* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    147    222     423
    1     0 S   NP   _N1_     1    28.67521    96.54804   -23.81906
    2     1 S   H    _HN1     2     1.02950    71.66694    16.65038
    3     1 S   H    _H1_     3     1.02828    37.76399   175.55613
    4     1 S   H    _H2_     4     1.02785   107.38424   -87.47086
    5     1 S   CT   _CA1     5     1.50111   136.65897   117.25604
    6     5 S   HC   _HA1     6     1.09573   105.20093    93.10055
    7     5 S   CO3  _C1_     7     1.53785   112.46174   -27.15484
    8     7 S   O2Z  _O11     8     1.26372   115.00612   -42.72179
    9     7 S   O2Z  _O12     9     1.26239   114.94247   136.42554
   10     5 S   CT   _CB1    10     1.53079   107.42405  -148.90720
   11    10 S   HC   HB11    11     1.09833   109.37919   -49.69433
   12    10 S   HC   HB12    12     1.09814   110.44410    66.91141
   13    10 S   CT   _CG1    13     1.52996   112.60858  -170.66874
   14    13 S   HC   HG11    14     1.09581   110.63817   -65.53130
   15    13 S   HC   HG12    15     1.09669   109.78868    53.70802
   16    13 S   C    _CD1    16     1.51796   112.20390   174.17422
   17    16 S   O    _OE1    17     1.22740   123.28049     7.15514
   18    16 S   N    _N2_    18     1.38663   111.69728  -172.99504
   19    18 S   H    _HN2    19     1.01583   118.96054     1.71304
   20    18 S   CT1  _CA2    20     1.46148   123.30977   177.50432
   21    20 S   HC   _HA2    21     1.09734   109.33071     2.06279
   22    20 S   C    _C2_    22     1.53503   108.60669  -113.34395
   23    22 S   O    _O2_    23     1.23048   122.30995  -146.97274
   24    20 S   CT   _CB2    32     1.53270   111.70524   124.02569
   25    24 S   HC   HB21    33     1.09517   110.32054    56.72999
   26    24 S   HC   HB22    34     1.09527   109.83111   175.77135
   27    22 S   N    _N3_    24     1.38329   113.63097    40.46908
   28    27 S   H    _HN3    25     1.01589   119.59298    -3.39425
   29    24 S   S    _SG2    35     1.82723   111.49828   -64.54299
   30    27 S   CT   _CA3    26     1.45285   123.20740   177.02803
   31    30 S   HC   HA31    27     1.09551   107.52435   -64.10641
   32    30 S   HC   HA32    28     1.09556   107.97156    52.33384
   33    29 S   CT   _C17    36     1.84875    99.33818  -173.54451
   34    33 S   HC   _H4_    37     1.09258   106.90223    35.83507
   35    30 S   CO3  _C3_    29     1.52959   114.06350   174.31094
   36    35 S   O2Z  _O31    30     1.26378   116.05647    -0.92344
   37    35 S   O2Z  _O32    31     1.26426   114.41910   179.13747
   38    33 S   CM   _C12    38     1.53389   108.20464   153.97742
   39    38 S   CM   _C13    39     1.46612   113.82777    83.11210
   40    39 S   HC   _H12    40     1.08660   118.29116  -164.15317
   41    38 S   CM   _C11    52     1.36403   123.46240   -96.75160
   42    39 S   CM   _C14    41     1.33773   124.94839    15.40915
   43    42 S   HC   _H13    42     1.08381   121.54075  -178.90371
   44    41 S   CA   _C7_    53     1.48556   119.93137     1.12396
   45    41 S   CA   _C19    69     1.48581   121.02290  -178.59347
   46    42 S   CO4  _C15    43     1.47947   120.74466     3.13993
   47    46 S   O    _O35    44     1.22988   119.64741  -178.38808
   48    44 S   CA   _C8_    54     1.40027   119.92821   -96.53195
   49    48 S   HA   _H9_    55     1.08732   120.69113    -0.17359
   50    45 S   CA   _C20    70     1.40063   120.23348    82.08598
   51    50 S   HA   _H17    71     1.08739   120.65834    -0.45284
   52    33 S   CT   _C16    45     1.53697   111.10036   -81.42704
   53    52 S   HC   _H3_    46     1.09736   111.42657    45.86134
   54    48 S   CA   _C9_    56     1.39317   120.05576   179.42223
   55    54 S   HA   _H10    57     1.08621   119.37936  -179.88131
   56    50 S   CA   _C21    72     1.39303   120.05589   179.61590
   57    56 S   HA   _H18    73     1.08621   119.38744   179.88131
   58    52 S   OS   _O36    47     1.43112   110.86045   168.63703
   59    54 S   CA   _C10    58     1.39565   119.68052    -0.11535
   60    56 S   CA   _C22    74     1.39561   119.65657    -0.15826
   61    58 S   CT   _C18    48     1.42146   112.99368   -88.25505
   62    61 S   HC   _H14    49     1.09331   108.21564   179.26325
   63    61 S   HC   _H15    50     1.09335   111.12443    60.29436
   64    61 S   HC   _H16    51     1.09420   110.38773   -62.18978
   65    59 S   CA   _C5_    59     1.40022   121.21287     0.15066
   66    59 S   OH   _O34    67     1.37045   119.76720  -179.68225
