* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    166    261     491
    1     0 S   NP   _N1_     1    29.44211    96.27341   -24.99998
    2     1 S   H    _HN1     2     1.02954    78.05333    -4.27640
    3     1 S   H    _H1_     3     1.02832    29.01414   176.20821
    4     1 S   H    _H2_     4     1.02783   118.53112  -108.80998
    5     1 S   CT   _CA1     5     1.50123   122.40926   102.43741
    6     5 S   HC   _HA1     6     1.09573   105.21512    89.02490
    7     5 S   CO3  _C1_     7     1.53775   112.41258   -31.21137
    8     7 S   O2Z  _O11     8     1.26367   114.99801   -43.40792
    9     7 S   O2Z  _O12     9     1.26236   114.94149   135.71236
   10     5 S   CT   _CB1    10     1.53083   107.42236  -153.02427
   11    10 S   HC   HB11    11     1.09831   109.34878   -50.23462
   12    10 S   HC   HB12    12     1.09816   110.42675    66.32964
   13    10 S   CT   _CG1    13     1.53020   112.66336  -171.27341
   14    13 S   HC   HG11    14     1.09587   110.56421   -64.98029
   15    13 S   HC   HG12    15     1.09659   109.86412    54.25224
   16    13 S   C    _CD1    16     1.51818   112.23631   174.66987
   17    16 S   O    _OE1    17     1.22779   123.17935     4.02516
   18    16 S   N    _N2_    18     1.38586   111.70716  -176.44526
   19    18 S   H    _HN2    19     1.01594   119.11635     2.91725
   20    18 S   CT1  _CA2    20     1.45755   122.92736   176.72984
   21    20 S   HC   _HA2    21     1.09408   110.06099    13.15742
   22    20 S   C    _C2_    22     1.52617   104.80450  -105.10899
   23    22 S   O    _O2_    23     1.23066   122.08573   -71.72547
   24    20 S   CT   _CB2    32     1.52965   112.09806   136.04356
   25    24 S   HC   HB21    33     1.09572   111.05604    50.95186
   26    24 S   HC   HB22    34     1.09421   108.85117   169.98144
   27    22 S   N    _N3_    24     1.38468   113.41657   104.76702
   28    27 S   H    _HN3    25     1.01776   119.88621     2.08450
   29    24 S   S    _SG2    35     1.82899   111.00811   -69.83749
   30    27 S   CT   _CA3    26     1.45445   122.12749   179.67979
   31    30 S   HC   HA31    27     1.09573   106.88617   -78.34949
   32    30 S   HC   HA32    28     1.09564   109.10445    37.72298
   33    29 S   CT   _C18    36     1.84496    99.45388  -176.90370
   34    33 S   HC   _H8_    37     1.09590   105.05051   -51.92406
   35    30 S   CO3  _C3_    29     1.52611   113.37951   159.42987
   36    35 S   O2Z  _O31    30     1.26328   115.31136   -57.16959
   37    35 S   O2Z  _O32    31     1.26404   115.10181   122.95354
   38    33 S   CA   _C19    38     1.52068   111.06159  -168.39255
   39    33 S   CM   _C17    49     1.51380   109.39037    67.09794
   40    39 S   HC   _H24    50     1.08765   114.93124    58.02014
   41    38 S   CA   _C20    39     1.40449   119.52434   118.64815
   42    41 S   HA   _H25    40     1.08760   120.37118    -0.18975
   43    39 S   CMA  _C16    51     1.35803   125.67573  -118.92846
   44    43 S   OM   _O38    52     1.26320   127.65712    -2.32734
   45    41 S   CA   _C21    41     1.39647   120.79986   179.65170
   46    45 S   HA   _H26    42     1.08623   119.89375   179.97202
   47    43 S   NE   _N4_    53     1.42519   120.26238   177.31803
   48    45 S   CA   _C22    43     1.39274   120.10285    -0.12195
   49    48 S   HA   _H27    44     1.08600   120.05871  -179.95577
   50    47 S   CT   _C4_    54     1.46986   121.71015    20.35724
   51    50 S   HC   _H9_    55     1.09518   111.95840   161.04315
   52    50 S   HC   _H10    56     1.09580   110.84754    42.51896
   53    50 S   HC   _H11    57     1.09477   110.53683   -78.48223
   54    47 S   CT   _C5_    58     1.48538   123.86074  -151.95332
   55    54 S   HC   _H12    59     1.09718   110.23655   -51.62379
   56    54 S   HC   _H13    60     1.09744   110.51222  -166.85047
   57    48 S   CA   _C23    45     1.39273   119.87915    -0.07662
   58    57 S   HA   _H28    46     1.08622   119.99856  -179.86012
   59    54 S   CT   _C6_    61     1.53465   112.16603    70.62343
   60    59 S   HC   _H14    62     1.09721   108.38043  -174.45006
   61    59 S   HC   _H15    63     1.09638   110.43469   -58.38351
   62    38 S   CA   _C24    47     1.40555   122.13027   -62.04874
   63    62 S   HA   _H29    48     1.08732   120.53922     0.36530
