* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    150    243     442
    1     0 S   NP   _N1_     1    29.31039    91.82310   -24.74890
    2     1 S   H    _HN1     2     1.02832     9.53999  -172.63654
    3     1 S   H    _H1_     3     1.02786   110.16772   -95.04384
    4     1 S   H    _H2_     4     1.02950    97.74864    17.77391
    5     1 S   CT   _CA1     5     1.50129   116.85307   135.41786
    6     5 S   HC   _HA1     6     1.09571   105.22048    67.39712
    7     5 S   CO3  _C1_     7     1.53794   112.22028   -52.85548
    8     7 S   O2Z  _O11     8     1.26384   115.05335   -46.85116
    9     7 S   O2Z  _O12     9     1.26227   114.92381   132.08891
   10     5 S   CT   _CB1    10     1.53056   107.39938  -174.67803
   11    10 S   HC   HB11    11     1.09830   109.45715   -49.33106
   12    10 S   HC   HB12    12     1.09823   110.40345    67.26008
   13    10 S   CT   _CG1    13     1.53024   112.64876  -170.31846
   14    13 S   HC   HG11    14     1.09604   110.49895   -62.65836
   15    13 S   HC   HG12    15     1.09645   109.99050    56.64662
   16    13 S   C    _CD1    16     1.51813   112.07921   177.07604
   17    16 S   O    _OE1    17     1.22765   123.19302     0.81757
   18    16 S   N    _N2_    18     1.38657   111.78862  -179.50465
   19    18 S   H    _HN2    19     1.01589   119.14077     2.04918
   20    18 S   CT1  _CA2    20     1.46289   123.19255  -177.90800
   21    20 S   HC   _HA2    21     1.09742   109.19385    -5.71409
   22    20 S   C    _C2_    22     1.53350   108.95805  -121.37467
   23    22 S   O    _O2_    23     1.23048   122.27273  -150.02361
   24    20 S   CT   _CB2    32     1.53560   111.58673   115.82766
   25    24 S   HC   HB21    33     1.09498   109.49149    60.20001
   26    24 S   HC   HB22    34     1.09504   110.21040   179.34329
   27    22 S   N    _N3_    24     1.38340   113.59282    37.57965
   28    27 S   H    _HN3    25     1.01633   119.46223    -3.87939
   29    24 S   S    _SG2    35     1.82679   110.90439   -60.33185
   30    27 S   CT   _CA3    26     1.45283   123.13950   176.86412
   31    30 S   HC   HA31    27     1.09552   107.54110   -63.41619
   32    30 S   HC   HA32    28     1.09559   107.92675    52.98318
   33    29 S   CT   _C17    36     1.83490   101.64535  -172.50805
   34    33 S   HC   _H4_    37     1.09762   104.95770    53.67806
   35    30 S   CO3  _C3_    29     1.52934   114.14853   174.95655
   36    35 S   O2Z  _O31    30     1.26365   116.06350    -0.71189
   37    35 S   O2Z  _O32    31     1.26430   114.41010   179.35079
   38    33 S   CM   _C16    38     1.50613   109.10492   -61.56758
   39    38 S   HC   _H16    39     1.09047   115.24927    74.21487
   40    38 S   CMA  _C15    40     1.34975   127.47156  -107.62175
   41    40 S   OM   _O34    41     1.26373   128.51486  -177.97261
   42    40 S   CT   _C14    42     1.53663   119.77850    -0.45542
   43    42 S   HC   _H3_    43     1.10121   107.85941  -127.12914
   44    42 S   CT   _C7_    44     1.54774   116.41765    -5.07763
   45    42 S   OS   _O33    53     1.47532   110.47263   117.59644
   46    44 S   CR3  _C8_    45     1.48409    99.12855   103.01441
   47    44 S   CT   _C6_    70     1.54950   111.26851  -140.80329
   48    47 S   HC   _H12    71     1.09891   108.44465    61.00992
   49    47 S   HC   _H13    72     1.09789   111.15481   -55.63317
   50    46 S   CA   _C9_    46     1.38200   125.92870  -160.85084
   51    50 S   CA   _C10    47     1.39442   116.95415  -179.97202
   52    51 S   HA   _H14    48     1.08698   120.30418  -179.86294
   53    50 S   CT   _C20    59     1.50663   119.03865     4.70794
   54    53 S   HC   _H17    60     1.09679   108.33204   123.05244
   55    53 S   HC   _H18    61     1.09494   108.55925  -123.44609