   67    66 S   HO   _H11    68     0.97203   108.83462    -0.06256
   68    60 S   CA   _C23    75     1.40064   121.22983    -0.05595
   69    60 S   OH   _O38    83     1.37055   119.75160   180.00000
   70    69 S   HO   _H23    84     0.97206   108.82130     0.12195
   71    44 S   CA   _C6_    60     1.40529   120.29464    83.43528
   72    71 S   HA   _H8_    61     1.08644   118.43136     0.82780
   73    65 S   OS   _O33    62     1.37047   116.16080  -179.67135
   74    45 S   CA   _C24    76     1.40506   119.92529   -98.64465
   75    74 S   HA   _H19    77     1.08642   118.44110     0.64102
   76    68 S   OS   _O37    78     1.37064   116.07924  -179.94766
   77    73 S   CT   _C4_    63     1.42255   117.06965   174.47341
   78    77 S   HC   _H5_    64     1.09425   107.74860  -176.65379
   79    77 S   HC   _H6_    65     1.09486   111.03207    65.66565
   80    77 S   HC   _H7_    66     1.09504   111.25246   -58.86799
   81    76 S   CT   _C25    79     1.42237   117.14998   179.52235
   82    81 S   HC   _H20    80     1.09430   107.74801  -179.67434
   83    81 S   HC   _H21    81     1.09500   111.12771    62.60454
   84    81 S   HC   _H22    82     1.09504   111.15624   -61.93567
  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
  14   7   2   1   1  15   9   4  16   6   3  12  11   5   3   8
   4   8   4   6   2   7   3   7   3   4   7   7   3   2   1   1
   9   3   1   9   3   1   3   1   4   3   1   4   3   2   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    52    53    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    46    47    52    53    58    61    41    44    45  
   38    39    46    52    53    58    41  
   36    37  
   37  
    0  
   39    40    42    43    46    52    53    58    41    44    48    71    45    50    74  
   40    42    43    46    47    52    41    44    45  
   42    43    46    41  
   44    48    49    54    65    71    72    45    50    51    56    68    74    75    42    52  
   43    46    47    52    53    58  
   46    47    52  
   48    49    54    55    59    65    71    72    73    45    50    74  
   50    51    56    57    60    68    74    75    76    48    71  
   47    52    53    58    61  
   52    53    58  
   49    54    55    59    65    71    72    66  
   54    55    59    71  
   51    56    57    60    68    74    75    69  
   56    57    60    74  
   53    58    61    62    63    64  
   58    61  
   55    59    65    71    73    66    67  
   59    65    66  
   57    60    68    74    76    69    70  
   60    68    69  
   61    62    63    64  
   65    71    72    73    77    66    67  
   68    74    75    76    81    69    70  
   62    63    64  
   63    64  
   64  
    0  
   71    72    73    77    78    79    80    66    67  
   67    71    73  
    0  
   74    75    76    81    82    83    84    69    70  
   70    74    76  
    0  
   72    73    77  
   73  
   77    78    79    80  
   75    76    81  
   76  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   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  -0.335000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    52   268.000  1.529
   38    39   380.000  1.444
   38    41   549.000  1.340
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    58   320.000  1.410
   58    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    44   320.000  1.460
   41    45   320.000  1.460
   44    48   469.000  1.400
   44    71   469.000  1.400
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    65   469.000  1.400
   59    66   450.000  1.364
   65    71   469.000  1.400
   65    73   450.000  1.364
   71    72   367.000  1.080
   73    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   66    67   553.000  0.945
   45    50   469.000  1.400
   45    74   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    68   469.000  1.400
   60    69   450.000  1.364
   68    74   469.000  1.400
   68    76   450.000  1.364
   74    75   367.000  1.080
   76    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   553.000  0.945
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    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    52    46    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    58    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    42    70.00000  123.01800
   38    41    44    60.00000  123.20500
   38    41    45    60.00000  123.20500
   39    42    43    35.00000  120.00000
   39    42    46    65.00000  118.96000
