* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    151    236     431
    1     0 S   NP   _N1_     1    28.94320    94.08047   -22.81471
    2     1 S   H    _HN1     2     1.02779   101.68826   -84.86120
    3     1 S   H    _H1_     3     1.02958    85.94014    23.03678
    4     1 S   H    _H2_     4     1.02837    25.84499   168.14876
    5     1 S   CT   _CA1     5     1.50113   133.95312   137.69154
    6     5 S   HC   _HA1     6     1.09575   105.22966    72.79974
    7     5 S   CO3  _C1_     7     1.53776   112.38913   -47.42129
    8     7 S   O2Z  _O11     8     1.26359   114.99519   -44.12003
    9     7 S   O2Z  _O12     9     1.26237   114.91736   135.06486
   10     5 S   CT   _CB1    10     1.53098   107.44483  -169.28568
   11    10 S   HC   HB11    11     1.09827   109.32247   -50.80684
   12    10 S   HC   HB12    12     1.09819   110.43377    65.74297
   13    10 S   CT   _CG1    13     1.53021   112.66807  -171.89320
   14    13 S   HC   HG11    14     1.09593   110.48034   -64.31805
   15    13 S   HC   HG12    15     1.09656   109.94606    54.91240
   16    13 S   C    _CD1    16     1.51811   112.30396   175.27391
   17    16 S   O    _OE1    17     1.22735   123.24485    -0.05935
   18    16 S   N    _N2_    18     1.38657   111.66630  -179.96044
   19    18 S   H    _HN2    19     1.01592   119.04591     0.92026
   20    18 S   CT1  _CA2    20     1.46085   123.34928   179.32565
   21    20 S   HC   _HA2    21     1.09590   109.28105    -6.68891
   22    20 S   C    _C2_    22     1.53473   108.75405  -121.74311
   23    22 S   O    _O2_    23     1.23033   122.10906  -147.49387
   24    20 S   CT   _CB2    32     1.53363   111.73515   115.72901
   25    24 S   HC   HB21    33     1.09651   109.67436    60.64627
   26    24 S   HC   HB22    34     1.09570   110.91664   178.04255
   27    22 S   N    _N3_    24     1.38471   113.50524    40.15773
   28    27 S   H    _HN3    25     1.01499   118.96428    -0.87402
   29    24 S   S    _SG2    35     1.82883   114.65645   -59.34699
   30    27 S   CT   _CA3    26     1.45447   123.44358   174.41998
   31    30 S   HC   HA31    27     1.09523   109.19951    25.08158
   32    30 S   HC   HA32    28     1.09491   107.12913   142.14481
   33    29 S   CT   _C18    36     1.82800    99.77310   -66.11524
   34    33 S   HC   _H3_    37     1.09506   108.51891   -49.39237
   35    33 S   HC   _H4_    38     1.09093   106.71288    67.63891
   36    30 S   CO3  _C3_    29     1.52957   113.17216   -98.31916
   37    36 S   O2Z  _O31    30     1.26400   115.48254   -41.33286
   38    36 S   O2Z  _O32    31     1.26364   114.92101   139.57581
   39    33 S   CT   _C9_    39     1.53459   111.42089  -171.86327
   40    39 S   HC   _H29    40     1.09644   111.66020   -47.43439
   41    39 S   CO4  _C4_    41     1.50813   110.22708    74.91209
   42    41 S   O    _O16    42     1.22111   125.98118   -79.90039
   43    41 S   OS   _O17    43     1.36350   109.88996    98.44335
   44    43 S   CT   _C12    44     1.43988   110.72154     3.06835
   45    44 S   HC   _H32    45     1.09450   107.71847   -98.22153
   46    39 S   CT   _C10    46     1.54369   115.45698  -171.93399
   47    46 S   HC   _H30    47     1.10030   106.32573   160.94109
   48    44 S   C3T  _C13    64     1.49485   108.19856   140.64683
   49    48 S   HC   _H33    65     1.08238   112.86351   -93.84612
   50    46 S   CT   _C5_    48     1.53913   113.79941    42.16521
   51    50 S   HC   _H21    49     1.09910   106.72096    43.34678
   52    50 S   HC   _H22    50     1.09476   110.38365   -71.34804
   53    71 S   O3T  _O19    66     1.43295   114.93341  -147.50871
   54    50 S   CT   _C7_    51     1.53658   116.79858   161.03964
   55    54 S   HC   _H25    52     1.09833   107.49089  -157.33285
