* LIGAND DATABASE FILE (OPLS2005)
*
001      93    92    155    220     442
    1     0 S   NP   _N1_     1    34.12230    95.19424   -32.25672
    2     1 S   H    _HN1     2     1.02814    61.01069  -122.48930
    3     1 S   H    _H1_     3     1.02823   167.73161  -149.79055
    4     1 S   H    _H2_     4     1.02955    81.46083    -7.41624
    5     1 S   CT   _CA1     5     1.50214    69.86576   107.99514
    6     5 S   HC   _HA1     6     1.09553   105.28706   105.55718
    7     5 S   CO3  _C1_     7     1.53732   112.57374   -15.00723
    8     7 S   O2Z  _O11     8     1.26380   115.01903   -41.30286
    9     7 S   O2Z  _O12     9     1.26239   114.92782   137.87472
   10     5 S   CT   _CB1    10     1.52873   107.19727  -136.33775
   11    10 S   HC   HB11    11     1.09819   109.21147   -49.19729
   12    10 S   HC   HB12    12     1.09657   110.06098    67.47095
   13    10 S   CT   _CG1    13     1.52929   113.33841  -170.60460
   14    13 S   HC   HG11    14     1.09564   110.70251   -67.35426
   15    13 S   HC   HG12    15     1.09641   109.94693    52.17576
   16    13 S   C    _CD1    16     1.51786   111.59084   172.32455
   17    16 S   O    _OE1    17     1.22793   123.21582     5.60046
   18    16 S   N    _N2_    18     1.38568   112.10376  -174.18958
   19    18 S   H    _HN2    19     1.01573   119.24349     1.98238
   20    18 S   CT1  _CA2    20     1.45829   122.26391   174.44653
   21    20 S   HC   _HA2    21     1.09312   109.84955    18.68537
   22    20 S   C    _C2_    22     1.52829   104.63424   -97.03093
   23    22 S   O    _O2_    23     1.22943   122.80249   -91.70096
   24    20 S   CT   _CB2    32     1.52986   112.05046   142.61116
   25    24 S   HC   HB21    33     1.09667   110.00357    53.96920
   26    24 S   HC   HB22    34     1.09509   110.83289   170.94748
   27    22 S   N    _N3_    24     1.38574   112.61705    84.32028
   28    27 S   H    _HN3    25     1.01719   119.92292     0.98417
   29    24 S   S    _SG2    35     1.83383   114.33637   -65.22177
   30    27 S   CT   _CA3    26     1.45270   122.78653  -178.15995
   31    30 S   HC   HA31    27     1.09554   107.33522   -66.85789
   32    30 S   HC   HA32    28     1.09562   108.11565    49.51184
   33    29 S   CT   _C17    36     1.84541   101.38018   -63.29249
   34    33 S   HC   _H3_    37     1.08987   106.18505    59.30826
   35    30 S   CO3  _C3_    29     1.52929   114.34091   171.50685
   36    35 S   O2Z  _O31    30     1.26331   116.17772    -3.59423
   37    35 S   O2Z  _O32    31     1.26456   114.36944   176.59084
   38    33 S   CM   _C18    38     1.51386   110.12289   -59.46780
   39    38 S   HC   _H20    39     1.09192   115.40015   -53.89098
   40    33 S   CM   _C15    47     1.52978   108.57022   176.29319
   41    38 S   CMA  _C19    40     1.35637   127.15417   125.27621
   42    41 S   OM   _O33    41     1.26809   123.62109  -179.85463
   43    40 S   CM   _C14    48     1.35135   124.37204   -99.78875
   44    43 S   HC   _H16    49     1.08971   118.03957  -177.45286
   45    40 S   CT   _C16    90     1.51392   117.39384    81.36842
   46    45 S   HC   _H17    91     1.09460   110.83723   -52.87604
   47    45 S   HC   _H18    92     1.09570   112.23817  -172.27158
   48    45 S   HC   _H19    93     1.09460   110.75029    67.99848
   49    41 S   OS   _O34    42     1.41613   111.82105     1.28405
   50    43 S   CM   _C13    50     1.44874   127.37521     4.08389
   51    50 S   HC   _H15    51     1.08529   117.80042     8.99486
   52    49 S   CT   _C20    43     1.42704   114.59602  -148.06368
   53    52 S   HC   _H21    44     1.09410   107.76024   171.53854
   54    52 S   HC   _H22    45     1.09532   111.14499    53.42347
   55    52 S   HC   _H23    46     1.09471   110.94196   -70.45450
   56    50 S   CM   _C12    52     1.34384   122.87116  -173.02023
   57    56 S   HC   _H14    53     1.08875   119.61935     0.35054
   58    56 S   CM   _C10    54     1.46229   125.15565  -177.38611
   59    58 S   CM   _C9_    55     1.34854   121.46090   -40.89225
   60    59 S   HC   _H10    56     1.09037   118.50675     0.45842
