* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    230     437
    1     0 S   NP   _N1_     1    28.87899    93.43789   -20.70615
    2     1 S   H    _HN1     2     1.02786    82.70990   -83.82004
    3     1 S   H    _H1_     3     1.02960   101.99860    23.38491
    4     1 S   H    _H2_     4     1.02844    29.30245   127.01846
    5     1 S   CT   _CA1     5     1.50090   136.49477   161.46223
    6     5 S   HC   _HA1     6     1.09561   105.34563    42.30389
    7     5 S   CO3  _C1_     7     1.53878   112.15564   -78.20800
    8     7 S   O2Z  _O11     8     1.26421   115.08276   -48.52732
    9     7 S   O2Z  _O12     9     1.26217   114.92440   130.76474
   10     5 S   CT   _CB1    10     1.53068   107.45197   160.40075
   11    10 S   HC   HB11    11     1.09822   109.74534   -48.70190
   12    10 S   HC   HB12    12     1.09838   110.17990    67.86338
   13    10 S   CT   _CG1    13     1.53075   112.65670  -169.75249
   14    13 S   HC   HG11    14     1.09573   110.41623   -54.82210
   15    13 S   HC   HG12    15     1.09595   110.25806    64.45406
   16    13 S   C    _CD1    16     1.51754   111.78393  -175.08817
   17    16 S   O    _OE1    17     1.22748   123.08043   -12.95348
   18    16 S   N    _N2_    18     1.38606   111.83320   166.87023
   19    18 S   H    _HN2    19     1.01563   119.22064     4.34920
   20    18 S   CT1  _CA2    20     1.46262   123.08434  -172.46329
   21    20 S   HC   _HA2    21     1.09726   109.35054   -11.21164
   22    20 S   C    _C2_    22     1.53291   108.66281  -127.28706
   23    22 S   O    _O2_    23     1.23015   122.23282  -145.73155
   24    20 S   CT   _CB2    32     1.53744   111.21656   110.32646
   25    24 S   HC   HB21    33     1.09191   109.29142    62.01703
   26    24 S   HC   HB22    34     1.09509   109.87889  -179.89165
   27    22 S   N    _N3_    24     1.38507   113.36367    41.59054
   28    27 S   H    _HN3    25     1.01527   118.88006    -0.47188
   29    24 S   S    _SG2    35     1.82989   111.18913   -60.26571
   30    27 S   CT   _CA3    26     1.45443   123.39562   175.14276
   31    30 S   HC   HA31    27     1.09528   109.15833    25.80900
   32    30 S   HC   HA32    28     1.09493   107.13900   142.79925
   33    29 S   CT   _C15    36     1.88622   103.40464   159.77863
   34    30 S   CO3  _C3_    29     1.52931   113.17907   -97.61467
   35    34 S   O2Z  _O31    30     1.26397   115.43042   -43.93994
   36    34 S   O2Z  _O32    31     1.26360   114.96631   137.00823
   37    33 S   CM   _C13    37     1.54761   106.15344   164.19006
   38    33 S   CT   _C10    48     1.58537   114.47926   -85.67117
   39    33 S   CT   _C16    73     1.53946   107.94696    42.31198
   40    39 S   HC   _H18    74     1.09524   111.47676   -78.57666
   41    39 S   HC   _H19    75     1.09270   112.60627   161.45055
   42    39 S   HC   _H20    76     1.09613   112.50483    42.29655
   43    37 S   CT   _C12    38     1.53533   110.12338   112.77456
   44    43 S   HC   _H5_    39     1.09400   111.63223  -139.28449
   45    43 S   CT   _C11    49     1.54446   103.14758   -21.31247
   46    45 S   HC   _H4_    50     1.09981   109.75915   156.04724
   47    38 S   CT   _C18    56     1.53576   116.10956    43.27961
   48    47 S   HC   _H24    57     1.09182   113.30409   -56.75787
   49    47 S   HC   _H25    58     1.09666   110.69516  -176.14390
   50    47 S   HC   _H26    59     1.09494   111.00081    65.10834
   51    37 S   CMA  _C14    70     1.35327   127.74327   -66.51077
   52    51 S   OM   _O33    71     1.25907   133.58802    -1.36344
   53    51 S   HC   _H17    72     1.09108   111.99093   178.41699
   54    43 S   CT   _C7_    40     1.55892   112.67561    94.80827
   55    54 S   HC   _H3_    41     1.10039   106.80492  -167.59587