   64    59 S   C5B  _C7_    64     1.48833   114.04946    65.41373
   65    64 S   C5A  _C8_    65     1.38056   128.59498  -127.60033
   66    65 S   HA   _H16    66     1.08092   132.13724     0.18767
   67    65 S   NA   _N5_    67     1.36617   105.13510  -179.96044
   68    67 S   CRA  _C9_    68     1.36773   107.47040     0.49456
   69    68 S   HA   _H17    69     1.08146   122.73118   179.62361
   70    67 S   CO   _C10    71     1.45911   127.39373   179.49642
   71    70 S   HC   _H3_    72     1.09844   105.89436   154.70101
   72    64 S   N5B  _N6_    70     1.37750   120.90170    53.42152
   73    70 S   CT   _C11    73     1.53307   111.95617   -84.17245
   74    73 S   HC   _H4_    74     1.09631   110.48057    53.97511
   75    73 S   CT   _C12    75     1.53287   110.48842   175.43091
   76    75 S   HC   _H5_    76     1.09672   110.13626    73.96118
   77    73 S   OH   _O37    91     1.42950   110.24051   -63.88790
   78    77 S   HO   _H23    92     0.97217   108.39888   -66.69256
   79    75 S   CT   _C13    77     1.53146   111.81137   -48.69395
   80    79 S   HC   _H6_    78     1.09391   108.67766   -73.46053
   81    75 S   OH   _O36    89     1.42963   109.49245  -170.41294
   82    81 S   HO   _H22    90     0.97693   108.02094    62.31897
   83    79 S   CT   _C14    79     1.53497   111.35309    48.39973
   84    83 S   HC   _H7_    80     1.09813   110.30874    66.37488
   85    79 S   OH   _O35    87     1.42774   109.70486   170.17795
   86    85 S   HO   _H21    88     0.97204   108.24554   -56.60972
   87    70 S   OS   _O33    81     1.42906   107.89530    38.08993
   88    83 S   CT   _C15    82     1.53243   112.37026  -174.04445
   89    88 S   HC   _H18    83     1.09432   110.92767   -66.44094
   90    88 S   HC   _H19    84     1.09494   110.36134   172.45681
   91    88 S   OH   _O34    85     1.42201   110.22211    53.52887
   92    91 S   HO   _H20    86     0.97407   107.64830   177.52156
  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
  13   6   2   1   1  12   8   3   8   4  10   3   6   3  11   5
   3   7   3   2   1   8   5   4   3   2   8   4   3   1   1   7
   9   4  11   6   2  14   6   1  12   7  13   7   4   1  12   7
   3   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    62    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    57    62    63    39    40    43    44    47  
   38    41    62    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    57    58    62    63    39    40    43  
   40    43    44    47    50    54    41    62  
   43    44    47  
   42    45    46    48    49    57    62    63  
   45    46    48    62  
   44    47    50    51    52    53    54    55    56    59  
   47    50    54  
   46    48    49    57    58    62  
   48    49    57  
   50    51    52    53    54    55    56    59    60    61    64  
   49    57    58    62    63  
   57    58    62  
   51    52    53    54    55    56    59  
   52    53    54  
   53    54  
   54  
   55    56    59    60    61    64    65    72  
   56    59    60    61    64  
   59    60    61    64  
   58    62    63  
   62    63  
   60    61    64    65    66    67    68    72  
   61    64    65    72  
   64    65    72  
   63  
    0  
   65    66    67    68    69    72    70  
   66    67    68    69    72    70    71    73    87  
   67    68    72    70  
   68    69    72    70    71    73    74    75    83    87    77  
   69    72    70    71    73    87  
   72    70  
   71    73    74    75    76    79    83    84    87    88    81    77    78    72  
   73    74    75    83    87    77  
    0  
   74    75    76    79    80    83    87    85    81    82    77    78  
   75    76    79    87    81    77    78  
   76    79    80    83    84    87    88    85    86    81    82    77    78  
   79    80    83    85    81    82    77  
   78    79    81    87  
    0  
   80    83    84    87    88    89    90    91    85    86    81    82  
   83    84    87    88    85    86    81  
   82    83    85  
    0  
   84    87    88    89    90    91    92    85    86  
   87    88    89    90    91    85  
   86    87    88  
    0  