   61    58 S   CT   _C11    86     1.50665   112.94463   139.78916
   62    61 S   HC   _H11    87     1.09569   110.36126    65.99666
   63    61 S   HC   _H12    88     1.09628   110.33335   -53.60047
   64    61 S   HC   _H13    89     1.09217   113.64877  -173.21086
   65    59 S   CM   _C8_    57     1.44907   127.20889   179.46624
   66    65 S   HC   _H9_    58     1.08490   118.28045     8.50928
   67    65 S   CM   _C7_    59     1.34324   122.23645  -169.51262
   68    67 S   HC   _H8_    60     1.08541   118.86884    -0.88337
   69    67 S   CM   _C6_    61     1.44869   122.91180   177.28863
   70    69 S   HC   _H7_    62     1.09054   114.13109     8.75885
   71    69 S   CM   _C5_    63     1.35057   127.32085  -170.65515
   72    71 S   CM   _C21    64     1.46699   118.21408   179.82086
   73    72 S   HC   _H24    65     1.09021   115.38003     0.80113
   74    71 S   CT   _C4_    82     1.50971   124.47044     0.66264
   75    74 S   HC   _H4_    83     1.09566   110.47627  -119.11945
   76    74 S   HC   _H5_    84     1.09594   110.47233   120.47975
   77    74 S   HC   _H6_    85     1.09177   113.88761     1.00561
   78    72 S   CM   _C22    66     1.34448   126.71898  -179.25323
   79    78 S   HC   _H25    67     1.08314   119.84162    -0.11869
   80    78 S   CM   _C23    68     1.45110   122.54643   179.97202
   81    80 S   HC   _H26    69     1.09078   114.09886     0.47519
   82    80 S   CM   _C24    70     1.35082   127.72584  -179.57664
   83    82 S   CM   _C26    71     1.46776   118.19354  -179.94405
   84    83 S   HC   _H30    72     1.08942   115.24194     0.03956
   85    82 S   CT   _C25    78     1.50861   124.60955     0.07662
   86    85 S   HC   _H27    79     1.09582   110.47974  -119.71800
   87    85 S   HC   _H28    80     1.09176   113.88714     0.11703
   88    85 S   HC   _H29    81     1.09583   110.48266   119.91088
   89    83 S   CM   _C27    73     1.34214   126.62955  -179.96574
   90    89 S   HC   _H31    74     1.08792   120.81533    -0.00000
   91    89 S   CO3  _C28    75     1.53568   121.86527  -180.00000
   92    91 S   O2Z  _O36    76     1.26252   117.02877    -0.00000
   93    91 S   O2Z  _O35    77     1.26624   113.86781   180.00000
  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   8   4  10   6   2  10   4   4   2   1   1
   4   6   3   3   2   1   1   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   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    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    40    43    44    50    45    46    47    48  
   38    39    41    40    43    45  
   36    37  
   37  
    0  
   39    41    42    49    52    40    43    45  
   41    42    49    40  
   43    44    50    51    56    45    46    47    48    41  
   42    49    52    53    54    55  
   49    52  
   44    50    51    56    57    58    45    46    47    48  
   50    51    56    45  
   46    47    48    50  
   47    48  
   48  
    0  
   52    53    54    55  
   51    56    57    58    59    61  
   56    57    58  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    65    61    62    63    64  
   58    59    61  
   59    60    65    66    67    61    62    63    64  
   60    65    66    67    68    69    61    62    63    64  
   65    66    67    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72    74  
   69    70    71  
   70    71    72    73    78    74    75    76    77  
   71    72    74  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    81    82    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    85  
   80    81    82  
   81    82    83    84    89    85    86    87    88  
   82    83    85  
   83    84    89    90    91    85    86    87    88  
   84    89    90    91    92    93    85    86    87    88  
   89    90    91    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   317.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    43   549.000  1.340
   40    45   317.000  1.510
   43    44   340.000  1.080
   43    50   380.000  1.444
   50    51   340.000  1.080
   50    56   549.000  1.340
