* LIGAND DATABASE FILE (OPLS2005)
*
001      94    93    158    224     451
    1     0 S   NP   _N1_     1    29.03729    96.81445   -25.07337
    2     1 S   H    _HN1     2     1.02838    42.93516  -178.47800
    3     1 S   H    _H1_     3     1.02780   116.75321   -90.58944
    4     1 S   H    _H2_     4     1.02957    64.35651     7.96792
    5     1 S   CT   _CA1     5     1.50150   129.63389   103.95078
    6     5 S   HC   _HA1     6     1.09576   105.18716   104.56142
    7     5 S   CO3  _C1_     7     1.53767   112.31924   -15.58628
    8     7 S   O2Z  _O11     8     1.26370   114.98706   -44.26436
    9     7 S   O2Z  _O12     9     1.26227   114.92040   134.68140
   10     5 S   CT   _CB1    10     1.53085   107.40837  -137.56247
   11    10 S   HC   HB11    11     1.09831   109.27855   -50.28784
   12    10 S   HC   HB12    12     1.09815   110.45216    66.24592
   13    10 S   CT   _CG1    13     1.53051   112.72240  -171.33449
   14    13 S   HC   HG11    14     1.09588   110.54630   -65.62164
   15    13 S   HC   HG12    15     1.09662   109.87235    53.60245
   16    13 S   C    _CD1    16     1.51867   112.20484   173.94569
   17    16 S   O    _OE1    17     1.22777   123.23964     3.50498
   18    16 S   N    _N2_    18     1.38580   111.83811  -176.51446
   19    18 S   H    _HN2    19     1.01571   119.09848     3.68525
   20    18 S   CT1  _CA2    20     1.45785   122.72478   177.30885
   21    20 S   HC   _HA2    21     1.09746   108.83756    25.96579
   22    20 S   C    _C2_    22     1.53034   107.34968   -90.87896
   23    22 S   O    _O2_    23     1.22956   123.16593   -23.89329
   24    20 S   CT   _CB2    32     1.53176   112.38396   149.11133
   25    24 S   HC   HB21    33     1.09594   110.44707    53.67236
   26    24 S   HC   HB22    34     1.09407   109.67172   172.54610
   27    22 S   N    _N3_    24     1.38548   112.43743   158.75818
   28    27 S   H    _HN3    25     1.01653   120.29064    -2.38047
   29    24 S   S    _SG2    35     1.82575   111.34045   -67.22897
   30    27 S   CT   _CA3    26     1.45348   122.62852   178.19799
   31    30 S   HC   HA31    27     1.09564   107.95628   -52.67793
   32    30 S   HC   HA32    28     1.09556   107.49873    63.70197
   33    29 S   CT   _C17    36     1.84471    99.58441  -179.39769
   34    33 S   HC   _H3_    37     1.09640   106.12436   -47.12936
   35    30 S   CO3  _C3_    29     1.52925   114.25240  -174.62385
   36    35 S   O2Z  _O31    30     1.26347   116.06402     1.06275
   37    35 S   O2Z  _O32    31     1.26436   114.41101  -178.97283
   38    33 S   CM   _C15    38     1.53147   110.34371    71.66577
   39    33 S   CT   _C18    89     1.53472   109.92370  -163.88490
   40    39 S   HC   _H20    90     1.09890   109.08507  -170.63227
   41    39 S   HC   _H21    91     1.09836   110.74517   -53.89239
   42    38 S   CM   _C14    39     1.35074   118.67941  -111.67896
   43    42 S   HC   _H16    40     1.09008   117.80575     0.50590
   44    38 S   CT   _C16    85     1.51071   116.88937    69.30921
   45    44 S   HC   _H17    86     1.09412   111.08419   -51.97540
   46    44 S   HC   _H18    87     1.09463   110.27199    68.12731
   47    44 S   HC   _H19    88     1.09184   113.61985  -171.57739
   48    39 S   CO3  _C19    92     1.53412   116.30201    70.56705
   49    48 S   O2Z  _O34    93     1.26170   116.37549    26.40808
   50    48 S   O2Z  _O33    94     1.26478   114.27381  -154.75422
   51    42 S   CM   _C13    41     1.44792   127.78470   179.92598
   52    51 S   HC   _H15    42     1.08464   118.34732     0.53559
   53    51 S   CM   _C12    43     1.34358   122.58567  -179.48111
   54    53 S   HC   _H14    44     1.08852   120.04087    -1.68109
   55    53 S   CM   _C10    45     1.46024   124.70075  -180.00000
   56    55 S   CM   _C9_    46     1.34864   120.78873   -50.80427
   57    56 S   HC   _H10    47     1.09068   118.27635     0.37220
   58    55 S   CT   _C11    81     1.50561   113.07285   131.35624
   59    58 S   HC   _H11    82     1.09592   110.44227    60.72106
