* LIGAND DATABASE FILE (OPLS2005)
*
001      92    91    168    242     492
    1     0 S   NP   _N1_     1    28.76741    94.94508   -23.71370
    2     1 S   H    _HN1     2     1.02778   106.52436   -90.03008
    3     1 S   H    _H1_     3     1.02947    79.71800    16.29224
    4     1 S   H    _H2_     4     1.02826    29.76484   172.59750
    5     1 S   CT   _CA1     5     1.50089   133.30322   124.64709
    6     5 S   HC   _HA1     6     1.09565   105.15724    82.34036
    7     5 S   CO3  _C1_     7     1.53780   112.68340   -37.77802
    8     7 S   O2Z  _O11     8     1.26366   115.00838   -37.13023
    9     7 S   O2Z  _O12     9     1.26219   114.94690   142.11891
   10     5 S   CT   _CB1    10     1.53113   107.45843  -159.60064
   11    10 S   HC   HB11    11     1.09820   109.35697   -49.47059
   12    10 S   HC   HB12    12     1.09806   110.47213    67.22153
   13    10 S   CT   _CG1    13     1.52893   112.48436  -170.45799
   14    13 S   HC   HG11    14     1.09583   110.60029   -66.25819
   15    13 S   HC   HG12    15     1.09589   109.58591    52.90242
   16    13 S   C    _CD1    16     1.51730   112.66685   173.14682
   17    16 S   O    _OE1    17     1.22700   123.38660     3.14012
   18    16 S   N    _N2_    18     1.38645   111.46561  -176.72643
   19    18 S   H    _HN2    19     1.01456   118.96254     1.25117
   20    18 S   CT1  _CA2    20     1.46073   123.64616   177.75668
   21    20 S   HC   _HA2    21     1.09706   109.36467     1.51981
   22    20 S   C    _C2_    22     1.53529   108.46590  -114.31311
   23    22 S   O    _O2_    23     1.23063   122.19449  -149.54931
   24    20 S   CT   _CB2    32     1.53332   111.63597   123.64039
   25    24 S   HC   HB21    33     1.09589   110.08960    59.78849
   26    24 S   HC   HB22    34     1.09534   110.19885   178.75967
   27    22 S   N    _N3_    24     1.38309   113.80046    37.58386
   28    27 S   H    _HN3    25     1.01593   119.56173    -2.69581
   29    24 S   S    _SG2    35     1.82478   111.90035   -60.87173
   30    27 S   CT   _CA3    26     1.45262   123.22129   178.00208
   31    30 S   HC   HA31    27     1.09539   107.62739   -63.76783
   32    30 S   HC   HA32    28     1.09565   107.85445    52.69189
   33    29 S   CT   _C22    36     1.82585    98.80678  -179.81129
   34    33 S   HC   _H35    37     1.09481   108.92695   -44.13275
   35    33 S   HC   _H36    38     1.09514   107.01673    72.68179
   36    30 S   CO3  _C3_    29     1.52938   114.05347   174.69962
   37    36 S   O2Z  _O31    30     1.26369   116.05092     4.80811
   38    36 S   O2Z  _O32    31     1.26416   114.42646  -175.10315
   39    33 S   CT   _C21    39     1.53699   113.31916  -166.47121
   40    39 S   HC   _H3_    40     1.09729   107.11675   179.96574
   41    39 S   CT   _C20    41     1.53012   114.64347    60.20668
   42    41 S   HC   _H33    42     1.09676   109.53344   175.44327
   43    41 S   HC   _H34    43     1.09638   111.12892   -66.32989
   44    39 S   OH   _O35    91     1.42546   110.90577   -63.55807
   45    44 S   HO   _H37    92     0.97235   107.77583   -52.66278
   46    41 S   OS   _O34    44     1.43458   109.09113    56.47295
   47    46 S   CO4  _C19    45     1.36219   116.20559  -166.07460
   48    47 S   O    _O33    46     1.22358   126.15176    -1.67550
   49    47 S   CT   _C18    47     1.50896   109.97198   179.16725
   50    49 S   HC   _H31    48     1.09635   107.70974    55.72527
   51    49 S   HC   _H32    49     1.09606   108.60028   170.80469
   52    49 S   CT   _C17    50     1.52650   112.67497   -66.19410
   53    52 S   HC   _H29    51     1.09658   110.43763    51.57451
   54    52 S   HC   _H30    52     1.09688   108.40713   168.36263
   55    52 S   CT   _C16    53     1.53103   112.43361   -71.17114
   56    55 S   HC   _H27    54     1.09658   110.03776    59.36301
   57    55 S   HC   _H28    55     1.09685   109.48259   -58.20502