   88    89    90    91  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   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   3.5000   0.0660   0.055300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.008100   2.4950   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.131900   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.286000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.187000   1.3810   1.2100   0.030040813   0.268726247
   67   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    62   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    50   382.000  1.448
   47    54   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   295.000  1.494
   64    65   520.000  1.370
   64    72   410.000  1.394
   65    66   367.000  1.080
   65    67   427.000  1.381
   67    68   477.000  1.343
   67    70   320.000  1.443
   68    69   367.000  1.080
   68    72   488.000  1.335
   70    71   340.000  1.090
   70    73   250.000  1.527
   70    87   320.000  1.380
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    77   320.000  1.410
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   320.000  1.410
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    85   320.000  1.410
   83    84   340.000  1.090
   83    87   320.000  1.410
   83    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   320.000  1.410
   91    92   553.000  0.945
   85    86   553.000  0.945
   81    82   553.000  0.945
   77    78   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    62    57    63.00000  120.00000
   38    62    63    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    57    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    57    58    35.00000  120.00000
   48    57    62    63.00000  120.00000
   57    48    49    35.00000  120.00000
   57    62    63    35.00000  120.00000
   62    38    41    63.00000  120.00000
   62    57    58    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    50    50.00000  121.00000
   43    47    54    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    59    80.00000  111.61500
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    47    50    50.00000  115.00000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    64    70.00000  112.62400
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    64    65    55.00000  127.77900
   59    64    72    65.00000  120.63000
   61    59    60    33.00000  107.80000
   64    59    60    45.00000  111.11700
   64    59    61    45.00000  111.11700
   64    65    66    35.00000  130.70000
   64    65    67    70.00000  106.30000
   64    72    68    70.00000  110.00000
   65    67    68    70.00000  109.80000
   65    67    70    65.00000  127.50000
   67    65    66    35.00000  121.60000
   67    68    69    35.00000  120.00000
   67    68    72    70.00000  120.00000
   67    70    71    50.00000  108.61900
   67    70    73    75.00000  111.19500
   67    70    87   105.00000  107.78000
   72    64    65    70.00000  111.00000
   72    68    69    35.00000  120.00000
   70    67    68    60.00000  127.66100
   70    73    74    45.00000  108.72000
   70    73    75    75.00000  109.43000
   70    73    77    90.00000  111.58700
   70    87    83    60.00000  109.50000
   73    70    71    45.00000  112.01100
   73    75    76    37.50000  110.70000
   73    75    79    58.35000  112.70000
   73    75    81    50.00000  109.50000
   73    77    78    55.00000  108.50000
   75    73    74    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    83    58.35000  112.70000
   75    79    85    50.00000  109.50000
   75    81    82    55.00000  108.50000
   79    75    76    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    87    50.00000  109.50000
   79    83    88    58.35000  112.70000
   79    85    86    55.00000  108.50000
   83    79    80    37.50000  110.70000
   83    88    89    37.50000  110.70000
   83    88    90    37.50000  110.70000
   83    88    91    50.00000  109.50000
   87    70    71    35.00000  109.50000
   87    70    73    90.00000  108.56700
   87    83    84    35.00000  109.50000
   88    83    84    37.50000  110.70000
   88    83    87    50.00000  109.50000
   88    91    92    55.00000  108.50000
   90    88    89    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   85    79    80    35.00000  109.50000
   85    79    83    50.00000  109.50000
   81    75    76    35.00000  109.50000