   56    54 S   HC   _H26    53     1.09678   109.45434   -42.78937
   57    54 S   C3T  _C14    54     1.51023   115.63117    83.37122
   58    57 S   C3T  _C11    55     1.52911   117.73040  -118.61890
   59    58 S   HC   _H31    56     1.08323   119.80106     2.78249
   60    57 S   CT   _C16    72     1.50242   116.96116    48.19653
   61    60 S   HC   _H34    73     1.09404   112.70682   163.63923
   62    60 S   HC   _H35    74     1.09555   110.22863    44.36040
   63    60 S   HC   _H36    75     1.09258   110.85320   -75.14818
   64    58 S   CT   _C6_    57     1.49577   122.92750   155.76898
   65    64 S   HC   _H23    58     1.09641   108.58168   139.29762
   66    64 S   HC   _H24    59     1.09381   111.99705    22.04294
   67    57 S   O3T  _O18    71     1.44771   113.18232   177.65715
   68    64 S   CT   _C8_    60     1.53534   111.27094  -101.28954
   69    68 S   HC   _H27    61     1.09642   109.36442  -179.00083
   70    68 S   HC   _H28    62     1.09791   109.12056   -63.05986
   71    68 S   C3T  _C15    63     1.50865   112.01471    59.04270
   72    71 S   CT   _C17    67     1.49922   116.68634    79.53986
   73    72 S   HC   _H37    68     1.09422   112.53766   173.61042
   74    72 S   HC   _H38    69     1.09547   110.05230    54.31745
   75    72 S   HC   _H39    70     1.09241   111.10779   -64.85441
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  12   5  12
   4   9   5   4   9  11   5   4  11  13   6   5   3   2   1   8
   6   5   1   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    52    54    48  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    71    48    49    53  
   45    46    47    50    51    52    54    68    71    48    49    53    72  
   46    47    50    71    48    49    53  
   47    50    51    52    54    55    56    57    71    48    49    53  
   50    51    52    54    48  
   49    53    72    73    74    75    50    64    68    69    70    71  
   53    72    68    71  
   51    52    54    55    56    57    58    67    60  
   52    54    55    56    57  
   54    55    56    57  
   72    73    74    75    64    68    69    70    71  
   55    56    57    58    59    64    67    60    61    62    63  
   56    57    58    67    60  
   57    58    67    60  
   58    59    64    65    66    68    67    60    61    62    63  
   59    64    65    66    68    69    70    71    67    60    61    62    63  
   64    65    66    68    67    60  
   61    62    63    64    67  
   62    63    67  
   63    67  
   67  
   65    66    68    69    70    71    72    67  
   66    68    69    70    71    67  
   68    69    70    71    67  
   68  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   275.000  1.510
   57    58   260.000  1.509
   57    67   335.000  1.432
   57    60   275.000  1.510
   58    59   340.000  1.088
   58    64   275.000  1.510
   58    67   335.000  1.432
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   275.000  1.510
   71    48   260.000  1.509
   71    53   335.000  1.432
   71    72   275.000  1.510
   48    49   340.000  1.088
   48    53   335.000  1.432
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    71    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    53    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    70.00000  112.37300
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    57    58    60.00000  120.94000
   54    57    67    80.00000  116.47100
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    45.00000  109.38400
   57    54    56    45.00000  109.38400
   57    58    59    37.50000  117.20000
   57    58    64    60.00000  120.94000
   57    58    67    15.00000   60.43100
   57    67    58    15.00000   59.14900
   57    60    61    45.00000  109.38400
