* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    194    322     592
    1     0 S   NP   _N1_     1    30.84440   101.20989   -15.79103
    2     1 S   H    _HN1     2     1.03535    99.71704    65.55142
    3     1 S   H    _H1_     3     1.02863    74.43622   169.54899
    4     1 S   H    _H2_     4     1.02725    38.32183   -40.74116
    5     1 S   CT   _CA1     5     1.50308   144.39470   -86.58718
    6     5 S   HC   _HA1     6     1.09723   104.76593   -34.56973
    7     5 S   CO3  _C1_     7     1.54199   110.87685  -150.91459
    8     7 S   O2Z  _O11     8     1.26069   116.27493   -97.15871
    9     7 S   O2Z  _O12     9     1.26495   114.10253    81.63000
   10     5 S   CT   _CB1    10     1.53244   107.27165    80.50540
   11    10 S   HC   HB11    11     1.09834   108.99453   -56.18076
   12    10 S   HC   HB12    12     1.09408   110.35359    59.65090
   13    10 S   CT   _CG1    13     1.53088   112.99514  -177.34391
   14    13 S   HC   HG11    14     1.09512   110.59240   -63.64418
   15    13 S   HC   HG12    15     1.09672   109.86530    55.19118
   16    13 S   C    _CD1    16     1.52070   112.96726   175.22308
   17    16 S   O    _OE1    17     1.22698   123.34228   -11.65562
   18    16 S   N    _N2_    18     1.38741   111.50131   170.02699
   19    18 S   H    _HN2    19     1.01593   118.65487    -1.46807
   20    18 S   CT1  _CA2    20     1.46431   124.02424   174.94553
   21    20 S   HC   _HA2    21     1.09742   109.33984    -9.39831
   22    20 S   C    _C2_    22     1.53561   107.90661  -124.44103
   23    22 S   O    _O2_    23     1.23024   122.48852  -148.06554
   24    20 S   CT   _CB2    32     1.53596   111.56213   113.39489
   25    24 S   HC   HB21    33     1.09346   109.43464    49.40107
   26    24 S   HC   HB22    34     1.09464   110.58646   168.24796
   27    22 S   N    _N3_    24     1.38397   113.47362    39.43168
   28    27 S   H    _HN3    25     1.01638   119.46368    -3.54365
   29    24 S   S    _SG2    35     1.82895   110.75593   -73.40746
   30    27 S   CT   _CA3    26     1.45288   123.17087   177.06889
   31    30 S   HC   HA31    27     1.09552   107.46934   -65.21874
   32    30 S   HC   HA32    28     1.09558   108.02131    51.21158
   33    29 S   CT   _C20    36     1.92344   103.13061   154.51070
   34    30 S   CO3  _C3_    29     1.52944   114.10608   173.19620
   35    34 S   O2Z  _O31    30     1.26372   116.04300    -2.05947
   36    34 S   O2Z  _O32    31     1.26432   114.42085   178.03278
   37    33 S   CM   _C19    37     1.52294   103.36535   -68.29101
   38    37 S   HC   _H23    38     1.08730   118.02354    81.29706
   39    33 S   CT   _C25    70     1.53557   108.17904    52.86496
   40    39 S   HC   _H28    71     1.09546   112.07047   -58.19171
   41    39 S   HC   _H29    72     1.09552   111.82339  -176.30721
   42    37 S   CM   _C18    39     1.34496   124.08448   -97.45680
   43    42 S   HC   _H22    40     1.08634   118.26522  -178.82797
   44    42 S   CT   _C17    41     1.50649   123.15086    -5.15754
   45    44 S   HC   _H8_    42     1.10077   102.59135   -97.50157
   46    44 S   CT   _C12    43     1.54410   119.96670   150.13702
   47    46 S   HC   _H5_    44     1.10564   103.94841   133.45340
   48    44 S   CT   _C16    59     1.55795   112.23077    17.37415
   49    48 S   HC   _H7_    60     1.08782   109.62335    66.54263
   50    46 S   CT   _C11    45     1.51715   119.80759    17.37845
   51    50 S   HC   _H18    46     1.09476   112.10066    71.07540
   52    50 S   HC   _H19    47     1.09466   112.02943   -50.12904
   53    33 S   CT   _C21    61     1.60438   111.52287   172.46769
   54    50 S   CT   _C10    48     1.53203   103.68803  -168.44856
   55    54 S   HC   _H16    49     1.09573   109.03611   131.02134
   56    54 S   HC   _H17    50     1.09602   110.45521  -111.04509
   57    53 S   CT   _C22    62     1.55214   108.89462   -56.97048
   58    57 S   HC   _H24    63     1.09720   110.29435  -175.13031
   59    57 S   HC   _H25    64     1.09618   110.44143    68.90577
   60    53 S   CT   _C26    73     1.55958   112.45193  -175.18997
   61    60 S   HC   _H30    74     1.09350   112.90038   -48.22037
   62    60 S   HC   _H31    75     1.09569   110.71416  -169.28467
   63    60 S   HC   _H32    76     1.09337   112.87625    71.52392
   64    54 S   CT   _C9_    51     1.56124   107.76251     9.25438
   65    64 S   HC   _H4_    52     1.10040   106.79685   -94.67315
   66    57 S   CT   _C23    65     1.53286   113.61376   -53.92823
   67    66 S   HC   _H26    66     1.09516   110.58734   -79.51360
   68    66 S   HC   _H27    67     1.09611   108.81567   163.23596
   69    46 S   CT   _C13    53     1.55161   116.30567  -111.07880