   56    45 S   CT   _C17    51     1.53431   112.74569   -86.79347
   57    56 S   HC   _H21    52     1.09269   111.23705   166.82325
   58    56 S   HC   _H22    53     1.09051   113.54026    42.83656
   59    54 S   CT   _C8_    42     1.54471   110.10923   -52.01492
   60    59 S   HC   _H13    43     1.09692   109.91127  -159.79701
   61    59 S   HC   _H14    44     1.09485   109.35941    84.88981
   62    56 S   OH   _O34    54     1.42850   108.49450   -75.61365
   63    62 S   HO   _H23    55     0.97601   106.72216  -167.78888
   64    54 S   CT   _C5_    60     1.55994   114.68056    75.03154
   65    64 S   HC   _H9_    61     1.09607   109.40754   -62.40527
   66    59 S   CT   _C9_    45     1.53635   114.19042   -38.38737
   67    66 S   HC   _H15    46     1.09698   109.09093   162.77395
   68    66 S   HC   _H16    47     1.09965   107.04992   -83.85203
   69    64 S   CT   _C4_    62     1.53403   112.08734    57.41704
   70    69 S   HC   _H6_    63     1.09525   111.14629    55.50561
   71    69 S   HC   _H7_    64     1.09298   111.89194   -65.62180
   72    69 S   HC   _H8_    65     1.09567   110.82582   175.45308
   73    64 S   CT   _C6_    66     1.53591   111.92966   179.23895
   74    73 S   HC   _H10    67     1.09521   111.21203   -55.73387
   75    73 S   HC   _H11    68     1.09564   110.86845  -175.84541
   76    73 S   HC   _H12    69     1.09414   111.49403    65.33746
  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  12   5   4   3
  23   2   1   1  19  24   8   2   1   1  21   8  18   7   8   3
   2   1   3   1   1  18   8   5   3   2   9   5   4   1   1  10
   8   2   1   1   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    66    38    45    47    51    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    54    59    66    67    68    38    45    46    56    47    48    49    50    51    52    53    39    40    41    42  
   35    36  
   36  
    0  
   43    44    54    55    59    66    38    45    46    56    47    64    51    52    53    39    40    41    42  
   45    46    56    57    58    62    47    48    49    50    51    39    40    41    42    43    44    54    59    60    61    66    67    68  
   40    41    42    43    45    47    51    66  
   41    42  
   42  
    0  
   44    54    55    59    60    61    66    45    46    56    57    58    62    47    64    65    69    73    51    52    53  
   54    55    59    45    46    56    64    51  
   46    56    57    58    62    63    47    48    49    50    64    51    54    55    59    66    67    68  
   56    57    58    62    47    54    66  
   48    49    50    56    59    66    67    68  
   49    50    66  
   50    66  
   66  
   52    53    54  
   53  
    0  
   55    59    60    61    66    67    68    56    64    65    69    70    71    72    73    74    75    76  
   59    60    61    66    64    65    69    73  
   57    58    62    63    66  
   58    62    63  
   62    63  
   60    61    66    67    68    64    65    69    73  
   61    66    67    68    64  
   66    67    68    64  
   63  
    0  
   65    69    70    71    72    73    74    75    76    66  
   69    70    71    72    73    74    75    76  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    39   268.000  1.529
   37    43   317.000  1.510
   37    51   465.000  1.376
   43    44   340.000  1.090
   43    54   268.000  1.529
   43    45   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    64   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    38   268.000  1.529
   38    45   268.000  1.529
   38    47   268.000  1.529
   45    46   340.000  1.090
   45    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   320.000  1.410
   62    63   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    73   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   51    52   745.000  1.250
