* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    158    251     476
    1     0 S   NP   _N1_     1    29.55410    94.23759   -25.02290
    2     1 S   H    _HN1     2     1.02778   116.52641   -99.48185
    3     1 S   H    _H1_     3     1.02962    86.19238     9.13626
    4     1 S   H    _H2_     4     1.02830    20.83356  -169.33214
    5     1 S   CT   _CA1     5     1.50140   119.39095   120.38790
    6     5 S   HC   _HA1     6     1.09577   105.19425    80.14644
    7     5 S   CO3  _C1_     7     1.53777   112.46103   -39.96566
    8     7 S   O2Z  _O11     8     1.26357   115.00601   -41.41221
    9     7 S   O2Z  _O12     9     1.26246   114.91492   137.67823
   10     5 S   CT   _CB1    10     1.53075   107.39571  -161.97905
   11    10 S   HC   HB11    11     1.09826   109.23051   -50.72054
   12    10 S   HC   HB12    12     1.09825   110.43041    65.78840
   13    10 S   CT   _CG1    13     1.53015   112.76630  -171.86795
   14    13 S   HC   HG11    14     1.09591   110.42677   -65.18270
   15    13 S   HC   HG12    15     1.09648   110.04126    54.11346
   16    13 S   C    _CD1    16     1.51743   112.22932   174.33306
   17    16 S   O    _OE1    17     1.22756   123.35202    -3.35666
   18    16 S   N    _N2_    18     1.38663   111.84700   177.28041
   19    18 S   H    _HN2    19     1.01581   119.20044     2.28508
   20    18 S   CT1  _CA2    20     1.45939   122.95675  -179.53438
   21    20 S   HC   _HA2    21     1.09294   108.65726     2.23896
   22    20 S   C    _C2_    22     1.53368   109.55491  -112.52159
   23    22 S   O    _O2_    23     1.23032   122.04552  -145.86745
   24    20 S   CT   _CB2    32     1.53119   111.87414   123.91310
   25    24 S   HC   HB21    33     1.09660   109.56850    60.28201
   26    24 S   HC   HB22    34     1.09529   111.15316   177.42268
   27    22 S   N    _N3_    24     1.38493   113.53159    42.02364
   28    27 S   H    _HN3    25     1.01469   119.06322    -3.59913
   29    24 S   S    _SG2    35     1.82895   114.49299   -59.33733
   30    27 S   CT   _CA3    26     1.45378   123.35736   173.52713
   31    30 S   HC   HA31    27     1.09517   110.00766    19.87938
   32    30 S   HC   HA32    28     1.09512   106.98888   136.81362
   33    29 S   CT   _C12    36     1.85460   100.93619   -63.64077
   34    33 S   HC   _H6_    37     1.09506   107.63731    67.34827
   35    30 S   CO3  _C3_    29     1.52742   112.00723  -102.15590
   36    35 S   O2Z  _O31    30     1.26317   115.04530  -103.56913
   37    35 S   O2Z  _O32    31     1.26382   115.34284    76.24345
   38    33 S   CT   _C11    38     1.54705   109.52479  -173.39972
   39    38 S   HC   _H5_    39     1.09981   108.63388    47.28266
   40    33 S   OS   _O34    56     1.42862   108.14690   -50.52409
   41    38 S   C    _C10    40     1.53647   113.14450   -70.61868
   42    41 S   O    _O33    41     1.23054   123.17817    20.51715
   43    41 S   N    _N4_    42     1.37974   115.99344  -163.88440
   44    43 S   H    _H20    43     1.01504   115.87379  -174.67469
   45    43 S   CT   _C9_    44     1.45089   125.75820    20.74898
   46    45 S   HC   _H18    45     1.09451   107.90688  -145.99966
   47    45 S   HC   _H19    46     1.09593   106.21637    98.91397
   48    45 S   CT   _C8_    47     1.51873   114.00047   -22.23328
   49    48 S   HC   _H16    48     1.09593   109.57119   164.22290
   50    48 S   HC   _H17    49     1.09699   109.10828   -78.71335
   51    38 S   CT   _C7_    50     1.54106   111.52593   165.96613
   52    51 S   HC   _H4_    51     1.10111   107.94018    70.80596
   53    51 S   CT   _C6_    52     1.54183   112.59847   -46.88458
   54    53 S   HC   _H3_    53     1.09947   106.99811   169.13141
   55    53 S   CO   _C13    54     1.53890   108.79048    52.75653
   56    55 S   HC   _H7_    55     1.09698   108.92702  -175.26100
   57    53 S   CM   _C5_    80     1.51306   113.77513   -70.69092
   58    57 S   HC   _H15    81     1.08751   117.91297    61.95197
   59    55 S   OS1  _O35    57     1.43168   108.44678    66.98070
   60    57 S   CM   _C4_    82     1.33836   123.84026  -118.42163
   61    60 S   HC   _H13    83     1.08478   120.46076  -179.81869
   62    60 S   HC   _H14    84     1.08450   121.65053     0.22468
   63    59 S   CO1  _C14    58     1.43139   113.62645   171.18530
   64    63 S   HC   _H8_    59     1.09461   108.74421    51.47910