   56    51 S   CA   _C11    49     1.41196   120.45674    -1.65280
   57    56 S   HA   _H15    50     1.08656   117.37985  -179.59797
   58    53 S   CT   _C19    62     1.57488   114.82835     2.29337
   59    58 S   HC   _H6_    63     1.09781   108.51572   145.33436
   60    56 S   CA   _C12    51     1.40425   121.18677    -1.27595
   61    33 S   CT   _C18    64     1.55549   117.35024   170.65313
   62    61 S   HC   _H5_    65     1.10434   102.90252  -158.50710
   63    58 S   NT   _N4_    66     1.48777   112.51782   -95.91162
   64    46 S   CA   _C13    52     1.37778   110.96533    14.95939
   65    60 S   OS   _O35    54     1.36492   126.22646  -177.98773
   66    63 S   CT   _C5_    67     1.46707   113.09414    59.85495
   67    66 S   HC   _H10    68     1.09678   111.29507   -69.73873
   68    66 S   HC   _H11    69     1.09735   109.56767   173.21447
   69    63 S   CT   _C4_    73     1.45877   113.60975   -68.90084
   70    69 S   HC   _H7_    74     1.09546   110.79251   -52.17936
   71    69 S   HC   _H8_    75     1.09592   110.09642  -169.57868
   72    69 S   HC   _H9_    76     1.09421   113.19358    69.84629
   73    65 S   CT   _C21    55     1.42235   116.63038     4.69882
   74    73 S   HC   _H19    56     1.09425   107.77159   177.91982
   75    73 S   HC   _H20    57     1.09422   111.07060    60.18891
   76    73 S   HC   _H21    58     1.09488   111.14106   -64.30862
  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   9   5   4   3
  15   7   2   1   1  10   4   9   4  14   6  18   8  17  12   6
   5  13  10   4  11   5   4   5   3  11   5   6   5   1   7   2
   4   6   2   1   3   2   1   1   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    58    61    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    46    53    58    59    61    62    63    47  
   38    39    40    44    58    61    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    58    61    62  
   40    41    42    61  
   41    42    43    44    46    64    45    61    47  
   42    43    44    45  
   43    44    46    50    60    64    45    58    61    62    66    47    48    49  
   44    46    64    45    61    47  
   46    50    51    60    64    45    53    58    59    61    62    63    66    67    68    47    48    49  
   65    61    47    46    50    56    60    64  
   50    51    52    56    60    64    65    53    54    55    58    61    62    66    47    48    49  
   48    49    69    50    58    61    62    63    64    66    67    68  
   49    61    63    66    67    68  
   61    63    66    67    68  
   51    52    56    57    60    64    53    54    55    58    59    61    63  
   52    56    57    60    64    65    53    54    55    58  
   56    57    60    53  
   54    55    58    59    61    62    63    66    69    56    64  
   55    58    59    61    63  
   58    59    61    63  
   57    60    64    65    73  
   60    64    65  
   59    61    62    63    66    67    68    69    70    71    72  
   61    62    63    66    69  
   64    65    73    74    75    76  
   62    63    66    69    64  
   63  
   66    67    68    69    70    71    72  
   65    73  
   73    74    75    76  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    61   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    45   320.000  1.410
   44    46   317.000  1.510
   44    61   268.000  1.529
   44    47   268.000  1.529
   46    50   490.000  1.398
   46    64   490.000  1.398
   50    51   469.000  1.400
   50    53   317.000  1.510
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    64   469.000  1.400
   60    65   450.000  1.364
   64    45   450.000  1.364
   65    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   382.000  1.448
   61    62   340.000  1.090
   63    66   382.000  1.448