   51    53   335.000  1.111
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    43    65.00000  117.92700
   33    37    51    70.00000  124.00000
   33    38    66    58.35000  112.70000
   33    38    45    58.35000  112.70000
   33    38    47    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    35.00000  109.50000
   37    43    54    70.00000  112.02700
   37    43    45    70.00000  112.02700
   37    51    52    65.00000  137.10300
   37    51    53    45.00000  105.30000
   43    54    55    37.50000  110.70000
   43    54    59    58.35000  112.70000
   43    54    64    58.35000  112.70000
   43    45    38    58.35000  112.70000
   43    45    46    37.50000  110.70000
   43    45    56    58.35000  112.70000
   54    43    44    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    66    58.35000  112.70000
   54    64    65    37.50000  110.70000
   54    64    69    58.35000  112.70000
   54    64    73    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    38    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    38    45    58.35000  112.70000
   66    38    47    58.35000  112.70000
   68    66    67    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    66    67    37.50000  110.70000
   38    66    68    37.50000  110.70000
   38    45    46    37.50000  110.70000
   38    45    56    58.35000  112.70000
   38    47    48    37.50000  110.70000
   38    47    49    37.50000  110.70000
   38    47    50    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    43    54    58.35000  112.70000
   45    56    57    37.50000  110.70000
   45    56    58    37.50000  110.70000
   45    56    62    50.00000  109.50000
   56    45    46    37.50000  110.70000
   56    62    63    55.00000  108.50000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   47    38    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    59    58.35000  112.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   64    73    74    37.50000  110.70000
   64    73    75    37.50000  110.70000
   64    73    76    37.50000  110.70000
   69    64    65    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    64    65    37.50000  110.70000
   73    64    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   51    37    43    70.00000  124.00000
   53    51    52    50.00000  124.16400
   39    33    37    70.00000  112.02700
   39    33    38    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    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    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    37    51   0.42700  1.0 1.0
   29    33    37    51  -0.70350 -1.0 2.0
   29    33    37    51  -0.43150  1.0 3.0
   29    33    38    66   0.44750  1.0 1.0
   29    33    38    66  -0.17800 -1.0 2.0
   29    33    38    66   0.20200  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    38    47   0.44750  1.0 1.0
   29    33    38    47  -0.17800 -1.0 2.0
   29    33    38    47   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    54   0.46850  1.0 1.0
   33    37    43    54   0.08550 -1.0 2.0
   33    37    43    54   0.09800  1.0 3.0
   33    37   -43    45   0.46850  1.0 1.0
   33    37   -43    45   0.08550 -1.0 2.0
   33    37   -43    45   0.09800  1.0 3.0
   33    37    51    52   7.00000 -1.0 2.0
   33    37    51    53   7.00000 -1.0 2.0
   33    38   -45    43   0.56750  1.0 1.0
   33    38   -45    43  -0.07550 -1.0 2.0
   33    38   -45    43   0.20000  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    56   0.56750  1.0 1.0
   33    38    45    56  -0.07550 -1.0 2.0
   33    38    45    56   0.20000  1.0 3.0
   33    38    47    48   0.15000  1.0 3.0
   33    38    47    49   0.15000  1.0 3.0
   33    38    47    50   0.15000  1.0 3.0
