* LIGAND DATABASE FILE (OPLS2005)
*
001      96   103    191    340     582
    1     0 S   NP   _N1_     1    28.25022    95.34179   -24.18258
    2     1 S   H    _HN1     2     1.02957    74.72887    14.93850
    3     1 S   H    _H1_     3     1.02835    33.64707   178.45465
    4     1 S   H    _H2_     4     1.02777   110.19626   -89.36251
    5     1 S   CT   _CA1     5     1.50130   132.37308   118.81609
    6     5 S   HC   _HA1     6     1.09575   105.21263    89.93901
    7     5 S   CO3  _C1_     7     1.53784   112.34695   -30.24728
    8     7 S   O2Z  _O11     8     1.26366   114.99730   -44.20121
    9     7 S   O2Z  _O12     9     1.26233   114.92877   134.86604
   10     5 S   CT   _CB1    10     1.53093   107.41799  -152.16066
   11    10 S   HC   HB11    11     1.09828   109.32585   -50.48057
   12    10 S   HC   HB12    12     1.09816   110.43252    66.07321
   13    10 S   CT   _CG1    13     1.53022   112.67538  -171.54348
   14    13 S   HC   HG11    14     1.09594   110.49579   -64.51023
   15    13 S   HC   HG12    15     1.09658   109.90938    54.68901
   16    13 S   C    _CD1    16     1.51851   112.30257   175.05866
   17    16 S   O    _OE1    17     1.22754   123.24649     0.75511
   18    16 S   N    _N2_    18     1.38546   111.69751  -179.15142
   19    18 S   H    _HN2    19     1.01542   119.05901     4.22438
   20    18 S   CT1  _CA2    20     1.45776   122.88627   178.28286
   21    20 S   HC   _HA2    21     1.09775   108.77361    25.95669
   22    20 S   C    _C2_    22     1.52997   107.76981   -90.61873
   23    22 S   O    _O2_    23     1.22957   123.14739   -25.35315
   24    20 S   CT   _CB2    32     1.53205   112.03909   149.18507
   25    24 S   HC   HB21    33     1.09543   110.72689    46.67669
   26    24 S   HC   HB22    34     1.09088   109.25787   165.23547
   27    22 S   N    _N3_    24     1.38692   112.37135   157.20099
   28    27 S   H    _HN3    25     1.01706   120.15117    -1.22333
   29    24 S   S    _SG2    35     1.82720   110.43862   -74.01921
   30    27 S   CT   _CA3    26     1.45312   122.55251   177.93778
   31    30 S   HC   HA31    27     1.09565   107.66446   -58.73246
   32    30 S   HC   HA32    28     1.09570   107.63477    57.47492
   33    29 S   CT   _C30    36     1.88495   101.35265  -162.38753
   34    33 S   OM   _O39    37     1.32275   108.42592   173.45875
   35    30 S   CO3  _C3_    29     1.52947   114.59660   179.62310
   36    35 S   O2Z  _O31    30     1.26340   116.27759     6.48534
   37    35 S   O2Z  _O32    31     1.26472   114.33303  -173.60331
   38    33 S   CA   _C29    38     1.54008   107.39674   -70.64305
   39    38 S   CA   _C24    39     1.39859   120.51145   106.81158
   40    39 S   CA   _C25    40     1.40611   122.33846  -175.84994
   41    40 S   HA   _H16    41     1.08819   120.12629  -179.40620
   42    39 S   CO4  _C23    52     1.46872   119.58052     3.05813
   43    42 S   O    _O37    53     1.22804   118.07548  -148.73832
   44    40 S   CA   _C26    42     1.39546   120.58531     0.40397
   45    42 S   CT   _C22    54     1.52809   117.61120    32.88336
   46    44 S   CA   _C27    43     1.39335   118.59738    -0.77050
   47    46 S   HA   _H17    44     1.08747   120.20227  -179.33795
   48    44 S   CT   _C33    48     1.49806   120.66226  -178.28149
   49    48 S   HC   _H19    49     1.09433   110.01223    87.85229
   50    48 S   HC   _H20    50     1.09512   110.95776  -151.66681
   51    48 S   HC   _H21    51     1.09512   110.90460   -32.64911
   52    33 S   CM   _C31    55     1.56101   109.83714    56.71366
   53    45 S   CT   _C14    68     1.57481   110.64915    71.60017
   54    53 S   HC   _H3_    69     1.09508   112.84563   -19.45273
