* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    219     427
    1     0 S   NP   _N1_     1    28.92336    95.19836   -19.43105
    2     1 S   H    _HN1     2     1.02778    72.89493   -81.33018
    3     1 S   H    _H1_     3     1.02966    95.57916    26.19029
    4     1 S   H    _H2_     4     1.02823    42.93068   135.27164
    5     1 S   CT   _CA1     5     1.50247   149.09307   173.77698
    6     5 S   HC   _HA1     6     1.09535   105.20559    32.56872
    7     5 S   CO3  _C1_     7     1.54043   112.12128   -87.83545
    8     7 S   O2Z  _O11     8     1.26392   115.18264   -37.27803
    9     7 S   O2Z  _O12     9     1.26289   115.65594   141.55682
   10     5 S   CT   _CB1    10     1.53216   107.35196   151.14274
   11    10 S   HC   HB11    11     1.09813   110.31540   -38.91106
   12    10 S   HC   HB12    12     1.09829   110.06412    77.96723
   13    10 S   CT   _CG1    13     1.53037   112.44745  -159.63274
   14    13 S   HC   HG11    14     1.09268   110.35314   -48.14190
   15    13 S   HC   HG12    15     1.09618   110.12843    70.21555
   16    13 S   C    _CD1    16     1.51963   111.74725  -169.92588
   17    16 S   O    _OE1    17     1.22813   122.72433   -24.65487
   18    16 S   N    _N2_    18     1.38468   112.20445   156.57524
   19    18 S   H    _HN2    19     1.01841   118.54819     2.11072
   20    18 S   CT1  _CA2    20     1.46287   123.77985  -177.14837
   21    20 S   HC   _HA2    21     1.09706   109.09110   -20.28973
   22    20 S   C    _C2_    22     1.53553   108.57871  -136.25377
   23    22 S   O    _O2_    23     1.23077   122.12837  -151.19828
   24    20 S   CT   _CB2    32     1.53772   111.92183   102.06755
   25    24 S   HC   HB21    33     1.09407   109.46984    54.97133
   26    24 S   HC   HB22    34     1.09499   110.53369   173.39598
   27    22 S   N    _N3_    24     1.38414   113.70623    36.17119
   28    27 S   H    _HN3    25     1.01533   118.93425    -1.85034
   29    24 S   S    _SG2    35     1.82714   112.82442   -66.48190
   30    27 S   CT   _CA3    26     1.45373   123.23902   176.09340
   31    30 S   HC   HA31    27     1.09552   108.83676    31.05147
   32    30 S   HC   HA32    28     1.09491   107.20193   147.90077
   33    29 S   CT   _C6_    36     1.83608    99.53891   160.39101
   34    33 S   HC   _H3_    37     1.09578   107.08067   -43.86086
   35    30 S   CO3  _C3_    29     1.52917   113.43943   -92.21595
   36    35 S   O2Z  _O31    30     1.26391   115.58494   -42.98672
   37    35 S   O2Z  _O32    31     1.26401   114.91869   138.01140
   38    33 S   CO4  _C5_    38     1.51771   110.38416    74.06311
   39    38 S   O    _O34    39     1.22359   125.93860    22.40650
   40    33 S   CT   _C7_    45     1.53374   110.58319  -164.30401
   41    40 S   HC   _H9_    46     1.09776   110.44875  -170.74519
   42    40 S   HC   _H10    47     1.09720   111.64493   -53.19962
   43    38 S   OS   _O33    40     1.36839   108.91860  -158.93066
   44    40 S   C    _C8_    48     1.51659   111.75622    69.25289
   45    44 S   O    _O35    49     1.22864   121.61376  -104.87663
   46    43 S   CT   _C4_    41     1.43063   115.18734  -178.71702
   47    46 S   HC   _H6_    42     1.09326   108.09543  -179.68973
   48    46 S   HC   _H7_    43     1.09417   110.26600    61.65988
   49    46 S   HC   _H8_    44     1.09423   110.32009   -60.97548
   50    44 S   N    _N4_    50     1.38555   113.14600    73.36347
   51    50 S   H    _H11    51     1.01563   119.28244     9.99361
   52    50 S   CT   _C9_    52     1.45562   122.30575  -169.71319
   53    52 S   HC   _H12    53     1.09519   109.32083     7.03160
   54    52 S   HC   _H13    54     1.09558   106.83826  -109.27116
   55    52 S   CT1  _C10    55     1.53162   111.69083   130.06642
   56    55 S   HC   _H4_    56     1.09604   110.23954    67.88529
   57    55 S   C    _C11    57     1.52268   112.90807   -55.23881
   58    57 S   O    _O36    58     1.22733   122.52732   -20.93933
   59    55 S   NP   _N6_    80     1.49450   108.43320  -175.75190
   60    59 S   H    _H22    81     1.03522   111.19417    66.14217
   61    59 S   H    _H23    82     1.02783   112.40307   -54.45964
   62    59 S   H    _H24    83     1.02869   111.52475  -175.55719
   63    57 S   N    _N5_    59     1.38498   112.91801   159.74237
   64    63 S   H    _H14    60     1.01504   119.97911     4.88716
   65    63 S   CT1  _C12    61     1.46301   122.17939   177.38184
   66    65 S   HC   _H5_    62     1.09540   107.76321    28.81007
   67    65 S   CO3  _C20    63     1.53878   111.13509   -89.32048
   68    67 S   O2Z  _O38    64     1.26383   115.53226   -61.68720
   69    67 S   O2Z  _O37    65     1.26453   114.67771   117.59996
   70    65 S   CT   _C13    66     1.53299   111.56562   149.12457
   71    70 S   HC   _H15    67     1.09836   110.45863   165.85920