   60    58 S   HC   _H12    83     1.09197   113.69860  -178.84886
   61    58 S   HC   _H13    84     1.09607   110.24378   -58.83745
   62    56 S   CM   _C8_    48     1.44913   127.21760  -179.08635
   63    62 S   HC   _H9_    49     1.08503   118.11623    -0.86953
   64    62 S   CM   _C7_    50     1.34363   122.68730   179.17244
   65    64 S   HC   _H8_    51     1.08491   118.98328    -0.12667
   66    64 S   CM   _C6_    52     1.45004   122.71474   179.93147
   67    66 S   HC   _H7_    53     1.09075   113.99818    -0.12511
   68    66 S   CM   _C5_    54     1.35068   127.69640   179.86730
   69    68 S   CM   _C20    55     1.46744   118.21295   179.96044
   70    69 S   HC   _H22    56     1.09015   115.40875    -0.14127
   71    68 S   CT   _C4_    77     1.50877   124.55300    -0.02798
   72    71 S   HC   _H4_    78     1.09583   110.47710  -119.68869
   73    71 S   HC   _H5_    79     1.09175   113.86559     0.13848
   74    71 S   HC   _H6_    80     1.09589   110.48235   119.95908
   75    69 S   CM   _C21    57     1.34403   126.70120   179.97202
   76    75 S   HC   _H23    58     1.08455   120.17297    -0.51586
   77    75 S   CM   _C22    59     1.45123   122.70420  -179.69739
   78    77 S   HC   _H24    60     1.08975   114.96316     4.01034
   79    77 S   CM   _C23    61     1.34822   127.21943  -177.50331
   80    79 S   CM   _C25    62     1.45516   125.67411     1.82885
   81    80 S   HC   _H28    63     1.08799   115.25275  -123.22620
   82    79 S   CT   _C24    73     1.50651   120.71992  -176.63361
   83    82 S   HC   _H25    74     1.09566   110.52394  -121.08543
   84    82 S   HC   _H26    75     1.09548   112.19695    -1.25305
   85    82 S   HC   _H27    76     1.09564   110.66367   118.70048
   86    80 S   CM   _C26    64     1.34067   124.10251    59.95951
   87    86 S   HC   _H29    65     1.08489   121.96845    -1.12535
   88    86 S   CO4  _C27    66     1.47840   119.83264   178.65404
   89    88 S   O    _O35    67     1.22057   125.42249    -0.23407
   90    88 S   OS   _O36    68     1.35962   107.65086   179.68348
   91    90 S   CT   _C28    69     1.43076   115.12266  -179.91607
   92    91 S   HC   _H30    70     1.09330   108.10909  -179.98022
   93    91 S   HC   _H31    71     1.09427   110.29033    61.31944
   94    91 S   HC   _H32    72     1.09427   110.29518   -61.28027
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  13   7   4   3  10   4   4   2   1   1   2
   1   1   6   3   9   3   9  10   4   4   2   1   1   6   3   6
   3   9   3   9  10   4   4   2   1   1   6   3   9   3   9  10
   4   4   2   1   1   5   3   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    51    44    45    46    47    39    40    41    48    49    50  
   38    42    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    51    52    53    44    45    46    47    39    40    41    48  
   40    41    48    49    50    42    44  
   41    48    49    50  
   48    49    50  
   43    51    52    53    54    55    44    45    46    47  
   51    52    53    44  
   45    46    47    51  
   46    47  
   47  
    0  
   49    50  
   50  
    0  
   52    53    54    55    56    58  
   53    54    55  
   54    55    56    57    62    58    59    60    61  
   55    56    58  
   56    57    62    63    64    58    59    60    61  
   57    62    63    64    65    66    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69    71  
   66    67    68  
   67    68    69    70    75    71    72    73    74  
   68    69    71  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    78    79    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    79    80    82  
   77    78    79  
   78    79    80    81    86    82    83    84    85  
   79    80    82  
   80    81    86    87    88    82    83    84    85  
   81    86    87    88    89    90    82    83    84    85  
   86    87    88    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89    90    91  
   88    89    90  
   89    90    91    92    93    94  
   90    91  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   340.000  1.080