   81    75    79    50.00000  109.50000
   77    73    74    35.00000  109.50000
   77    73    75    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    62    57   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    62    57   3.62500 -1.0 2.0
   41    38    62    63   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    57   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    57    58   3.62500 -1.0 2.0
   45    48    57    62   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    57   3.62500 -1.0 2.0
   48    57   -62    38   3.62500 -1.0 2.0
   48    57    62    63   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    48    57    62   3.62500 -1.0 2.0
   58    57    62    38   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   62    38    41    42   3.62500 -1.0 2.0
   62    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    43    47    50  -0.54700  1.0 1.0
   39    43    47    50   1.23000 -1.0 2.0
   39    43    47    54  -0.54700  1.0 1.0
   39    43    47    54   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    52   0.00000  1.0 1.0
   43    47    50    53   0.00000  1.0 1.0
   43    47    54    55   0.00000  1.0 1.0
   43    47    54    56   0.00000  1.0 1.0
   43    47    54    59   0.25450  1.0 1.0
   43    47    54    59  -0.61700 -1.0 2.0
   43    47    54    59  -0.23550  1.0 3.0
   44    43    47    50   1.00000 -1.0 2.0
   44    43    47    54   1.00000 -1.0 2.0
   47    54    59    60   0.22950  1.0 3.0
   47    54    59    61   0.22950  1.0 3.0
   47    54    59    64   0.08550  1.0 1.0
   47    54    59    64   1.07500 -1.0 2.0
   47    54    59    64  -0.10950  1.0 3.0
   50    47    54    55   0.00000  1.0 1.0
   50    47    54    56   0.00000  1.0 1.0
   50    47    54    59   0.00000  1.0 1.0
   54    47    50    51   0.00000  1.0 1.0
   54    47    50    52   0.00000  1.0 1.0
   54    47    50    53   0.00000  1.0 1.0
   54    59    64    65   0.04150 -1.0 2.0
   54    59    64    72   0.29300  1.0 1.0
   54    59    64    72  -1.19700 -1.0 2.0
   54    59    64    72   0.60900  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    64   0.43200  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    64   0.43200  1.0 3.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    67   3.62500 -1.0 2.0
   59    64    72    68   3.62500 -1.0 2.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    72   0.00000  1.0 1.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    72   0.00000  1.0 1.0
   64    65   -67    68   1.40000 -1.0 2.0
   64    65    67    70   3.62500 -1.0 2.0
   65    64   -72    68   2.40000 -1.0 2.0
   65    67    68    69   2.32500 -1.0 2.0
   65    67   -68    72   2.32500 -1.0 2.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    73   1.10250  1.0 1.0
   65    67    70    73   0.01650 -1.0 2.0
   65    67    70    73   0.39100  1.0 3.0
   65    67    70    87   0.10350  1.0 1.0
   65    67    70    87  -0.15350 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    70   3.62500 -1.0 2.0
   67    68   -72    64   5.00000 -1.0 2.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75  -0.64600  1.0 1.0
   67    70    73    75   0.58400 -1.0 2.0
   67    70    73    77  -0.86350  1.0 1.0
   67    70    73    77   0.04750 -1.0 2.0
   67    70    87    83  -1.80200  1.0 1.0
   67    70    87    83  -0.72100 -1.0 2.0
   67    70    87    83  -0.12250  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    73   1.10250  1.0 1.0
   68    67    70    73   0.01650 -1.0 2.0
   68    67    70    73   0.39100  1.0 3.0
   68    67    70    87   0.10350  1.0 1.0
   68    67    70    87  -0.15350 -1.0 2.0
   69    68    72    64   5.00000 -1.0 2.0
   72    64    65    66   3.62500 -1.0 2.0
   72    64   -65    67   5.37500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    67    68    72   3.62500 -1.0 2.0
   70    73    75    76   0.15000  1.0 3.0
   70    73    75    79   3.97050  1.0 1.0
   70    73    75    81   0.86500  1.0 1.0
   70    73    75    81  -0.17500 -1.0 2.0
   70    73    75    81   0.20800  1.0 3.0
   70    73    77    78  -0.11600  1.0 1.0
   70    73    77    78  -0.09450 -1.0 2.0
   70    73    77    78   0.21250  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    77   0.23400  1.0 3.0
   71    70    87    83   0.37050  1.0 3.0