   57    60    62    45.00000  109.38400
   57    60    63    45.00000  109.38400
   58    64    65    45.00000  109.38400
   58    64    66    45.00000  109.38400
   58    64    68    70.00000  112.37300
   64    58    59    40.00000  115.04500
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    70.00000  112.37300
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    71    48    60.00000  120.94000
   68    71    53    80.00000  116.47100
   68    71    72    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    45.00000  109.38400
   71    68    70    45.00000  109.38400
   71    48    49    37.50000  117.20000
   71    48    53    15.00000   60.43100
   71    53    48    15.00000   59.14900
   71    72    73    45.00000  109.38400
   71    72    74    45.00000  109.38400
   71    72    75    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   53    71    48    15.00000   60.43100
   53    48    49    50.00000  114.27700
   72    71    48    60.00000  120.94000
   72    71    53    80.00000  116.47100
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    57    58    15.00000   60.43100
   67    58    59    50.00000  114.27700
   67    58    64    80.00000  116.47100
   60    57    58    60.00000  120.94000
   60    57    67    80.00000  116.47100
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    52   0.15000  1.0 3.0
   39    46    50    54   0.56750  1.0 1.0
   39    46    50    54  -0.07550 -1.0 2.0
   39    46    50    54   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    71  -0.26800  1.0 1.0
   43    44    48    71   0.69150 -1.0 2.0
   43    44    48    71  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    53   1.11900  1.0 1.0
   43    44    48    53  -1.16350 -1.0 2.0
   43    44    48    53  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    48   -53    71   0.06250  1.0 1.0
   44    48   -53    71  -0.01100 -1.0 2.0
   44    48   -53    71   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    71   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    71   0.07850  1.0 1.0
   46    44    48    71  -0.03950 -1.0 2.0
   46    44    48    71   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    53   0.02550  1.0 1.0
   46    44    48    53  -0.02600 -1.0 2.0
   46    44    48    53   1.20400  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    57   0.47050  1.0 1.0
   46    50    54    57   0.03900 -1.0 2.0
   46    50    54    57   0.20100  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   50    54    57    58   0.07850  1.0 1.0
   50    54    57    58  -0.03950 -1.0 2.0
   50    54    57    58   0.67350  1.0 3.0
   50    54    57    67   0.02550  1.0 1.0
   50    54    57    67  -0.02600 -1.0 2.0
   50    54    57    67   1.20400  1.0 3.0
   50    54    57    60   0.56750  1.0 1.0
   50    54    57    60  -0.07550 -1.0 2.0
   50    54    57    60   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   54    57    58    59   0.15000  1.0 3.0
   54    57    58    64   0.56750  1.0 1.0
   54    57    58    64  -0.07550 -1.0 2.0
   54    57    58    64   0.20000  1.0 3.0
   54    57   -58    67   0.02550  1.0 1.0
   54    57   -58    67  -0.02600 -1.0 2.0
   54    57   -58    67   1.20400  1.0 3.0
   54    57   -67    58   0.06250  1.0 1.0
   54    57   -67    58  -0.01100 -1.0 2.0
   54    57   -67    58   0.28050  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62   0.15000  1.0 3.0
   54    57    60    63   0.15000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    67   0.23400  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    67   0.23400  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    58    64    65   0.15000  1.0 3.0
   57    58    64    66   0.15000  1.0 3.0
   57    58    64    68   0.07850  1.0 1.0