   53    55   380.000  1.444
   55    56   549.000  1.340
   55    58   317.000  1.510
   56    57   340.000  1.080
   56    62   380.000  1.444
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   380.000  1.444
   68    71   317.000  1.510
   69    70   340.000  1.080
   69    75   549.000  1.340
   75    76   340.000  1.080
   75    77   380.000  1.444
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   380.000  1.444
   79    82   317.000  1.510
   80    81   340.000  1.080
   80    86   549.000  1.340
   86    87   340.000  1.080
   86    88   320.000  1.462
   88    89   570.000  1.229
   88    90   214.000  1.327
   90    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    51    70.00000  123.01800
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    51    52    35.00000  120.00000
   42    51    53    70.00000  123.01800
   51    42    43    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  123.01800
   53    51    52    35.00000  120.00000
   53    55    56    70.00000  123.01800
   53    55    58    70.00000  124.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    62    70.00000  123.01800
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    35.00000  120.00000
   56    62    64    70.00000  123.01800
   62    56    57    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  123.01800
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    70.00000  123.01800
   66    64    65    35.00000  120.00000
   66    68    69    70.00000  123.01800
   66    68    71    70.00000  124.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    75    70.00000  123.01800
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    35.00000  120.00000
   69    75    77    70.00000  123.01800
   75    69    70    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    70.00000  123.01800
   77    75    76    35.00000  120.00000
   77    79    80    70.00000  123.01800
   77    79    82    70.00000  124.00000
   79    77    78    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    86    70.00000  123.01800
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  120.00000
   80    86    88    65.00000  118.96000
   86    80    81    35.00000  120.00000
   86    88    89    80.00000  123.72100
   86    88    90    90.00000  111.29400
   88    86    87    40.00000  117.72500
   88    90    91    83.00000  116.90000
   90    88    89    83.00000  123.40000
   90    91    92    35.00000  109.50000
   90    91    93    35.00000  109.50000
   90    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   82    79    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    68    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    48    49    70.00000  117.00000
   39    48    50    70.00000  117.00000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
   50    48    49    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  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    48   0.56750  1.0 1.0
   29    33    39    48  -0.07550 -1.0 2.0
   29    33    39    48   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   33    39    48    49   0.41150 -1.0 2.0
   33    39    48    50   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    48  -0.11250  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    48  -0.98800  1.0 1.0
   38    33    39    48   0.48800 -1.0 2.0
   38    33    39    48   0.76800  1.0 3.0
   38    42    51    52  -0.18600  1.0 3.0
   38    42    51    53   0.28850  1.0 1.0
   38    42    51    53   2.61350 -1.0 2.0
   38    42    51    53   0.78400  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    51    53    54   7.00000 -1.0 2.0
   42    51    53    55   7.00000 -1.0 2.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53  -0.18600  1.0 3.0
   51    53    55    56   0.28850  1.0 1.0
   51    53    55    56   2.61350 -1.0 2.0
   51    53    55    56   0.78400  1.0 3.0
   51    53    55    58  -0.18600  1.0 3.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    55    56    57   7.00000 -1.0 2.0