   37    33    38    66   0.34400  1.0 1.0
   37    33    38    66   0.09450 -1.0 2.0
   37    33    38    66   0.11100  1.0 3.0
   37    33   -38    45   0.34400  1.0 1.0
   37    33   -38    45   0.09450 -1.0 2.0
   37    33   -38    45   0.11100  1.0 3.0
   37    33    38    47   0.34400  1.0 1.0
   37    33    38    47   0.09450 -1.0 2.0
   37    33    38    47   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    54    55   0.15000  1.0 3.0
   37    43    54    59   0.34400  1.0 1.0
   37    43    54    59   0.09450 -1.0 2.0
   37    43    54    59   0.11100  1.0 3.0
   37    43    54    64   0.34400  1.0 1.0
   37    43    54    64   0.09450 -1.0 2.0
   37    43    54    64   0.11100  1.0 3.0
   37    43   -45    38   0.34400  1.0 1.0
   37    43   -45    38   0.09450 -1.0 2.0
   37    43   -45    38   0.11100  1.0 3.0
   37    43    45    46   0.15000  1.0 3.0
   37    43    45    56   0.34400  1.0 1.0
   37    43    45    56   0.09450 -1.0 2.0
   37    43    45    56   0.11100  1.0 3.0
   43    37    51    52   7.00000 -1.0 2.0
   43    37    51    53   7.00000 -1.0 2.0
   43    54    59    60   0.15000  1.0 3.0
   43    54    59    61   0.15000  1.0 3.0
   43    54    59    66   0.56750  1.0 1.0
   43    54    59    66  -0.07550 -1.0 2.0
   43    54    59    66   0.20000  1.0 3.0
   43    54    64    65   0.15000  1.0 3.0
   43    54    64    69   0.56750  1.0 1.0
   43    54    64    69  -0.07550 -1.0 2.0
   43    54    64    69   0.20000  1.0 3.0
   43    54    64    73   0.56750  1.0 1.0
   43    54    64    73  -0.07550 -1.0 2.0
   43    54    64    73   0.20000  1.0 3.0
   43    45    56    57   0.15000  1.0 3.0
   43    45    56    58   0.15000  1.0 3.0
   43    45    56    62   0.86500  1.0 1.0
   43    45    56    62  -0.17500 -1.0 2.0
   43    45    56    62   0.20800  1.0 3.0
   44    43    54    55   0.15000  1.0 3.0
   44    43    54    59   0.15000  1.0 3.0
   44    43    54    64   0.15000  1.0 3.0
   44    43    45    38   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    56   0.15000  1.0 3.0
   54    43    45    38   0.56750  1.0 1.0
   54    43    45    38  -0.07550 -1.0 2.0
   54    43    45    38   0.20000  1.0 3.0
   54    43    45    46   0.15000  1.0 3.0
   54    43    45    56   0.56750  1.0 1.0
   54    43    45    56  -0.07550 -1.0 2.0
   54    43    45    56   0.20000  1.0 3.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59   -66    38   0.56750  1.0 1.0
   54    59   -66    38  -0.07550 -1.0 2.0
   54    59   -66    38   0.20000  1.0 3.0
   54    64    69    70   0.15000  1.0 3.0
   54    64    69    71   0.15000  1.0 3.0
   54    64    69    72   0.15000  1.0 3.0
   54    64    73    74   0.15000  1.0 3.0
   54    64    73    75   0.15000  1.0 3.0
   54    64    73    76   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    69   0.15000  1.0 3.0
   55    54    64    73   0.15000  1.0 3.0
   59    54    64    65   0.15000  1.0 3.0
   59    54    64    69   0.56750  1.0 1.0
   59    54    64    69  -0.07550 -1.0 2.0
   59    54    64    69   0.20000  1.0 3.0
   59    54    64    73   0.56750  1.0 1.0
   59    54    64    73  -0.07550 -1.0 2.0
   59    54    64    73   0.20000  1.0 3.0
   59    66    38    33   0.56750  1.0 1.0
   59    66    38    33  -0.07550 -1.0 2.0
   59    66    38    33   0.20000  1.0 3.0
   59    66    38    45   0.56750  1.0 1.0
   59    66    38    45  -0.07550 -1.0 2.0
   59    66    38    45   0.20000  1.0 3.0
   59    66    38    47   0.56750  1.0 1.0
   59    66    38    47  -0.07550 -1.0 2.0
   59    66    38    47   0.20000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    38   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    38   0.15000  1.0 3.0
   66    38   -45    43   0.56750  1.0 1.0
   66    38   -45    43  -0.07550 -1.0 2.0