   55    38 S   CA   _C28    45     1.41802   123.65768   -68.35067
   56    52 S   CMA  _C32    56     1.37440   125.09603    55.89992
   57    56 S   OM   _O38    57     1.26331   132.89420    -1.20820
   58    53 S   CO4  _C13    70     1.53242   113.99564  -145.14011
   59    58 S   O    _O35    71     1.23008   120.97074   114.67020
   60    55 S   OH   _O40    46     1.37398   122.27318    -3.49076
   61    60 S   HO   _H18    47     0.97613   107.06943    -6.80028
   62    56 S   CT   _C19    58     1.53838   117.00372  -179.16280
   63    62 S   HC   _H6_    59     1.09988   112.54269   168.66075
   64    58 S   CT   _C12    72     1.53400   116.15025   -71.13126
   65    64 S   HC   _H15    73     1.10337   102.79920   -96.10201
   66    62 S   CT   _C20    60     1.53135   104.68903    51.34944
   67    66 S   HC   _H7_    61     1.09478   114.54240    39.21484
   68    64 S   CO4  _C11    74     1.51398   117.30256   150.78355
   69    68 S   O    _O34    75     1.22585   123.39813    11.42348
   70    45 S   CT   _C21    62     1.58390   108.16451  -175.65179
   71    70 S   HC   _H8_    63     1.09492   114.93124   -15.80744
   72    68 S   CA   _C8_    76     1.49148   116.29526  -173.40730
   73    66 S   OH   _O41    95     1.41959   111.79462   162.35741
   74    73 S   HO   _H22    96     0.97537   106.69390   -84.00802
   75    70 S   CT   _C16    64     1.53340   103.00146  -135.10702
   76    75 S   HC   _H5_    65     1.09471   110.79169   161.71083
   77    72 S   CA   _C7_    77     1.40373   119.68825     6.47096
   78    75 S   CT   _C15    66     1.52419   101.86157    42.74947
   79    78 S   HC   _H4_    67     1.09518   112.12456  -172.86265
   80    77 S   CA   _C6_    78     1.40149   120.54227  -176.50274
   81    80 S   HA   _H12    79     1.08804   120.32176  -179.27368
   82    77 S   CO4  _C18    90     1.48794   120.83217     5.40291
   83    82 S   O    _O36    91     1.22550   119.89846  -161.66227
   84    80 S   CA   _C5_    80     1.39940   120.36848    -0.22468
   85    62 S   CT   _C17    92     1.59686   115.64760   -62.51657
   86    78 S   OH   _O42    93     1.42004   111.12972    66.63471
   87    86 S   HO   _H23    94     0.97233   107.54287  -173.10383
   88    84 S   CA   _C10    81     1.39892   119.12100    -1.33060
   89    88 S   HA   _H13    82     1.08791   119.97072  -178.49104
   90    84 S   CT   _C4_    86     1.49933   120.40320  -178.19398
   91    90 S   HC   _H9_    87     1.09432   110.00377    87.93405
   92    90 S   HC   _H10    88     1.09510   110.92632  -151.57013
   93    90 S   HC   _H11    89     1.09511   110.89741   -32.57063
   94    72 S   CA   _C9_    83     1.40096   121.52621  -171.43347
   95    94 S   OH   _O33    84     1.36914   123.40502    -2.99343
   96    95 S   HO   _H14    85     0.97464   108.65877    -4.33011
  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
  15   6   2   1   1  14  13  12   4  14   4   8  20   8   3   4
   2   1   1  14  17   8   2  11   4  14   5   1   1  17   8  14
   6  10   6  10   4  10   5  12   3   1   9   5  10   5   3  12
   4   4   1   8   1   1   1   8   3   4   2   1   1   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    55    45    52    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    46    55    60    42    45    52    56    57    62    70    53  
   38    39    55    45    52    56  
   36    37  
   37  
    0  
   39    40    41    44    46    47    55    60    61    42    43    45    52    56  
   40    41    44    46    55    60    48    42    43    45    52    70    53  
   41    44    46    47    55    48    49    50    51    42    43    45  
   44    46    48    42  
   43    45    52    56    66    70    71    75    78    53    54    58    44    55  