   42    39    40    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    52    65.00000  118.62400
   46    42    43    40.00000  117.72500
   46    52    53    35.00000  109.50000
   46    52    58    90.00000  108.74100
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    46    47    80.00000  120.40000
   52    58    61    60.00000  109.50000
   58    52    53    35.00000  109.50000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    38    39    70.00000  123.01800
   41    44    48    60.00000  120.93500
   41    44    71    60.00000  120.93500
   41    45    50    60.00000  120.93500
   41    45    74    60.00000  120.93500
   44    48    49    35.00000  120.00000
   44    48    54    63.00000  120.00000
   44    71    65    63.00000  120.00000
   44    71    72    35.00000  120.00000
   48    54    55    35.00000  120.00000
   48    54    59    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    59    65    63.00000  120.00000
   54    59    66    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    65    71    63.00000  120.00000
   59    65    73    70.00000  120.00000
   59    66    67    35.00000  113.00000
   65    71    72    35.00000  120.00000
   65    73    77    75.00000  111.00000
   71    44    48    63.00000  120.00000
   73    65    71    70.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   66    59    65    70.00000  120.00000
   45    41    44    60.00000  122.92000
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    74    68    63.00000  120.00000
   45    74    75    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    60    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    60    68    63.00000  120.00000
   56    60    69    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    68    74    63.00000  120.00000
   60    68    76    70.00000  120.00000
   60    69    70    35.00000  113.00000
   68    74    75    35.00000  120.00000
   68    76    81    75.00000  111.00000
   74    45    50    63.00000  120.00000
   76    68    74    70.00000  120.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    60    68    70.00000  120.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   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    52    46   0.56750  1.0 1.0
   29    33    52    46  -0.07550 -1.0 2.0
   29    33    52    46   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.56750  1.0 1.0
   29    33    52    58  -0.07550 -1.0 2.0
   29    33    52    58   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    41    44   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    52    58    61   0.06250  1.0 1.0
   33    52    58    61  -0.01100 -1.0 2.0
   33    52    58    61   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    52    46  -0.11250  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    58   0.23400  1.0 3.0
   38    33    52    46  -0.98800  1.0 1.0
   38    33    52    46   0.48800 -1.0 2.0
   38    33    52    46   0.76800  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    58   0.61850  1.0 1.0
   38    33    52    58  -0.22750 -1.0 2.0
   38    33    52    58   0.15300  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    46   7.00000 -1.0 2.0
   38    41    44    48   0.15800  1.0 1.0
   38    41    44    48   1.85350 -1.0 2.0
   38    41    44    48  -0.48700  1.0 3.0
   38    41    44    71   0.15800  1.0 1.0
   38    41    44    71   1.85350 -1.0 2.0
   38    41    44    71  -0.48700  1.0 3.0
   38    41    45    50   0.15800  1.0 1.0
   38    41    45    50   1.85350 -1.0 2.0
   38    41    45    50  -0.48700  1.0 3.0
   38    41    45    74   0.15800  1.0 1.0
   38    41    45    74   1.85350 -1.0 2.0
   38    41    45    74  -0.48700  1.0 3.0
   39    38    41    44   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    42    46    47   1.00000 -1.0 2.0
   39    42    46    52  -0.33500  1.0 1.0
   39    42    46    52   1.06600 -1.0 2.0
   39    42    46    52  -0.14000  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    46   7.00000 -1.0 2.0
   42    46   -52    33   0.65300  1.0 1.0
   42    46   -52    33  -0.03850 -1.0 2.0
   42    46   -52    33   0.33900  1.0 3.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    58   0.65300  1.0 1.0
   42    46    52    58  -0.03850 -1.0 2.0
   42    46    52    58   0.33900  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    52   0.04550  1.0 1.0
   43    42    46    52   0.83000 -1.0 2.0
   43    42    46    52  -0.04000  1.0 3.0
   46    52    58    61  -1.11000  1.0 1.0
   46    52    58    61   0.50250 -1.0 2.0