   65    63 S   CT   _C15    60     1.53320   107.14957   170.70938
   66    65 S   HC   _H9_    61     1.09699   109.74020    54.76739
   67    65 S   CT   _C16    62     1.53049   111.11829   176.25017
   68    67 S   HC   _H10    63     1.09600   110.23797    73.64406
   69    65 S   OH5  _O40    78     1.42835   110.31018   -61.75253
   70    69 S   HO   _H26    79     0.97338   108.76422   -62.07051
   71    67 S   CT   _C17    64     1.53276   111.09093   -49.25350
   72    71 S   HC   _H11    65     1.09716   108.86207   -71.38393
   73    67 S   OH5  _O39    76     1.43002   109.45031  -170.46739
   74    73 S   HO   _H25    77     0.97207   108.12565    62.14805
   75    71 S   CT   _C18    66     1.53341   110.85261    49.54296
   76    75 S   HC   _H12    67     1.09824   111.06488    64.19918
   77    71 S   OH5  _O38    74     1.42487   109.88607   171.97136
   78    77 S   HO   _H24    75     0.97707   108.11893   -59.75139
   79    63 S   OS1  _O36    68     1.42840   111.30986   -69.46111
   80    75 S   CT   _C19    69     1.52947   111.50082  -175.00625
   81    80 S   HC   _H21    70     1.09498   111.00044    68.31182
   82    80 S   HC   _H22    71     1.09404   111.48185   -54.02208
   83    80 S   OH5  _O37    72     1.42516   109.15333  -173.05748
   84    83 S   HO   _H23    73     0.97224   106.98667   179.86294
  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   8   5   4   3
  14   6   2   1   1  16   8   9  10   4   8   4   8   5   4   8
   4   3   9   4  10   6   9   3   5   3   8   2   1   1  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    51    55    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    48    51    52    53    55    56    40    59  
   38    39    41    51    55    40  
   36    37  
   37  
    0  
   39    41    42    43    44    45    48    49    50    51    52    53    54    55    40    57  
   41    42    43    48    51    52    53    40  
   59    63    57    41    51    53    54    55    56  
   42    43    44    45    46    47    48    51    52    53  
   43    44    45    51  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    53  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    55    57  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    59    57    58    60  
   53    54    55    57  
   54    55    56    59    63    57    58    60    61    62  
   55    56    59    57    58    60  
   56    59    63    64    65    79    57    58    60  
   59    63    57  
   58    60    61    62    59  
   60    61    62  
   63    64    65    66    67    75    79    69  
   61    62  
   62  
    0  
   64    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    51   268.000  1.529
   41    42   570.000  1.229
   41    43   490.000  1.335
   43    44   434.000  1.010
   43    45   337.000  1.449
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   250.000  1.527
   53    57   317.000  1.510
   55    56   340.000  1.090
   55    40   320.000  1.380
   55    59   320.000  1.380
   59    63   370.000  1.399
   63    64   360.000  1.097
   63    65   255.000  1.525
   63    79   370.000  1.399
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    51    58.35000  112.70000
   33    40    55    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.60000
   38    51    48    58.35000  112.70000
   38    51    52    37.50000  110.70000
   38    51    53    58.35000  112.70000
   41    38    39    35.00000  109.50000
   41    43    44    35.00000  119.80000
   41    43    45    50.00000  121.90000
   43    41    42    80.00000  122.90000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    70.00000  110.72300
   45    43    44    38.00000  118.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    38    39    37.50000  110.70000
   51    38    41    63.00000  111.10000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    75.00000  109.43000
   51    53    57    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    55    56    45.00000  112.01100
   53    55    40    90.00000  108.56700
   53    55    59    90.00000  108.56700
   53    57    58    35.00000  117.00000
   53    57    60    70.00000  124.00000
   55    53    54    45.00000  108.72000
   55    59    63    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    55    56    35.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    40    92.60000  111.55000