   45    52    70    53  
   46    47    55    60    48    49    50    51  
   52    56    57    62    66    67    70    71    75    76    78    79    53    54    58    59    64    85    86    73  
   47    55    60    61    48    49    50    51  
   55    60    48  
   49    50    51    55  
   50    51  
   51  
    0  
   56    57    62    63    66    70    71    75    78    53    54    58    85    55  
   54    58    59    64    65    68    85    86    87    56    66    70    71    75    76    78    79  
   58    59    64    86    70    75    78    79  
   60    61  
   57    62    63    66    67    70    75    64    82    85    73  
   62    63    66    85  
   59    64    65    68    69    72    82    85    86    62    70    75    78    79  
   64    65    68    85    78  
   61  
    0  
   63    66    67    70    71    75    76    78    64    65    68    77    82    83    85    73    74  
   66    67    70    75    64    82    85    73  
   65    68    69    72    77    94    82    83    85    66    70    75    76    78  
   68    69    72    82    85    75  
   67    70    71    75    76    78    82    85    73    74  
   70    71    75    85    73    74  
   69    72    77    80    88    94    95    82    85    75  
   72    77    94    85  
   71    75    76    78    79    82    85    86    73    74  
   75    76    78    85    73  
   77    80    81    84    88    89    94    95    96    82    83    85  
   74    75    85  
    0  
   76    78    79    77    82    83    85    86    87  
   78    79    82    85    86  
   80    81    84    88    94    95    90    82    83    85  
   79    82    85    86    87  
   85    86    87  
   81    84    88    89    94    90    91    92    93    82    83    85  
   84    88    90    82  
   83    85    84    94  
   85  
   88    89    94    95    90    91    92    93  
   86  
   87  
    0  
   89    94    95    96    90    91    92    93  
   94    95    90  
   91    92    93    94  
   92    93  
   93  
    0  
   95    96  
   96  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   95   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    52   317.000  1.510
   38    39   469.000  1.400
   38    55   469.000  1.400
   39    40   469.000  1.400
   39    42   310.000  1.470
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    46   469.000  1.400
   44    48   317.000  1.510
   46    47   367.000  1.080
   46    55   469.000  1.400
   55    60   450.000  1.364
   60    61   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    52   317.000  1.510
   45    70   268.000  1.529
   45    53   268.000  1.529
   52    56   465.000  1.376
   56    57   745.000  1.250
   56    62   270.000  1.512
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    85   268.000  1.529
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    73   320.000  1.410
   70    71   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    78   268.000  1.529
   75    85   268.000  1.529
   78    79   340.000  1.090
   78    53   268.000  1.529
   78    86   320.000  1.410
   53    54   340.000  1.090
   53    58   317.000  1.522
   58    59   570.000  1.229
   58    64   317.000  1.522
   64    65   340.000  1.090
   64    68   317.000  1.522
   64    85   268.000  1.529
   68    69   570.000  1.229
   68    72   310.000  1.470
   72    77   469.000  1.400
   72    94   469.000  1.400
   77    80   469.000  1.400
   77    82   310.000  1.470
   80    81   367.000  1.080
   80    84   469.000  1.400
   84    88   469.000  1.400
   84    90   317.000  1.510
   88    89   367.000  1.080
   88    94   469.000  1.400
   94    95   450.000  1.364
   95    96   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   82    83   570.000  1.229