   66    38   -45    43   0.20000  1.0 3.0
   66    38    45    46   0.15000  1.0 3.0
   66    38    45    56   0.56750  1.0 1.0
   66    38    45    56  -0.07550 -1.0 2.0
   66    38    45    56   0.20000  1.0 3.0
   66    38    47    48   0.15000  1.0 3.0
   66    38    47    49   0.15000  1.0 3.0
   66    38    47    50   0.15000  1.0 3.0
   67    66    38    33   0.15000  1.0 3.0
   67    66    38    45   0.15000  1.0 3.0
   67    66    38    47   0.15000  1.0 3.0
   68    66    38    33   0.15000  1.0 3.0
   68    66    38    45   0.15000  1.0 3.0
   68    66    38    47   0.15000  1.0 3.0
   38    33   -37    43   0.46850  1.0 1.0
   38    33   -37    43   0.08550 -1.0 2.0
   38    33   -37    43   0.09800  1.0 3.0
   38    33    37    51   0.09850  1.0 1.0
   38    33    37    51   0.15250 -1.0 2.0
   38    33    37    51  -0.50650  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    45    56    57   0.15000  1.0 3.0
   38    45    56    58   0.15000  1.0 3.0
   38    45    56    62   0.86500  1.0 1.0
   38    45    56    62  -0.17500 -1.0 2.0
   38    45    56    62   0.20800  1.0 3.0
   45    43    54    55   0.15000  1.0 3.0
   45    43   -54    59   0.56750  1.0 1.0
   45    43   -54    59  -0.07550 -1.0 2.0
   45    43   -54    59   0.20000  1.0 3.0
   45    43    54    64   0.56750  1.0 1.0
   45    43    54    64  -0.07550 -1.0 2.0
   45    43    54    64   0.20000  1.0 3.0
   45    38    47    48   0.15000  1.0 3.0
   45    38    47    49   0.15000  1.0 3.0
   45    38    47    50   0.15000  1.0 3.0
   45    56    62    63  -0.11600  1.0 1.0
   45    56    62    63  -0.09450 -1.0 2.0
   45    56    62    63   0.21250  1.0 3.0
   46    45    56    57   0.15000  1.0 3.0
   46    45    56    58   0.15000  1.0 3.0
   46    45    56    62   0.23400  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   58    56    62    63   0.19450  1.0 3.0
   47    38    45    43   0.56750  1.0 1.0
   47    38    45    43  -0.07550 -1.0 2.0
   47    38    45    43   0.20000  1.0 3.0
   47    38    45    46   0.15000  1.0 3.0
   47    38    45    56   0.56750  1.0 1.0
   47    38    45    56  -0.07550 -1.0 2.0
   47    38    45    56   0.20000  1.0 3.0
   64    54    59    60   0.15000  1.0 3.0
   64    54    59    61   0.15000  1.0 3.0
   64    54    59    66   0.56750  1.0 1.0
   64    54    59    66  -0.07550 -1.0 2.0
   64    54    59    66   0.20000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    75   0.15000  1.0 3.0
   65    64    73    76   0.15000  1.0 3.0
   69    64    73    74   0.15000  1.0 3.0
   69    64    73    75   0.15000  1.0 3.0
   69    64    73    76   0.15000  1.0 3.0
   73    64    69    70   0.15000  1.0 3.0
   73    64    69    71   0.15000  1.0 3.0
   73    64    69    72   0.15000  1.0 3.0
   51    37    43    44   0.00000  1.0 1.0
   51    37    43    54   0.09850  1.0 1.0
   51    37    43    54   0.15250 -1.0 2.0
   51    37    43    54  -0.50650  1.0 3.0
   51    37    43    45   0.09850  1.0 1.0
   51    37    43    45   0.15250 -1.0 2.0
   51    37    43    45  -0.50650  1.0 3.0
   39    33    37    43   0.46850  1.0 1.0
   39    33    37    43   0.08550 -1.0 2.0
   39    33    37    43   0.09800  1.0 3.0
   39    33    37    51   0.09850  1.0 1.0
   39    33    37    51   0.15250 -1.0 2.0
   39    33    37    51  -0.50650  1.0 3.0
   39    33    38    66   0.56750  1.0 1.0
   39    33    38    66  -0.07550 -1.0 2.0
   39    33    38    66   0.20000  1.0 3.0
   39    33    38    45   0.56750  1.0 1.0
   39    33    38    45  -0.07550 -1.0 2.0
   39    33    38    45   0.20000  1.0 3.0
   39    33    38    47   0.56750  1.0 1.0
   39    33    38    47  -0.07550 -1.0 2.0
   39    33    38    47   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    51   1.10000 -1.0 2.0
   52    53    51    37   1.10000 -1.0 2.0
END