   59    63    64    60.00000  105.75400
   59    63    65    90.00000  109.70700
   59    63    79   110.00000  113.16000
   63    65    66    45.00000  109.54000
   63    65    67    70.00000  111.10000
   63    65    69    90.00000  109.42000
   63    79    75    90.00000  112.10700
   65    63    64    45.00000  111.65000
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    90.00000  111.45300
   65    69    70    65.00000  108.53500
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    90.00000  111.45300
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    63    64    60.00000  105.75400
   79    63    65    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    65    66    60.00000  109.39000
   69    65    67    90.00000  111.45300
   57    53    54    35.00000  109.50000
   57    53    55    70.00000  112.02700
   57    60    61    35.00000  120.00000
   57    60    62    35.00000  120.00000
   60    57    58    35.00000  120.00000
   62    60    61    35.00000  117.00000
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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    51   0.44750  1.0 1.0
   29    33    38    51  -0.17800 -1.0 2.0
   29    33    38    51   0.20200  1.0 3.0
   29    33    40    55   0.14700  1.0 1.0
   29    33    40    55  -1.16150 -1.0 2.0
   29    33    40    55   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   1.39750  1.0 1.0
   33    38    41    43  -0.07950 -1.0 2.0
   33    38    41    43  -0.18750  1.0 3.0
   33    38    51    48   0.56750  1.0 1.0
   33    38    51    48  -0.07550 -1.0 2.0
   33    38    51    48   0.20000  1.0 3.0
   33    38    51    52   0.15000  1.0 3.0
   33    38    51    53   0.56750  1.0 1.0
   33    38    51    53  -0.07550 -1.0 2.0
   33    38    51    53   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    51   0.15000  1.0 3.0
   34    33    40    55   0.37050  1.0 3.0
   38    33    40    55   0.06250  1.0 1.0
   38    33    40    55  -0.01100 -1.0 2.0
   38    33    40    55   0.28050  1.0 3.0
   38    41    43    44   2.45000 -1.0 2.0
   38    41    43    45   1.49850  1.0 1.0
   38    41    43    45   1.53950 -1.0 2.0
   38    51    53    54   0.15000  1.0 3.0
   38    51   -53    55   3.97050  1.0 1.0
   38    51    53    57   0.34400  1.0 1.0
   38    51    53    57   0.09450 -1.0 2.0
   38    51    53    57   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    51    48   0.15000  1.0 3.0
   39    38    51    52   0.15000  1.0 3.0
   39    38    51    53   0.15000  1.0 3.0
   41    38    51    48  -0.95700  1.0 1.0
   41    38    51    48  -0.18200 -1.0 2.0
   41    38    51    48   0.29450  1.0 3.0
   41    38    51    52  -0.11250  1.0 3.0
   41    38    51    53  -0.95700  1.0 1.0
   41    38    51    53  -0.18200 -1.0 2.0
   41    38    51    53   0.29450  1.0 3.0
   41    43    45    46   0.00000  1.0 1.0
   41    43    45    47   0.00000  1.0 1.0
   41    43   -45    48  -0.43950  1.0 1.0
   41    43   -45    48  -0.08100 -1.0 2.0
   41    43   -45    48   0.03350  1.0 3.0
   42    41    43    44   2.45000 -1.0 2.0
   42    41    43    45   3.04450 -1.0 2.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   43    45    48    51   0.43900  1.0 1.0
   43    45    48    51   0.49100 -1.0 2.0
   43    45    48    51   0.28400  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   45    48   -51    38   0.56750  1.0 1.0
   45    48   -51    38  -0.07550 -1.0 2.0
   45    48   -51    38   0.20000  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.56750  1.0 1.0
   45    48    51    53  -0.07550 -1.0 2.0
   45    48    51    53   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    55   3.97050  1.0 1.0
   48    51    53    57   0.34400  1.0 1.0
   48    51    53    57   0.09450 -1.0 2.0
   48    51    53    57   0.11100  1.0 3.0
   49    48    51    38   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   50    48    51    38   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   51    38    41    42   0.30150 -1.0 2.0
   51    38   -41    43   1.39750  1.0 1.0
   51    38   -41    43  -0.07950 -1.0 2.0
   51    38   -41    43  -0.18750  1.0 3.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    40   0.62750  1.0 1.0
   51    53    55    40  -0.30950 -1.0 2.0
   51    53    55    40   0.27300  1.0 3.0
   51    53    55    59   0.62750  1.0 1.0
   51    53    55    59  -0.30950 -1.0 2.0
   51    53    55    59   0.27300  1.0 3.0