   82    85   317.000  1.522
   86    87   553.000  0.945
   73    74   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    52    75.00000  112.20000
   33    38    39    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    52    45    65.00000  117.92700
   33    52    56    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    39    40    63.00000  120.00000
   38    39    42    60.00000  119.52600
   38    55    46    63.00000  120.00000
   38    55    60    70.00000  120.00000
   39    40    41    35.00000  120.00000
   39    40    44    63.00000  120.00000
   39    42    43    75.00000  123.78400
   39    42    45    65.00000  115.47100
   40    44    46    63.00000  120.00000
   40    44    48    70.00000  120.00000
   44    40    41    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    55    63.00000  120.00000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   46    55    60    70.00000  120.00000
   55    38    39    63.00000  120.00000
   55    46    47    35.00000  120.00000
   55    60    61    35.00000  113.00000
   48    44    46    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   42    39    40    60.00000  119.52600
   42    45    52    70.00000  109.06800
   42    45    70    63.00000  111.10000
   42    45    53    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    52    56    70.00000  124.00000
   45    70    66    58.35000  112.70000
   45    70    71    37.50000  110.70000
   45    70    75    58.35000  112.70000
   45    53    78    58.35000  112.70000
   45    53    54    37.50000  110.70000
   45    53    58    63.00000  111.10000
   52    33    34    85.00000  110.90400
   52    33    38    70.00000  112.99600
   52    56    57    65.00000  137.10300
   52    56    62    65.00000  122.18000
   56    62    63    45.00000  110.52000
   56    62    66    70.00000  112.02700
   56    62    85    70.00000  112.02700
   62    56    57    85.00000  112.85300
   62    66    67    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    66    73    50.00000  109.50000
   62    85    75    58.35000  112.70000
   62    85    64    58.35000  112.70000
   62    85    82    63.00000  111.10000
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    75    58.35000  112.70000
   66    73    74    55.00000  108.50000
   70    45    52    70.00000  112.02700
   70    66    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    78    58.35000  112.70000
   70    75    85    58.35000  112.70000
   75    70    71    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    53    58.35000  112.70000
   75    78    86    50.00000  109.50000
   75    85    64    58.35000  112.70000
   75    85    82    63.00000  111.10000
   78    75    76    37.50000  110.70000
   78    53    54    37.50000  110.70000
   78    53    58    63.00000  111.10000
   78    86    87    55.00000  108.50000
   53    45    52    70.00000  112.02700
   53    45    70    58.35000  112.70000
   53    78    79    37.50000  110.70000
   53    58    59    80.00000  120.40000
   53    58    64    70.00000  116.00000
   58    53    54    35.00000  109.50000
   58    64    65    35.00000  109.50000
   58    64    68    75.00000  107.99600
   58    64    85    63.00000  111.10000
   64    58    59    80.00000  120.40000
   64    68    69    80.00000  120.40000
   64    68    72    65.00000  115.47100
   64    85    82    63.00000  111.10000
   68    64    65    35.00000  109.50000
   68    72    77    60.00000  119.52600
   68    72    94    60.00000  119.52600
   72    68    69    75.00000  123.78400
   72    77    80    63.00000  120.00000
   72    77    82    60.00000  119.52600
   72    94    88    63.00000  120.00000
   72    94    95    70.00000  120.00000
