.0 2.0
   43    41    44    45   0.17150  1.0 3.0
   43    46    48    49   0.23400  1.0 3.0
   43    46    48    50   0.23400  1.0 3.0
   43    46    48    51   1.11900  1.0 1.0
   43    46    48    51  -1.16350 -1.0 2.0
   43    46    48    51  -0.34150  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41   3.97050  1.0 1.0
   46    48    51    52  -2.65550  1.0 1.0
   46    48    51    52  -0.22350 -1.0 2.0
   46    48    51    52   0.24150  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.23400  1.0 3.0
   48    51    52    53   0.00000  1.0 1.0
   48    51    52    54   0.00000  1.0 1.0
   48    51    52    55   0.05050  1.0 1.0
   48    51    52    55  -1.30700 -1.0 2.0
   48    51    52    55   0.91550  1.0 3.0
   49    48    51    52   0.03000  1.0 3.0
   50    48    51    52   0.03000  1.0 3.0
   51    52    55    56   0.05050  1.0 1.0
   51    52    55    56  -1.30700 -1.0 2.0
   51    52    55    56   0.91550  1.0 3.0
   52    55    56    57   0.03000  1.0 3.0
   52    55    56    58  -2.65550  1.0 1.0
   52    55    56    58  -0.22350 -1.0 2.0
   52    55    56    58   0.24150  1.0 3.0
   52    55    56    68  -2.65550  1.0 1.0
   52    55    56    68  -0.22350 -1.0 2.0
   52    55    56    68   0.24150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.23400  1.0 3.0
   55    56    58    61   0.62750  1.0 1.0
   55    56    58    61  -0.30950 -1.0 2.0
   55    56    58    61   0.27300  1.0 3.0
   55    56    68    63   1.11900  1.0 1.0
   55    56    68    63  -1.16350 -1.0 2.0
   55    56    68    63  -0.34150  1.0 3.0
   55    56    68    69   0.23400  1.0 3.0
   55    56    68    70   0.62750  1.0 1.0
   55    56    68    70  -0.30950 -1.0 2.0
   55    56    68    70   0.27300  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58   -61    63   0.62750  1.0 1.0
   56    58   -61    63  -0.30950 -1.0 2.0
   56    58   -61    63   0.27300  1.0 3.0
   56    58    61    64   0.56750  1.0 1.0
   56    58    61    64  -0.07550 -1.0 2.0
   56    58    61    64   0.20000  1.0 3.0
   56    68    70    71   0.15000  1.0 3.0
   56    68    70    72   0.15000  1.0 3.0
   56    68    70    73   0.62750  1.0 1.0
   56    68    70    73  -0.30950 -1.0 2.0
   56    68    70    73   0.27300  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    68    63   0.23400  1.0 3.0
   57    56    68    69   0.15000  1.0 3.0
   57    56    68    70   0.15000  1.0 3.0
   58    56   -68    63   0.62750  1.0 1.0
   58    56   -68    63  -0.30950 -1.0 2.0
   58    56   -68    63   0.27300  1.0 3.0
   58    56    68    69   0.15000  1.0 3.0
   58    56    68    70   0.56750  1.0 1.0
   58    56    68    70  -0.07550 -1.0 2.0
   58    56    68    70   0.20000  1.0 3.0
   58    61   -63    68   0.06250  1.0 1.0
   58    61   -63    68  -0.01100 -1.0 2.0
   58    61   -63    68   0.28050  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.23400  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.23400  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    63   -68    56   0.06250  1.0 1.0
   61    63   -68    56  -0.01100 -1.0 2.0
   61    63   -68    56   0.28050  1.0 3.0
   61    63    68    69   0.37050  1.0 3.0
   61    63    68    70   0.06250  1.0 1.0
   61    63    68    70  -0.01100 -1.0 2.0
   61    63    68    70   0.28050  1.0 3.0
   62    61    63    68   0.37050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.23400  1.0 3.0
   63    61    64    66   0.23400  1.0 3.0
   63    61    64    67   0.23400  1.0 3.0
   63    68    70    71   0.23400  1.0 3.0
   63    68    70    72   0.23400  1.0 3.0
   63    68    70    73   1.11900  1.0 1.0
   63    68    70    73  -1.16350 -1.0 2.0
   63    68    70    73  -0.34150  1.0 3.0
   68    56    58    59   0.15000  1.0 3.0
   68    56    58    60   0.15000  1.0 3.0
   68    56   -58    61   0.56750  1.0 1.0
   68    56   -58    61  -0.07550 -1.0 2.0
   68    56   -58    61   0.20000  1.0 3.0
   68    70    73    74  -2.65550  1.0 1.0
   68    70    73    74  -0.22350 -1.0 2.0
   68    70    73    74   0.24150  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.23400  1.0 3.0
   70    73    74    75   0.00000  1.0 1.0
   70    73    74    76   0.00000  1.0 1.0
   70    73    74    77   0.05050  1.0 1.0
   70    73    74    77  -1.30700 -1.0 2.0
   70    73    74    77   0.91550  1.0 3.0
   71    70    73    74   0.03000  1.0 3.0
   72    70    73    74   0.03000  1.0 3.0
   73    74    77    78   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   64    61    63    68   0.06250  1.0 1.0
   64    61    63    68  -0.01100 -1.0 2.0
   64    61    63    68   0.28050  1.0 3.0
   44    41    43    46  -0.70900  1.0 1.0
   44    41    43    46  -1.18000 -1.0 2.0
   44    41    43    46   0.91650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