   63    69   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    61    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    61    44    58.35000  112.70000
   33    61    58    58.35000  112.70000
   33    61    62    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    70.00000  112.02700
   40    42    45    85.00000  110.90400
   42    40    41    85.00000  112.85300
   42    44    46    70.00000  112.17500
   42    44    61    58.35000  112.70000
   42    44    47    58.35000  112.70000
   42    45    64    75.00000  111.00000
   44    42    43    37.50000  110.70000
   44    46    50    70.00000  120.00000
   44    46    64    70.00000  120.00000
   44    61    58    58.35000  112.70000
   44    61    62    37.50000  110.70000
   44    47    66    58.35000  112.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   46    50    51    70.00000  112.88000
   46    50    53    80.00000  105.07000
   46    64    60    70.00000  112.88000
   46    64    45    70.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    56    63.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    58    70.00000  112.17500
   51    56    57    35.00000  120.00000
   51    56    60    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    60    64    63.00000  120.00000
   56    60    65    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    64    45    70.00000  120.00000
   60    65    73    75.00000  111.00000
   64    46    50    60.00000  130.80000
   45    42    43    35.00000  109.50000
   45    42    44    50.00000  109.50000
   65    60    64    70.00000  120.00000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   53    50    51    70.00000  120.00000
   53    58    59    37.50000  110.70000
   53    58    61    58.35000  112.70000
   53    58    63    56.20000  109.47000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    63    66    51.80000  107.20000
   58    63    69    51.80000  107.20000
   61    33    34    37.50000  110.70000
   61    33    38    70.00000  112.02700
   61    44    46    70.00000  112.17500
   61    58    59    37.50000  110.70000
   63    58    59    35.00000  109.50000
   63    58    61    56.20000  109.47000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    47    56.20000  109.47000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    35.00000  109.50000
   66    47    48    37.50000  110.70000
   66    47    49    37.50000  110.70000
   68    66    67    33.00000  107.80000
   47    44    46    70.00000  112.17500
   47    44    61    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    66    68    37.50000  110.70000
   49    47    48    33.00000  107.80000
   69    63    66    51.80000  107.20000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    61    44   0.44750  1.0 1.0
   29    33    61    44  -0.17800 -1.0 2.0
   29    33    61    44   0.20200  1.0 3.0
   29    33    61    58   0.44750  1.0 1.0
   29    33    61    58  -0.17800 -1.0 2.0
   29    33    61    58   0.20200  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    61    44   0.15000  1.0 3.0
   34    33    61    58   0.15000  1.0 3.0
   34    33    61    62   0.15000  1.0 3.0
   38    33    61    44   0.34400  1.0 1.0
   38    33    61    44   0.09450 -1.0 2.0
   38    33    61    44   0.11100  1.0 3.0
   38    33    61    58   0.34400  1.0 1.0
   38    33    61    58   0.09450 -1.0 2.0
   38    33    61    58   0.11100  1.0 3.0
   38    33    61    62   0.15000  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    45   0.39000  1.0 1.0
   38    40    42    45  -0.05800 -1.0 2.0
   38    40    42    45  -0.55150  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    46   0.21200  1.0 1.0
   40    42    44    46   0.16900 -1.0 2.0
   40    42    44    46  -1.15100  1.0 3.0
   40    42    44    61   0.34400  1.0 1.0
   40    42    44    61   0.09450 -1.0 2.0