   77    80    81    35.00000  120.00000
   77    80    84    63.00000  120.00000
   77    82    83    75.00000  123.78400
   77    82    85    65.00000  115.47100
   80    84    88    63.00000  120.00000
   80    84    90    70.00000  120.00000
   84    80    81    35.00000  120.00000
   84    88    89    35.00000  120.00000
   84    88    94    63.00000  120.00000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   88    94    95    70.00000  120.00000
   94    72    77    63.00000  120.00000
   94    88    89    35.00000  120.00000
   94    95    96    35.00000  113.00000
   90    84    88    70.00000  120.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   82    77    80    60.00000  119.52600
   85    62    63    37.50000  110.70000
   85    62    66    58.35000  112.70000
   85    75    76    37.50000  110.70000
   85    75    78    58.35000  112.70000
   85    64    65    37.50000  110.70000
   85    64    68    63.00000  111.10000
   85    82    83    80.00000  120.40000
   86    78    79    35.00000  109.50000
   86    78    53    50.00000  109.50000
   73    66    67    35.00000  109.50000
   73    66    70    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    52    45   0.30250  1.0 1.0
   29    33    52    45  -0.14950 -1.0 2.0
   29    33    52    45   0.36900  1.0 3.0
   29    33    52    56   0.42700  1.0 1.0
   29    33    52    56  -0.70350 -1.0 2.0
   29    33    52    56  -0.43150  1.0 3.0
   33    38    39    40   3.62500 -1.0 2.0
   33    38    39    42   3.62500 -1.0 2.0
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   85    62    66    67   0.15000  1.0 3.0
   85    62   -66    70   0.56750  1.0 1.0
   85    62   -66    70  -0.07550 -1.0 2.0
   85    62   -66    70   0.20000  1.0 3.0
   85    62    66    73   0.86500  1.0 1.0
   85    62    66    73  -0.17500 -1.0 2.0
   85    62    66    73   0.20800  1.0 3.0
   85    75    78    79   0.15000  1.0 3.0
   85    75   -78    53   0.56750  1.0 1.0
   85    75   -78    53  -0.07550 -1.0 2.0
   85    75   -78    53   0.20000  1.0 3.0
   85    75    78    86   0.86500  1.0 1.0
   85    75    78    86  -0.17500 -1.0 2.0
   85    75    78    86   0.20800  1.0 3.0
   85    64    68    69   0.30150 -1.0 2.0
   85    64   -68    72   0.05850 -1.0 2.0
   85    64   -68    72   0.17250  1.0 3.0
   86    78    53    45   0.86500  1.0 1.0
   86    78    53    45  -0.17500 -1.0 2.0
   86    78    53    45   0.20800  1.0 3.0
   86    78    53    54   0.23400  1.0 3.0
   86    78    53    58  -0.09450  1.0 1.0
   86    78    53    58  -1.12950 -1.0 2.0
   86    78    53    58   0.54000  1.0 3.0
   73    66    70    45   0.86500  1.0 1.0
   73    66    70    45  -0.17500 -1.0 2.0
   73    66    70    45   0.20800  1.0 3.0
   73    66    70    71   0.23400  1.0 3.0
   73    66    70    75   0.86500  1.0 1.0
   73    66    70    75  -0.17500 -1.0 2.0
   73    66    70    75   0.20800  1.0 3.0
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
   39    55    38    33   4.00000 -1.0 2.0
   40    42    39    38   4.00000 -1.0 2.0
   44    41    40    39   1.10000 -1.0 2.0
   46    48    44    40   4.00000 -1.0 2.0
   55    47    46    44   1.10000 -1.0 2.0
   46    60    55    38   4.00000 -1.0 2.0
   39    45    42    43  10.50000 -1.0 2.0
   33    45    52    56   1.10000 -1.0 2.0
   62    57    56    52   1.10000 -1.0 2.0
   53    64    58    59  10.50000 -1.0 2.0
   64    72    68    69  10.50000 -1.0 2.0
   77    94    72    68   4.00000 -1.0 2.0
   80    82    77    72   4.00000 -1.0 2.0
   84    81    80    77   1.10000 -1.0 2.0
   88    90    84    80   4.00000 -1.0 2.0
   94    89    88    84   1.10000 -1.0 2.0
   88    95    94    72   4.00000 -1.0 2.0
   77    85    82    83  10.50000 -1.0 2.0
END