   53    55    56    62   7.00000 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    61   0.00000  1.0 1.0
   54    53    55    56  -0.18600  1.0 3.0
   54    53    55    58   0.00000  1.0 1.0
   55    56    62    63  -0.18600  1.0 3.0
   55    56    62    64   0.28850  1.0 1.0
   55    56    62    64   2.61350 -1.0 2.0
   55    56    62    64   0.78400  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    61   0.00000  1.0 1.0
   56    62    64    65   7.00000 -1.0 2.0
   56    62    64    66   7.00000 -1.0 2.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64  -0.18600  1.0 3.0
   62    64    66    67  -0.18600  1.0 3.0
   62    64    66    68   0.28850  1.0 1.0
   62    64    66    68   2.61350 -1.0 2.0
   62    64    66    68   0.78400  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   7.00000 -1.0 2.0
   64    66    68    71   7.00000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68  -0.18600  1.0 3.0
   66    68    69    70  -0.18600  1.0 3.0
   66    68    69    75   0.28850  1.0 1.0
   66    68    69    75   2.61350 -1.0 2.0
   66    68    69    75   0.78400  1.0 3.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    73   0.00000  1.0 1.0
   66    68    71    74   0.00000  1.0 1.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    71   7.00000 -1.0 2.0
   68    69    75    76   7.00000 -1.0 2.0
   68    69    75    77   7.00000 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    77    78  -0.18600  1.0 3.0
   69    75    77    79   0.28850  1.0 1.0
   69    75    77    79   2.61350 -1.0 2.0
   69    75    77    79   0.78400  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    77   7.00000 -1.0 2.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    82   7.00000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79  -0.18600  1.0 3.0
   77    79    80    81  -0.18600  1.0 3.0
   77    79    80    86   0.28850  1.0 1.0
   77    79    80    86   2.61350 -1.0 2.0
   77    79    80    86   0.78400  1.0 3.0
   77    79    82    83   0.00000  1.0 1.0
   77    79    82    84   0.00000  1.0 1.0
   77    79    82    85   0.00000  1.0 1.0
   78    77    79    80   7.00000 -1.0 2.0
   78    77    79    82   7.00000 -1.0 2.0
   79    80    86    87   7.00000 -1.0 2.0
   79    80    86    88   7.00000 -1.0 2.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   80    86    88    89   1.00000 -1.0 2.0
   80    86    88    90  -0.56150  1.0 1.0
   80    86    88    90   2.19150 -1.0 2.0
   81    80    86    87   7.00000 -1.0 2.0
   81    80    86    88   7.00000 -1.0 2.0
   86    88    90    91   2.00000 -1.0 2.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   1.63100 -1.0 2.0
   88    90    91    92   0.08050  1.0 3.0
   88    90    91    93   0.08050  1.0 3.0
   88    90    91    94   0.08050  1.0 3.0
   89    88    90    91   3.00000 -1.0 2.0
   82    79    80    81   0.00000  1.0 1.0
   82    79    80    86  -0.18600  1.0 3.0
   71    68    69    70   0.00000  1.0 1.0
   71    68    69    75  -0.18600  1.0 3.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    62   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    51   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    39    48    50   0.00000  1.0 1.0
   41    39    48    49   0.00000  1.0 1.0
   41    39    48    50   0.00000  1.0 1.0
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    44    38    42  15.00000 -1.0 2.0
   51    43    42    38  15.00000 -1.0 2.0
   42    52    51    53  15.00000 -1.0 2.0
   55    54    53    51  15.00000 -1.0 2.0
   53    58    55    56  15.00000 -1.0 2.0
   62    57    56    55  15.00000 -1.0 2.0
   56    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
   64    67    66    68  15.00000 -1.0 2.0
   69    71    68    66  15.00000 -1.0 2.0
   68    70    69    75  15.00000 -1.0 2.0
   77    76    75    69  15.00000 -1.0 2.0
   75    78    77    79  15.00000 -1.0 2.0
   80    82    79    77  15.00000 -1.0 2.0
   79    81    80    86  15.00000 -1.0 2.0
   88    87    86    80  15.00000 -1.0 2.0
   86    90    88    89  10.50000 -1.0 2.0
   49    39    48    50  10.50000 -1.0 2.0
END