   40    42    44    61   0.11100  1.0 3.0
   40    42    44    47   0.34400  1.0 1.0
   40    42    44    47   0.09450 -1.0 2.0
   40    42    44    47   0.11100  1.0 3.0
   40    42    45    64  -0.25600  1.0 1.0
   40    42    45    64  -0.40050 -1.0 2.0
   40    42    45    64   0.34700  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.09700  1.0 1.0
   41    40    42    44   0.15600 -1.0 2.0
   41    40    42    44  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    44    46    50   0.04150 -1.0 2.0
   42    44   -46    64   0.04150 -1.0 2.0
   42    44   -61    33   0.56750  1.0 1.0
   42    44   -61    33  -0.07550 -1.0 2.0
   42    44   -61    33   0.20000  1.0 3.0
   42    44    61    58   0.56750  1.0 1.0
   42    44    61    58  -0.07550 -1.0 2.0
   42    44    61    58   0.20000  1.0 3.0
   42    44    61    62   0.15000  1.0 3.0
   42    44    47    66   0.56750  1.0 1.0
   42    44    47    66  -0.07550 -1.0 2.0
   42    44    47    66   0.20000  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   43    42    44    46   0.43200  1.0 3.0
   43    42    44    61   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    45    64   0.08050  1.0 3.0
   44    42   -45    64  -0.32850  1.0 1.0
   44    42   -45    64  -0.35800 -1.0 2.0
   44    42   -45    64   0.33950  1.0 3.0
   44    46    50    51   3.62500 -1.0 2.0
   44    46    50    53   3.62500 -1.0 2.0
   44    46    64    60   3.62500 -1.0 2.0
   44    46   -64    45   3.62500 -1.0 2.0
   46    44    61    33  -0.03700  1.0 1.0
   46    44    61    33   0.37200 -1.0 2.0
   46    44    61    33  -0.47300  1.0 3.0
   46    44    61    58  -0.03700  1.0 1.0
   46    44    61    58   0.37200 -1.0 2.0
   46    44    61    58  -0.47300  1.0 3.0
   46    44    61    62   0.43200  1.0 3.0
   46    44    47    66  -0.03700  1.0 1.0
   46    44    47    66   0.37200 -1.0 2.0
   46    44    47    66  -0.47300  1.0 3.0
   46    44    47    48   0.43200  1.0 3.0
   46    44    47    49   0.43200  1.0 3.0
   46    50    51    52   3.62500 -1.0 2.0
   46    50    51    56   3.62500 -1.0 2.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50   -53    58   0.04150 -1.0 2.0
   46    64   -45    42   1.63200 -1.0 2.0
   50    46    64    60   3.62500 -1.0 2.0
   50    46    64    45   3.62500 -1.0 2.0
   50    51    56    57   3.62500 -1.0 2.0
   50    51   -56    60   3.62500 -1.0 2.0
   50    53    58    59   0.43200  1.0 3.0
   50    53    58    61  -0.03700  1.0 1.0
   50    53    58    61   0.37200 -1.0 2.0
   50    53    58    61  -0.47300  1.0 3.0
   50    53    58    63   0.83750  1.0 1.0
   50    53    58    63   0.32200 -1.0 2.0
   50    53    58    63   0.70600  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    58   0.04150 -1.0 2.0
   51    56    60    64   3.62500 -1.0 2.0
   51    56    60    65   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    60   3.62500 -1.0 2.0
   56    60   -64    46   3.62500 -1.0 2.0
   56    60    64    45   3.62500 -1.0 2.0
   56    60    65    73   1.63200 -1.0 2.0
   57    56    60    64   3.62500 -1.0 2.0
   57    56    60    65   3.62500 -1.0 2.0
   60    64    45    42   1.63200 -1.0 2.0
   60    65    73    74   0.08050  1.0 3.0
   60    65    73    75   0.08050  1.0 3.0
   60    65    73    76   0.08050  1.0 3.0
   64    46   -50    51   3.62500 -1.0 2.0
   64    46    50    53   3.62500 -1.0 2.0
   64    60    65    73   1.63200 -1.0 2.0
   45    42   -44    46  -0.64350  1.0 1.0
   45    42   -44    46  -0.04200 -1.0 2.0
   45    42   -44    46   0.19800  1.0 3.0
   45    42    44    61   0.62750  1.0 1.0
   45    42    44    61  -0.30950 -1.0 2.0
   45    42    44    61   0.27300  1.0 3.0
   45    42    44    47   0.62750  1.0 1.0
   45    42    44    47  -0.30950 -1.0 2.0
   45    42    44    47   0.27300  1.0 3.0