   57    58    64    68  -0.03950 -1.0 2.0
   57    58    64    68   0.67350  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    64    68    69   0.15000  1.0 3.0
   58    64    68    70   0.15000  1.0 3.0
   58    64    68    71   0.47050  1.0 1.0
   58    64    68    71   0.03900 -1.0 2.0
   58    64    68    71   0.20100  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    68   0.15000  1.0 3.0
   59    58   -67    57   0.36800  1.0 3.0
   64    58   -67    57   0.06250  1.0 1.0
   64    58   -67    57  -0.01100 -1.0 2.0
   64    58   -67    57   0.28050  1.0 3.0
   64    68    71    48   0.07850  1.0 1.0
   64    68    71    48  -0.03950 -1.0 2.0
   64    68    71    48   0.67350  1.0 3.0
   64    68    71    53   0.02550  1.0 1.0
   64    68    71    53  -0.02600 -1.0 2.0
   64    68    71    53   1.20400  1.0 3.0
   64    68    71    72   0.56750  1.0 1.0
   64    68    71    72  -0.07550 -1.0 2.0
   64    68    71    72   0.20000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    70   0.15000  1.0 3.0
   66    64    68    71   0.15000  1.0 3.0
   68    71    48    44   0.56750  1.0 1.0
   68    71    48    44  -0.07550 -1.0 2.0
   68    71    48    44   0.20000  1.0 3.0
   68    71    48    49   0.15000  1.0 3.0
   68    71   -48    53   0.02550  1.0 1.0
   68    71   -48    53  -0.02600 -1.0 2.0
   68    71   -48    53   1.20400  1.0 3.0
   68    71   -53    48   0.06250  1.0 1.0
   68    71   -53    48  -0.01100 -1.0 2.0
   68    71   -53    48   0.28050  1.0 3.0
   68    71    72    73   0.15000  1.0 3.0
   68    71    72    74   0.15000  1.0 3.0
   68    71    72    75   0.15000  1.0 3.0
   69    68    71    48   0.15000  1.0 3.0
   69    68    71    53   0.23400  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   70    68    71    48   0.15000  1.0 3.0
   70    68    71    53   0.23400  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    71    72    73   0.15000  1.0 3.0
   48    71    72    74   0.15000  1.0 3.0
   48    71    72    75   0.15000  1.0 3.0
   49    48   -53    71   0.36800  1.0 3.0
   53    71   -48    44   0.02550  1.0 1.0
   53    71   -48    44  -0.02600 -1.0 2.0
   53    71   -48    44   1.20400  1.0 3.0
   53    71   -48    49   0.23400  1.0 3.0
   53    71    72    73   0.23400  1.0 3.0
   53    71    72    74   0.23400  1.0 3.0
   53    71    72    75   0.23400  1.0 3.0
   72    71    48    44   0.56750  1.0 1.0
   72    71    48    44  -0.07550 -1.0 2.0
   72    71    48    44   0.20000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71   -48    53   0.02550  1.0 1.0
   72    71   -48    53  -0.02600 -1.0 2.0
   72    71   -48    53   1.20400  1.0 3.0
   72    71   -53    48   0.06250  1.0 1.0
   72    71   -53    48  -0.01100 -1.0 2.0
   72    71   -53    48   0.28050  1.0 3.0
   67    57   -58    59   0.23400  1.0 3.0
   67    57   -58    64   0.02550  1.0 1.0
   67    57   -58    64  -0.02600 -1.0 2.0
   67    57   -58    64   1.20400  1.0 3.0
   67    57    60    61   0.23400  1.0 3.0
   67    57    60    62   0.23400  1.0 3.0
   67    57    60    63   0.23400  1.0 3.0
   67    58    64    65   0.23400  1.0 3.0
   67    58    64    66   0.23400  1.0 3.0
   67    58    64    68   0.02550  1.0 1.0
   67    58    64    68  -0.02600 -1.0 2.0
   67    58    64    68   1.20400  1.0 3.0
   60    57    58    59   0.15000  1.0 3.0
   60    57    58    64   0.56750  1.0 1.0
   60    57    58    64  -0.07550 -1.0 2.0
   60    57    58    64   0.20000  1.0 3.0
   60    57   -58    67   0.02550  1.0 1.0
   60    57   -58    67  -0.02600 -1.0 2.0
   60    57   -58    67   1.20400  1.0 3.0
   60    57   -67    58   0.06250  1.0 1.0
   60    57   -67    58  -0.01100 -1.0 2.0
   60    57   -67    58   0.28050  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