   73    70    87    83   0.06250  1.0 1.0
   73    70    87    83  -0.01100 -1.0 2.0
   73    70    87    83   0.28050  1.0 3.0
   73    75    79    80   0.15000  1.0 3.0
   73    75   -79    83   0.56750  1.0 1.0
   73    75   -79    83  -0.07550 -1.0 2.0
   73    75   -79    83   0.20000  1.0 3.0
   73    75    79    85   0.86500  1.0 1.0
   73    75    79    85  -0.17500 -1.0 2.0
   73    75    79    85   0.20800  1.0 3.0
   73    75    81    82  -0.11600  1.0 1.0
   73    75    81    82  -0.09450 -1.0 2.0
   73    75    81    82   0.21250  1.0 3.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    79   0.15000  1.0 3.0
   74    73    75    81   0.23400  1.0 3.0
   74    73    77    78   0.19450  1.0 3.0
   75    73    77    78  -0.11600  1.0 1.0
   75    73    77    78  -0.09450 -1.0 2.0
   75    73    77    78   0.21250  1.0 3.0
   75    79    83    84   0.15000  1.0 3.0
   75    79    83    87   0.62750  1.0 1.0
   75    79    83    87  -0.30950 -1.0 2.0
   75    79    83    87   0.27300  1.0 3.0
   75    79    83    88   0.56750  1.0 1.0
   75    79    83    88  -0.07550 -1.0 2.0
   75    79    83    88   0.20000  1.0 3.0
   75    79    85    86  -0.11600  1.0 1.0
   75    79    85    86  -0.09450 -1.0 2.0
   75    79    85    86   0.21250  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    83   0.15000  1.0 3.0
   76    75    79    85   0.23400  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   79    75    81    82  -0.11600  1.0 1.0
   79    75    81    82  -0.09450 -1.0 2.0
   79    75    81    82   0.21250  1.0 3.0
   79    83   -87    70   0.06250  1.0 1.0
   79    83   -87    70  -0.01100 -1.0 2.0
   79    83   -87    70   0.28050  1.0 3.0
   79    83    88    89   0.15000  1.0 3.0
   79    83    88    90   0.15000  1.0 3.0
   79    83    88    91   0.86500  1.0 1.0
   79    83    88    91  -0.17500 -1.0 2.0
   79    83    88    91   0.20800  1.0 3.0
   80    79    83    84   0.15000  1.0 3.0
   80    79    83    87   0.23400  1.0 3.0
   80    79    83    88   0.15000  1.0 3.0
   80    79    85    86   0.19450  1.0 3.0
   83    79    85    86  -0.11600  1.0 1.0
   83    79    85    86  -0.09450 -1.0 2.0
   83    79    85    86   0.21250  1.0 3.0
   83    88    91    92  -0.11600  1.0 1.0
   83    88    91    92  -0.09450 -1.0 2.0
   83    88    91    92   0.21250  1.0 3.0
   84    83    87    70   0.37050  1.0 3.0
   84    83    88    89   0.15000  1.0 3.0
   84    83    88    90   0.15000  1.0 3.0
   84    83    88    91   0.23400  1.0 3.0
   87    70    73    74   0.23400  1.0 3.0
   87    70   -73    75   0.62750  1.0 1.0
   87    70   -73    75  -0.30950 -1.0 2.0
   87    70   -73    75   0.27300  1.0 3.0
   87    70    73    77   3.69350  1.0 1.0
   87    70    73    77  -1.82950 -1.0 2.0
   87    83    88    89   0.23400  1.0 3.0
   87    83    88    90   0.23400  1.0 3.0
   87    83    88    91   3.69350  1.0 1.0
   87    83    88    91  -1.82950 -1.0 2.0
   88    83    87    70   0.06250  1.0 1.0
   88    83    87    70  -0.01100 -1.0 2.0
   88    83    87    70   0.28050  1.0 3.0
   89    88    91    92   0.19450  1.0 3.0
   90    88    91    92   0.19450  1.0 3.0
   85    79    83    84   0.23400  1.0 3.0
   85    79    83    87   3.69350  1.0 1.0
   85    79    83    87  -1.82950 -1.0 2.0
   85    79    83    88   0.86500  1.0 1.0
   85    79    83    88  -0.17500 -1.0 2.0
   85    79    83    88   0.20800  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   0.86500  1.0 1.0
   81    75    79    83  -0.17500 -1.0 2.0
   81    75    79    83   0.20800  1.0 3.0
   81    75    79    85   3.75450  1.0 1.0
   77    73    75    76   0.23400  1.0 3.0
   77    73    75    79   0.86500  1.0 1.0
   77    73    75    79  -0.17500 -1.0 2.0
   77    73    75    79   0.20800  1.0 3.0
   77    73    75    81   3.75450  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
   41    62    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   57    49    48    45   1.10000 -1.0 2.0
   62    58    57    48   1.10000 -1.0 2.0
   57    63    62    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   54    43    47    50   1.00000 -1.0 2.0
   65    72    64    59   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   68    70    67    65   4.00000 -1.0 2.0
   72    69    68    67   1.10000 -1.0 2.0
END