   56    57   340.000  1.080
   56    58   380.000  1.444
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    65   380.000  1.444
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   340.000  1.080
   67    69   380.000  1.444
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   380.000  1.444
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   380.000  1.444
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   380.000  1.444
   82    85   317.000  1.510
   83    84   340.000  1.080
   83    89   549.000  1.340
   89    90   340.000  1.080
   89    91   230.000  1.545
   91    92   656.000  1.250
   91    93   656.000  1.250
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  124.00000
   33    40    45    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   41    38    39    40.00000  120.50800
   41    49    52    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    35.00000  120.00000
   40    43    50    70.00000  123.01800
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    50    51    35.00000  120.00000
   43    50    56    70.00000  123.01800
   50    43    44    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    58    70.00000  123.01800
   56    50    51    35.00000  120.00000
   56    58    59    70.00000  123.01800
   56    58    61    70.00000  124.00000
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    65    70.00000  123.01800
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   59    65    66    35.00000  120.00000
   59    65    67    70.00000  123.01800
   65    59    60    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    70.00000  123.01800
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    70.00000  123.01800
   69    67    68    35.00000  120.00000
   69    71    72    70.00000  123.01800
   69    71    74    70.00000  124.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    78    70.00000  123.01800
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    35.00000  120.00000
   72    78    80    70.00000  123.01800
   78    72    73    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    70.00000  123.01800
   80    78    79    35.00000  120.00000
   80    82    83    70.00000  123.01800
   80    82    85    70.00000  124.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    89    70.00000  123.01800
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   83    89    90    35.00000  120.00000
   83    89    91    55.00000  124.75400
   89    83    84    35.00000  120.00000
   89    91    92    85.00000  113.83300
   89    91    93    85.00000  113.83300
   91    89    90    40.00000  118.53000
   93    91    92    80.00000  126.00000
   85    82    83    70.00000  124.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    58    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   45    40    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   29    33    40    45   0.30250  1.0 1.0
   29    33    40    45  -0.14950 -1.0 2.0
   29    33    40    45   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    50   7.00000 -1.0 2.0
   33    40    45    46   0.34800  1.0 3.0
   33    40    45    47   0.34800  1.0 3.0
   33    40    45    48   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.00000  1.0 1.0
   34    33    40    45   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    49    52  -2.26850  1.0 1.0
   38    41    49    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    49    52    53   0.08050  1.0 3.0
   41    49    52    54   0.08050  1.0 3.0
   41    49    52    55   0.08050  1.0 3.0
   42    41    49    52   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    43    50    51  -0.18600  1.0 3.0
   40    43    50    56   0.28850  1.0 1.0
   40    43    50    56   2.61350 -1.0 2.0
   40    43    50    56   0.78400  1.0 3.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    50    56    57   7.00000 -1.0 2.0
   43    50    56    58   7.00000 -1.0 2.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    56  -0.18600  1.0 3.0
   50    56    58    59   0.28850  1.0 1.0
   50    56    58    59   2.61350 -1.0 2.0
   50    56    58    59   0.78400  1.0 3.0