   58    55 S   CT   _C15    56     1.53028   111.12343  -179.47177
   59    58 S   HC   _H25    57     1.09673   109.83981    55.54483
   60    58 S   HC   _H26    58     1.09651   109.33725   -61.76846
   61    58 S   CT   _C14    59     1.52901   111.26093   176.78508
   62    61 S   HC   _H23    60     1.09473   109.71633    54.74919
   63    61 S   HC   _H24    61     1.09592   108.89635   -62.02661
   64    61 S   CT   _C13    62     1.53177   111.41367   176.66880
   65    64 S   HC   _H21    63     1.09729   109.36911    65.22310
   66    64 S   HC   _H22    64     1.09690   109.44685   -51.28544
   67    64 S   CT   _C12    65     1.53239   113.27439  -171.99207
   68    67 S   HC   _H19    66     1.09629   109.20524    63.56650
   69    67 S   HC   _H20    67     1.09652   108.75452   179.39510
   70    67 S   CM   _C11    68     1.50099   113.09879   -60.34137
   71    70 S   HC   _H18    69     1.08714   116.76843   -59.83226
   72    70 S   CM   _C10    70     1.34158   123.61672   119.68220
   73    72 S   HC   _H17    71     1.08721   119.47920     0.74599
   74    72 S   CT   _C9_    72     1.50127   123.76051  -178.67574
   75    74 S   HC   _H15    73     1.09688   110.93725    -1.79646
   76    74 S   HC   _H16    74     1.09664   108.10037  -118.31016
   77    74 S   CT   _C8_    75     1.53276   112.97759   121.37952
   78    77 S   HC   _H13    76     1.09708   108.29931   175.74154
   79    77 S   HC   _H14    77     1.09734   109.68952    59.67249
   80    77 S   CT   _C7_    78     1.53171   113.13895   -62.99284
   81    80 S   HC   _H11    79     1.09557   109.84370    63.25281
   82    80 S   HC   _H12    80     1.09671   109.67938   -54.38238
   83    80 S   CT   _C6_    81     1.52973   111.45398  -175.82228
   84    83 S   HC   _H9_    82     1.09654   109.71444   -56.03111
   85    83 S   HC   _H10    83     1.09676   109.57010    61.26858
   86    83 S   CT   _C5_    84     1.52873   111.16535  -177.34406
   87    86 S   HC   _H7_    85     1.09643   109.86686    58.61732
   88    86 S   HC   _H8_    86     1.09620   109.86317   -59.09178
   89    86 S   CT   _C4_    87     1.52015   111.50290   179.70658
   90    89 S   HC   _H4_    88     1.09467   111.00414    60.24867
   91    89 S   HC   _H5_    89     1.09449   110.25747  -180.00000
   92    89 S   HC   _H6_    90     1.09470   110.99079   -60.27356
  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   7   5   4   3
  10   5   4   2   1   1   8   6   8   4   3   2   1   6   8   4
   9   5   4   9   5   4   9   5   4   9   5   4   9   5   4   8
   5   4   7   4   3   7   3   8   4   9   5   4   9   5   4   9
   5   4   9   5   4   6   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    46    47    44    45  
   41    42    43    46    44    45  
   42    43    46    47    48    49    44    45  
   43    46    47    44  
   46    47    44  
   45    46  
    0  
   47    48    49    50    51    52  
   48    49    50    51    52    53    54    55  
   49    50    51    52  
   50    51    52    53    54    55    56    57    58  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    60    61  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89    90    91    92  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92  
   88    89    90    91    92  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   214.000  1.327
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   340.000  1.080
   72    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   44    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    46    50.00000  109.50000
   39    44    45    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    46    47    83.00000  116.90000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    47    48    83.00000  123.40000
   46    47    49    81.00000  111.40000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    52    63.00000  111.10000
   49    47    48    80.00000  120.40000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    70.00000  112.02700