   72    70 S   HC   _H16    68     1.09819   110.95955    49.07060
   73    70 S   CA   _C14    69     1.51125   111.78780   -73.39520
   74    73 S   CA   _C15    70     1.40205   120.18770   -82.57222
   75    74 S   HA   _H17    71     1.08746   120.28816    -1.11768
   76    74 S   CA   _C16    72     1.39507   120.48903   178.57316
   77    76 S   HA   _H18    73     1.08628   119.91295  -179.87180
   78    76 S   CA   _C17    74     1.39328   119.99026     0.12195
   79    78 S   HA   _H19    75     1.08600   119.99576   179.74359
   80    78 S   CA   _C18    76     1.39377   120.00193    -0.33396
   81    80 S   HA   _H20    77     1.08623   119.94954  -179.81337
   82    73 S   CA   _C19    78     1.40091   120.74047    95.75952
   83    82 S   HA   _H21    79     1.08691   120.40360     1.25273
  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
  11   7   2   1   1  10   3   8   4   3   4   7   3   3   2   1
   1   8   4  11   5   4  10   7  11   4   4   2   1   1  10   4
  10   7   6   2   1   9   4   3   9   8   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    40    41    42    44    45    50  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    46    47    48    49    40    41    42    44  
   43    46    40  
   41    42    44    45    50    51    52    43  
   42    44    45    50  
   44    45    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    59  
   52    53    54    55  
   53    54    55    56    57    58    63    59    60    61    62  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    63    64    65    59    60    61    62  
   57    58    63    59    60    61    62  
   58    63    64    65    66    67    70    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    72    73  
   65    66    67    70  
   66    67    68    69    70    71    72    73    74    82  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73    74    75    76    80    82    83  
   72    73    74    82  
   73    74    82  
   74    75    76    77    78    80    81    82    83  
   75    76    77    78    79    80    82    83  
   76    77    78    82  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83  
   82    83  
   83  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   214.000  1.327
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    50   490.000  1.335
   50    51   434.000  1.010
   50    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    59   367.000  1.471
   57    58   570.000  1.229
   57    63   490.000  1.335
   63    64   434.000  1.010
   63    65   337.000  1.449
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    70   268.000  1.529
   67    68   656.000  1.250
   67    69   656.000  1.250
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   469.000  1.400
   73    82   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   59    60   434.000  1.010
   59    61   434.000  1.010
   59    62   434.000  1.010
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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    46    83.00000  116.90000
   43    38    39    83.00000  123.40000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    80.00000  120.40000
   40    44    50    70.00000  116.60000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    50    51    35.00000  119.80000
   44    50    52    50.00000  121.90000
   50    44    45    80.00000  122.90000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    70.00000  110.72300
   52    50    51    38.00000  118.40000
   52    55    56    37.50000  110.70000
   52    55    57    63.00000  111.10000
   52    55    59    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    80.00000  120.40000
   55    57    63    70.00000  116.60000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   57    55    56    35.00000  109.50000
   57    63    64    35.00000  119.80000
   57    63    65    50.00000  121.90000
   63    57    58    80.00000  122.90000
   63    65    66    35.00000  109.50000
   63    65    67    63.00000  110.10000
   63    65    70    80.00000  109.70000
   65    63    64    38.00000  118.40000
   65    67    68    70.00000  117.00000
   65    67    69    70.00000  117.00000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    63.00000  114.00000
   67    65    66    35.00000  109.50000
   69    67    68    80.00000  126.00000
   70    65    66    37.50000  110.70000
   70    65    67    63.00000  111.10000
   70    73    74    70.00000  120.00000
   70    73    82    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    82    80    63.00000  120.00000
   73    82    83    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   82    73    74    63.00000  120.00000
   82    80    81    35.00000  120.00000
   59    55    56    35.00000  109.50000
   59    55    57    80.00000  111.20000