   46    52    58    61   0.47450  1.0 3.0
   47    46    52    33   0.30150 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    58   0.30150 -1.0 2.0
   52    33   -38    39   0.98200  1.0 1.0
   52    33   -38    39  -0.11900 -1.0 2.0
   52    33   -38    39   0.24250  1.0 3.0
   52    33    38    41   0.09850  1.0 1.0
   52    33    38    41   0.15250 -1.0 2.0
   52    33    38    41  -0.50650  1.0 3.0
   52    58    61    62   0.37050  1.0 3.0
   52    58    61    63   0.37050  1.0 3.0
   52    58    61    64   0.37050  1.0 3.0
   53    52    58    61   0.37050  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    42   0.28850  1.0 1.0
   41    38    39    42   2.61350 -1.0 2.0
   41    38    39    42   0.78400  1.0 3.0
   41    44    48    49   3.62500 -1.0 2.0
   41    44    48    54   3.62500 -1.0 2.0
   41    44    71    65   3.62500 -1.0 2.0
   41    44    71    72   3.62500 -1.0 2.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    56   3.62500 -1.0 2.0
   41    45    74    68   3.62500 -1.0 2.0
   41    45    74    75   3.62500 -1.0 2.0
   44    41    45    50  -0.01750  1.0 1.0
   44    41    45    50  -0.32000 -1.0 2.0
   44    41    45    50   0.00600  1.0 3.0
   44    41    45    74  -0.01750  1.0 1.0
   44    41    45    74  -0.32000 -1.0 2.0
   44    41    45    74   0.00600  1.0 3.0
   44    48    54    55   3.62500 -1.0 2.0
   44    48    54    59   3.62500 -1.0 2.0
   48    44    71    65   3.62500 -1.0 2.0
   48    44    71    72   3.62500 -1.0 2.0
   48    54   -59    65   3.62500 -1.0 2.0
   48    54    59    66   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    59   3.62500 -1.0 2.0
   54    59    65    71   3.62500 -1.0 2.0
   54    59    65    73   3.62500 -1.0 2.0
   54    59    66    67   0.84100 -1.0 2.0
   55    54    59    65   3.62500 -1.0 2.0
   55    54    59    66   3.62500 -1.0 2.0
   59    65   -71    44   3.62500 -1.0 2.0
   59    65    71    72   3.62500 -1.0 2.0
   59    65    73    77   1.63200 -1.0 2.0
   65    59    66    67   0.84100 -1.0 2.0
   65    73    77    78   0.08050  1.0 3.0
   65    73    77    79   0.08050  1.0 3.0
   65    73    77    80   0.08050  1.0 3.0
   71    44    48    49   3.62500 -1.0 2.0
   71    44   -48    54   3.62500 -1.0 2.0
   71    65    73    77   1.63200 -1.0 2.0
   73    65    71    44   3.62500 -1.0 2.0
   73    65    71    72   3.62500 -1.0 2.0
   66    59    65    71   3.62500 -1.0 2.0
   66    59    65    73   3.62500 -1.0 2.0
   45    41    44    48  -0.01750  1.0 1.0
   45    41    44    48  -0.32000 -1.0 2.0
   45    41    44    48   0.00600  1.0 3.0
   45    41    44    71  -0.01750  1.0 1.0
   45    41    44    71  -0.32000 -1.0 2.0
   45    41    44    71   0.00600  1.0 3.0
   45    50    56    57   3.62500 -1.0 2.0
   45    50    56    60   3.62500 -1.0 2.0
   50    45    74    68   3.62500 -1.0 2.0
   50    45    74    75   3.62500 -1.0 2.0
   50    56   -60    68   3.62500 -1.0 2.0
   50    56    60    69   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    60   3.62500 -1.0 2.0
   56    60    68    74   3.62500 -1.0 2.0
   56    60    68    76   3.62500 -1.0 2.0
   56    60    69    70   0.84100 -1.0 2.0
   57    56    60    68   3.62500 -1.0 2.0
   57    56    60    69   3.62500 -1.0 2.0
   60    68   -74    45   3.62500 -1.0 2.0
   60    68    74    75   3.62500 -1.0 2.0
   60    68    76    81   1.63200 -1.0 2.0
   68    60    69    70   0.84100 -1.0 2.0
   68    76    81    82   0.08050  1.0 3.0
   68    76    81    83   0.08050  1.0 3.0
   68    76    81    84   0.08050  1.0 3.0
   74    45    50    51   3.62500 -1.0 2.0
   74    45   -50    56   3.62500 -1.0 2.0
   74    68    76    81   1.63200 -1.0 2.0
   76    68    74    45   3.62500 -1.0 2.0
   76    68    74    75   3.62500 -1.0 2.0
   69    60    68    74   3.62500 -1.0 2.0
   69    60    68    76   3.62500 -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   1.10000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   42    52    46    47  10.50000 -1.0 2.0
   44    45    41    38   1.10000 -1.0 2.0
   48    71    44    41   4.00000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   59    55    54    48   1.10000 -1.0 2.0
   65    66    59    54   4.00000 -1.0 2.0
   71    73    65    59   4.00000 -1.0 2.0
   65    72    71    44   1.10000 -1.0 2.0
   50    74    45    41   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   60    57    56    50   1.10000 -1.0 2.0
   68    69    60    56   4.00000 -1.0 2.0
   74    76    68    60   4.00000 -1.0 2.0
   68    75    74    45   1.10000 -1.0 2.0
END