   74    72    73    35.00000  117.00000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    46    47  -0.25900  1.0 1.0
   39    41    46    47  -0.47000 -1.0 2.0
   39    41    46    47   0.11750  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45  -0.11600  1.0 1.0
   41    39    44    45  -0.09450 -1.0 2.0
   41    39    44    45   0.21250  1.0 3.0
   41    46    47    48   3.00000 -1.0 2.0
   41    46    47    49   1.63150  1.0 1.0
   41    46    47    49   2.92000 -1.0 2.0
   42    41    46    47   0.08050  1.0 3.0
   43    41    46    47   0.08050  1.0 3.0
   46    47    49    50   0.00000  1.0 1.0
   46    47    49    51   0.00000  1.0 1.0
   46    47    49    52   0.36750  1.0 3.0
   47    49    52    53  -0.11250  1.0 3.0
   47    49    52    54  -0.11250  1.0 3.0
   47    49    52    55  -0.95700  1.0 1.0
   47    49    52    55  -0.18200 -1.0 2.0
   47    49    52    55   0.29450  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    52   0.30150 -1.0 2.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    58   0.56750  1.0 1.0
   49    52    55    58  -0.07550 -1.0 2.0
   49    52    55    58   0.20000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60   0.15000  1.0 3.0
   52    55    58    61   0.56750  1.0 1.0
   52    55    58    61  -0.07550 -1.0 2.0
   52    55    58    61   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    64   0.56750  1.0 1.0
   55    58    61    64  -0.07550 -1.0 2.0
   55    58    61    64   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.56750  1.0 1.0
   58    61    64    67  -0.07550 -1.0 2.0
   58    61    64    67   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.34400  1.0 1.0
   61    64    67    70   0.09450 -1.0 2.0
   61    64    67    70   0.11100  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.09850  1.0 1.0
   64    67    70    72   0.15250 -1.0 2.0
   64    67    70    72  -0.50650  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    74   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    74    75   0.00000  1.0 1.0
   70    72    74    76   0.00000  1.0 1.0
   70    72    74    77   0.09850  1.0 1.0
   70    72    74    77   0.15250 -1.0 2.0
   70    72    74    77  -0.50650  1.0 3.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    74   7.00000 -1.0 2.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    80   0.34400  1.0 1.0
   72    74    77    80   0.09450 -1.0 2.0
   72    74    77    80   0.11100  1.0 3.0
   73    72    74    75   0.33100  1.0 3.0
   73    72    74    76   0.33100  1.0 3.0
   73    72    74    77   0.00000  1.0 1.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    82   0.15000  1.0 3.0
   74    77    80    83   0.56750  1.0 1.0
   74    77    80    83  -0.07550 -1.0 2.0
   74    77    80    83   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86   0.56750  1.0 1.0
   77    80    83    86  -0.07550 -1.0 2.0
   77    80    83    86   0.20000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89   0.56750  1.0 1.0
   80    83    86    89  -0.07550 -1.0 2.0
   80    83    86    89   0.20000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   83    86    89    90   0.15000  1.0 3.0
   83    86    89    91   0.15000  1.0 3.0
   83    86    89    92   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   87    86    89    90   0.15000  1.0 3.0
   87    86    89    91   0.15000  1.0 3.0
   87    86    89    92   0.15000  1.0 3.0
   88    86    89    90   0.15000  1.0 3.0
   88    86    89    91   0.15000  1.0 3.0
   88    86    89    92   0.15000  1.0 3.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    46   3.69350  1.0 1.0
   44    39    41    46  -1.82950 -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
   37    30    36    38  10.50000 -1.0 2.0
   46    49    47    48  10.50000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   74    73    72    70  15.00000 -1.0 2.0
END