   50    56    58    61  -0.18600  1.0 3.0
   51    50    56    57   7.00000 -1.0 2.0
   51    50    56    58   7.00000 -1.0 2.0
   56    58    59    60   7.00000 -1.0 2.0
   56    58    59    65   7.00000 -1.0 2.0
   56    58    61    62   0.00000  1.0 1.0
   56    58    61    63   0.00000  1.0 1.0
   56    58    61    64   0.00000  1.0 1.0
   57    56    58    59  -0.18600  1.0 3.0
   57    56    58    61   0.00000  1.0 1.0
   58    59    65    66  -0.18600  1.0 3.0
   58    59    65    67   0.28850  1.0 1.0
   58    59    65    67   2.61350 -1.0 2.0
   58    59    65    67   0.78400  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    64   0.00000  1.0 1.0
   59    65    67    68   7.00000 -1.0 2.0
   59    65    67    69   7.00000 -1.0 2.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67  -0.18600  1.0 3.0
   65    67    69    70  -0.18600  1.0 3.0
   65    67    69    71   0.28850  1.0 1.0
   65    67    69    71   2.61350 -1.0 2.0
   65    67    69    71   0.78400  1.0 3.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    69   7.00000 -1.0 2.0
   67    69    71    72   7.00000 -1.0 2.0
   67    69    71    74   7.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71  -0.18600  1.0 3.0
   69    71    72    73  -0.18600  1.0 3.0
   69    71    72    78   0.28850  1.0 1.0
   69    71    72    78   2.61350 -1.0 2.0
   69    71    72    78   0.78400  1.0 3.0
   69    71    74    75   0.00000  1.0 1.0
   69    71    74    76   0.00000  1.0 1.0
   69    71    74    77   0.00000  1.0 1.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    74   7.00000 -1.0 2.0
   71    72    78    79   7.00000 -1.0 2.0
   71    72    78    80   7.00000 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81  -0.18600  1.0 3.0
   72    78    80    82   0.28850  1.0 1.0
   72    78    80    82   2.61350 -1.0 2.0
   72    78    80    82   0.78400  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   78    80    82    83   7.00000 -1.0 2.0
   78    80    82    85   7.00000 -1.0 2.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82  -0.18600  1.0 3.0
   80    82    83    84  -0.18600  1.0 3.0
   80    82    83    89   0.28850  1.0 1.0
   80    82    83    89   2.61350 -1.0 2.0
   80    82    83    89   0.78400  1.0 3.0
   80    82    85    86   0.00000  1.0 1.0
   80    82    85    87   0.00000  1.0 1.0
   80    82    85    88   0.00000  1.0 1.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    85   7.00000 -1.0 2.0
   82    83    89    90   7.00000 -1.0 2.0
   82    83    89    91   7.00000 -1.0 2.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   83    82    85    88   0.00000  1.0 1.0
   83    89    91    92  -0.04000 -1.0 2.0
   83    89    91    92  -0.29050  1.0 3.0
   83    89    91    93  -0.04000 -1.0 2.0
   83    89    91    93  -0.29050  1.0 3.0
   84    83    89    90   7.00000 -1.0 2.0
   84    83    89    91   7.00000 -1.0 2.0
   90    89    91    92   0.00000  1.0 1.0
   90    89    91    93   0.00000  1.0 1.0
   85    82    83    84   0.00000  1.0 1.0
   85    82    83    89  -0.18600  1.0 3.0
   74    71    72    73   0.00000  1.0 1.0
   74    71    72    78  -0.18600  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    65   7.00000 -1.0 2.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    50   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
   33    39    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   33    45    40    43  15.00000 -1.0 2.0
   50    44    43    40  15.00000 -1.0 2.0
   43    51    50    56  15.00000 -1.0 2.0
   58    57    56    50  15.00000 -1.0 2.0
   56    61    58    59  15.00000 -1.0 2.0
   65    60    59    58  15.00000 -1.0 2.0
   59    66    65    67  15.00000 -1.0 2.0
   69    68    67    65  15.00000 -1.0 2.0
   67    70    69    71  15.00000 -1.0 2.0
   72    74    71    69  15.00000 -1.0 2.0
   71    73    72    78  15.00000 -1.0 2.0
   80    79    78    72  15.00000 -1.0 2.0
   78    81    80    82  15.00000 -1.0 2.0
   83    85    82    80  15.00000 -1.0 2.0
   82    84    83    89  15.00000 -1.0 2.0
   91    90    89    83  15.00000 -1.0 2.0
   92    89    91    93  10.50000 -1.0 2.0
END