   51    53    57    58   0.00000  1.0 1.0
   51    53    57    60   0.09850  1.0 1.0
   51    53    57    60   0.15250 -1.0 2.0
   51    53    57    60  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   53    55   -40    33   0.06250  1.0 1.0
   53    55   -40    33  -0.01100 -1.0 2.0
   53    55   -40    33   0.28050  1.0 3.0
   53    55    59    63   0.06250  1.0 1.0
   53    55    59    63  -0.01100 -1.0 2.0
   53    55    59    63   0.28050  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    62   7.00000 -1.0 2.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    40   0.23400  1.0 3.0
   54    53    55    59   0.23400  1.0 3.0
   54    53    57    58   0.33100  1.0 3.0
   54    53    57    60   0.00000  1.0 1.0
   55    53    57    58   0.00000  1.0 1.0
   55    53    57    60   0.09850  1.0 1.0
   55    53    57    60   0.15250 -1.0 2.0
   55    53    57    60  -0.50650  1.0 3.0
   55    59    63    64   0.37050  1.0 3.0
   55    59    63    65   0.06250  1.0 1.0
   55    59    63    65  -0.01100 -1.0 2.0
   55    59    63    65   0.28050  1.0 3.0
   55    59    63    79  -0.12700  1.0 1.0
   55    59    63    79  -1.16200 -1.0 2.0
   55    59    63    79   0.58800  1.0 3.0
   56    55    40    33   0.37050  1.0 3.0
   56    55    59    63   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33   -38    51   0.62750  1.0 1.0
   40    33   -38    51  -0.30950 -1.0 2.0
   40    33   -38    51   0.27300  1.0 3.0
   40    55    59    63  -0.53350  1.0 1.0
   40    55    59    63  -0.78350 -1.0 2.0
   40    55    59    63   0.33750  1.0 3.0
   59    55    40    33  -0.81800  1.0 1.0
   59    63    65    66   0.23400  1.0 3.0
   59    63    65    67   0.62750  1.0 1.0
   59    63    65    67  -0.30950 -1.0 2.0
   59    63    65    67   0.27300  1.0 3.0
   59    63    65    69   1.51850  1.0 1.0
   59    63    79    75  -0.70400  1.0 1.0
   59    63    79    75  -0.90350 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    71   0.56750  1.0 1.0
   63    65    67    71  -0.07550 -1.0 2.0
   63    65    67    71   0.20000  1.0 3.0
   63    65    67    73  -0.47750  1.0 1.0
   63    65    69    70   0.29150  1.0 1.0
   63    65    69    70  -0.28350 -1.0 2.0
   63    65    69    70   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.23400  1.0 3.0
   64    63    79    75   0.37050  1.0 3.0
   65    63    79    75   0.06250  1.0 1.0
   65    63    79    75  -0.01100 -1.0 2.0
   65    63    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77  -0.47750  1.0 1.0
   65    67    73    74   0.29150  1.0 1.0
   65    67    73    74  -0.28350 -1.0 2.0
   65    67    73    74   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70   0.29150  1.0 1.0
   67    65    69    70  -0.28350 -1.0 2.0
   67    65    69    70   0.43600  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78   0.29150  1.0 1.0
   67    71    77    78  -0.28350 -1.0 2.0
   67    71    77    78   0.43600  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    75   -79    63   0.06250  1.0 1.0
   71    75   -79    63  -0.01100 -1.0 2.0
   71    75   -79    63   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    63   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    63    65    66   0.23400  1.0 3.0
   79    63   -65    67   0.62750  1.0 1.0
   79    63   -65    67  -0.30950 -1.0 2.0
   79    63   -65    67   0.27300  1.0 3.0
   79    63    65    69   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    63   0.06250  1.0 1.0
   80    75    79    63  -0.01100 -1.0 2.0
   80    75    79    63   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75  -0.47750  1.0 1.0
   73    67    71    77   3.77950  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71  -0.47750  1.0 1.0
   69    65    67    73   3.77950  1.0 1.0
   57    53    55    56   0.15000  1.0 3.0
   57    53    55    40   0.61850  1.0 1.0
   57    53    55    40  -0.22750 -1.0 2.0
   57    53    55    40   0.15300  1.0 3.0
   57    53    55    59   0.61850  1.0 1.0
   57    53    55    59  -0.22750 -1.0 2.0
   57    53    55    59   0.15300  1.0 3.0
   58    57    60    61   7.00000 -1.0 2.0
   58    57    60    62   7.00000 -1.0 2.0
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
   38    43    41    42  10.50000 -1.0 2.0
   44    41    43    45   1.00000 -1.0 2.0
   53    58    57    60  15.00000 -1.0 2.0
   61    62    60    57  15.00000 -1.0 2.0
END