   61    59    60    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    43   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    46   1.63150  1.0 1.0
   33    38    43    46   2.92000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    50   1.39750  1.0 1.0
   33    40    44    50  -0.07950 -1.0 2.0
   33    40    44    50  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    43    46    47   0.08050  1.0 3.0
   38    43    46    48   0.08050  1.0 3.0
   38    43    46    49   0.08050  1.0 3.0
   39    38    43    46   3.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.36750  1.0 3.0
   40    44    50    51   2.45000 -1.0 2.0
   40    44    50    52   1.49850  1.0 1.0
   40    44    50    52   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50   0.00000  1.0 1.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.00000  1.0 1.0
   44    50    52    55  -0.43950  1.0 1.0
   44    50    52    55  -0.08100 -1.0 2.0
   44    50    52    55   0.03350  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   3.04450 -1.0 2.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57  -2.10200  1.0 1.0
   50    52    55    57  -0.31600 -1.0 2.0
   50    52    55    57   0.13050  1.0 3.0
   50    52    55    59   3.05550  1.0 1.0
   50    52    55    59   2.44300 -1.0 2.0
   50    52    55    59   0.51100  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    63   0.93250  1.0 1.0
   52    55    57    63   0.04450 -1.0 2.0
   52    55    57    63   0.17550  1.0 3.0
   52    55    59    60   0.17350  1.0 3.0
   52    55    59    61   0.17350  1.0 3.0
   52    55    59    62   0.17350  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57  -0.03800  1.0 3.0
   53    52    55    59   0.23200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57  -0.03800  1.0 3.0
   54    52    55    59   0.23200  1.0 3.0
   55    57    63    64   2.45000 -1.0 2.0
   55    57    63    65   1.15000  1.0 1.0
   55    57    63    65   3.04450 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    63   0.00000  1.0 1.0
   56    55    59    60   0.13050  1.0 3.0
   56    55    59    61   0.13050  1.0 3.0
   56    55    59    62   0.13050  1.0 3.0
   57    55    59    60   0.17350  1.0 3.0
   57    55    59    61   0.17350  1.0 3.0
   57    55    59    62   0.17350  1.0 3.0
   57    63    65    66   0.00000  1.0 1.0
   57    63    65    67  -0.29800  1.0 1.0
   57    63    65    67   0.13950 -1.0 2.0
   57    63    65    67  -2.45650  1.0 3.0
   57    63    65    70   0.25950  1.0 1.0
   57    63    65    70   0.43850 -1.0 2.0
   57    63    65    70   2.61650  1.0 3.0
   58    57    63    64   2.45000 -1.0 2.0
   58    57    63    65   3.04450 -1.0 2.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.00000  1.0 1.0
   63    65    70    71   0.23200  1.0 3.0
   63    65    70    72   0.23200  1.0 3.0
   63    65    70    73   0.42250  1.0 1.0
   63    65    70    73  -0.48100 -1.0 2.0
   63    65    70    73   0.35650  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    70   0.00000  1.0 1.0
   65    70    73    74   0.00000  1.0 1.0
   65    70    73    82   0.00000  1.0 1.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.23100  1.0 3.0
   67    65    70    71  -0.03800  1.0 3.0
   67    65    70    72  -0.03800  1.0 3.0
   67    65    70    73  -0.84850  1.0 1.0
   67    65    70    73  -0.22800 -1.0 2.0
   67    65    70    73   0.29250  1.0 3.0
   70    65    67    68   0.00000  1.0 1.0
   70    65    67    69   0.00000  1.0 1.0
   70    73    74    75   3.62500 -1.0 2.0
   70    73    74    76   3.62500 -1.0 2.0
   70    73    82    80   3.62500 -1.0 2.0
   70    73    82    83   3.62500 -1.0 2.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    82   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    82   0.00000  1.0 1.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   74    73    82    80   3.62500 -1.0 2.0
   74    73    82    83   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76   -78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -82    73   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   81    80    82    73   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    73    74    75   3.62500 -1.0 2.0
   82    73   -74    76   3.62500 -1.0 2.0
   59    55    57    58   0.00000  1.0 1.0
   59    55    57    63   0.37150  1.0 1.0
   59    55    57    63   1.25400 -1.0 2.0
   59    55    57    63  -0.40250  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    43    38    39  10.50000 -1.0 2.0
   40    50    44    45  10.50000 -1.0 2.0
   51    44    50    52   1.00000 -1.0 2.0
   55    63    57    58  10.50000 -1.0 2.0
   64    57    63    65   1.00000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
   74    82    73    70   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    83    82    73   1.10000 -1.0 2.0
END