   65    60    64    46   3.62500 -1.0 2.0
   65    60    64    45   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50    51    56   3.62500 -1.0 2.0
   53    58    61    33   0.56750  1.0 1.0
   53    58    61    33  -0.07550 -1.0 2.0
   53    58    61    33   0.20000  1.0 3.0
   53    58   -61    44   0.56750  1.0 1.0
   53    58   -61    44  -0.07550 -1.0 2.0
   53    58   -61    44   0.20000  1.0 3.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    63    66   0.23450  1.0 1.0
   53    58    63    66   0.02050 -1.0 2.0
   53    58    63    66   0.25250  1.0 3.0
   53    58    63    69   0.58650  1.0 1.0
   53    58    63    69   0.12600 -1.0 2.0
   53    58    63    69   0.33350  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   58    63    66    67   0.28000  1.0 3.0
   58    63    66    68   0.28000  1.0 3.0
   58    63    66    47   0.23450  1.0 1.0
   58    63    66    47   0.02050 -1.0 2.0
   58    63    66    47   0.25250  1.0 3.0
   58    63    69    70   0.28000  1.0 3.0
   58    63    69    71   0.28000  1.0 3.0
   58    63    69    72   0.28000  1.0 3.0
   59    58    61    33   0.15000  1.0 3.0
   59    58    61    44   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    63    66   0.28000  1.0 3.0
   59    58    63    69   0.28000  1.0 3.0
   61    33    38    39   0.00000  1.0 1.0
   61    33   -38    40   0.09850  1.0 1.0
   61    33   -38    40   0.15250 -1.0 2.0
   61    33   -38    40  -0.50650  1.0 3.0
   61    44   -46    50   0.04150 -1.0 2.0
   61    44    46    64   0.04150 -1.0 2.0
   61    44    47    66   0.56750  1.0 1.0
   61    44    47    66  -0.07550 -1.0 2.0
   61    44    47    66   0.20000  1.0 3.0
   61    44    47    48   0.15000  1.0 3.0
   61    44    47    49   0.15000  1.0 3.0
   61    58   -63    66   0.23450  1.0 1.0
   61    58   -63    66   0.02050 -1.0 2.0
   61    58   -63    66   0.25250  1.0 3.0
   61    58    63    69   0.58650  1.0 1.0
   61    58    63    69   0.12600 -1.0 2.0
   61    58    63    69   0.33350  1.0 3.0
   63    58    61    33   1.53400  1.0 1.0
   63    58    61    33  -0.09950 -1.0 2.0
   63    58    61    33   0.05700  1.0 3.0
   63    58    61    44   1.53400  1.0 1.0
   63    58    61    44  -0.09950 -1.0 2.0
   63    58    61    44   0.05700  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    66   -47    44   1.53400  1.0 1.0
   63    66   -47    44  -0.09950 -1.0 2.0
   63    66   -47    44   0.05700  1.0 3.0
   63    66    47    48   0.15000  1.0 3.0
   63    66    47    49   0.15000  1.0 3.0
   66    63    69    70   0.28000  1.0 3.0
   66    63    69    71   0.28000  1.0 3.0
   66    63    69    72   0.28000  1.0 3.0
   67    66    47    44   0.15000  1.0 3.0
   67    66    47    48   0.15000  1.0 3.0
   67    66    47    49   0.15000  1.0 3.0
   68    66    47    44   0.15000  1.0 3.0
   68    66    47    48   0.15000  1.0 3.0
   68    66    47    49   0.15000  1.0 3.0
   47    44    46    50   0.04150 -1.0 2.0
   47    44    46    64   0.04150 -1.0 2.0
   47    44    61    33   0.56750  1.0 1.0
   47    44    61    33  -0.07550 -1.0 2.0
   47    44    61    33   0.20000  1.0 3.0
   47    44   -61    58   0.56750  1.0 1.0
   47    44   -61    58  -0.07550 -1.0 2.0
   47    44   -61    58   0.20000  1.0 3.0
   47    44    61    62   0.15000  1.0 3.0
   69    63    66    67   0.28000  1.0 3.0
   69    63    66    68   0.28000  1.0 3.0
   69    63    66    47   0.58650  1.0 1.0
   69    63    66    47   0.12600 -1.0 2.0
   69    63    66    47   0.33350  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   50    64    46    44   4.00000 -1.0 2.0
   51    53    50    46   4.00000 -1.0 2.0
   56    52    51    50   1.10000 -1.0 2.0
   60    57    56    51   1.10000 -1.0 2.0
   64    65    60    56   4.00000 -1.0 2.0
   60    45    64    46   4.00000 -1.0 2.0
END