   70    66 S   CO4  _C24    68     1.51714   114.38781    41.88655
   71    70 S   O    _O35    69     1.23226   120.74108   147.18405
   72    64 S   CT   _C5_    83     1.56253   111.97546   148.04362
   73    72 S   HC   _H3_    84     1.09469   108.30998   -66.26410
   74    69 S   CT   _C14    54     1.57254   107.13690   -58.58751
   75    74 S   HC   _H6_    55     1.09623   109.86668   -92.06225
   76    69 S   CT   _C27    79     1.55111   112.71032    67.11371
   77    76 S   HC   _H34    80     1.09470   111.68454  -177.32073
   78    76 S   HC   _H35    81     1.09317   111.32121    63.71783
   79    76 S   HC   _H36    82     1.08837   114.28062   -55.59794
   80    72 S   CT   _C4_    85     1.53177   111.70158   175.38421
   81    80 S   HC   _H9_    86     1.09478   111.31774   -53.66252
   82    80 S   HC   _H10    87     1.09308   112.10475  -174.65159
   83    80 S   HC   _H11    88     1.08904   111.20787    67.65046
   84    72 S   CT   _C6_    89     1.55408   111.61666    51.87569
   85    84 S   HC   _H12    90     1.09465   110.52521   -48.64868
   86    84 S   HC   _H13    91     1.09752   109.14624    67.63238
   87    74 S   CT   _C15    56     1.56273   114.66854    29.66478
   88    87 S   HC   _H20    57     1.09662   109.44643   -90.22557
   89    87 S   HC   _H21    58     1.09432   109.60716   152.45483
   90    74 S   OH   _O36    77     1.42847   110.36671   150.54982
   91    90 S   HO   _H33    78     0.97221   107.72843   172.20751
   92    84 S   CT   _C7_    92     1.53168   114.92827  -169.89152
   93    92 S   HC   _H14    93     1.09788   108.11460   179.13362
   94    92 S   HC   _H15    94     1.09522   110.34758   -65.60804
   95    92 S   CO3  _C8_    95     1.53320   116.49800    59.69714
   96    95 S   O2Z  _O34    96     1.26431   114.51197  -153.39373
   97    95 S   O2Z  _O33    97     1.26269   116.50968    27.13335
  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  12   5   4   3
  22   2   1   1  14   5  12   5   4  11   4  19   8  22   9  18
   7  11   6   5  15  11   5   4  12   6   5   5   2   1   1  20
   7   4   3   2  15   1   1  14   8  10   6   5   2   1   1   7
   3   2   1   8   5   4   4   2   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    53    57    70    39    40    41    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    87    48    49    53    57    58    59    66    70    71    39    40    41    60    61    62    63  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    53    57    70    39    40    41    60  
   42    43    44    53    39  
   40    41    60    42    48    53    57    66    67    68    70    71  
   41    53    66    70    71  
   53    66    70    71  
   43    44    45    46    47    50    69    87    48    49    53  
   44    45    46    48  
   45    46    47    50    51    52    54    64    69    74    87    88    89    48    49    53    57    60    76  
   46    47    50    69    87    48    49    53  
   47    50    51    52    54    55    56    64    65    69    74    75    87    48    49    53    90    76    77    78    79    72  
   50    51    52    54    64    69    74    48    76  
   49    53    57    58    59    66    60    61    62    63    90    50    69    74    75    87    88    89  
   53    57    60    74    87    88    89  
   51    52    54    55    56    64    65    69    74    76    72  
   52    54    55    56    64    69  
   54    55    56    64    69  
   57    58    59    66    67    68    70    60    61    62    63    74    87    88    89  
   55    56    64    65    69    74    76    72    73    80    84  
   56    64    65    69    72  
   64    65    69    72  
   58    59    66    67    68    70    71    60    61    62    63    87  
   59    66    67    68    70    60  
   66    67    68    70    60  
   61    62    63    66    87  
   62    63  
   63  
    0  
   65    69    74    75    87    90    76    77    78    79    72    73    80    81    82    83    84    85    86    92  
   69    74    76    72    73    80    84  
   67    68    70    71  
   68    70    71  
   70    71  
   74    75    87    88    89    90    91    76    77    78    79    72    73    80    84  
   71  
    0  
   73    80    81    82    83    84    85    86    92    93    94    95    74    76  
   80    81    82    83    84    85    86    92  
   75    87    88    89    90    91    76    77    78    79  
   87    88    89    90    91    76  
   77    78    79    87    90  
   78    79  
   79  
    0  
   81    82    83    84    85    86    92  
   82    83    84  
   83    84  
   84  
   85    86    92    93    94    95    96    97  
   86    92    93    94    95  
   92    93    94    95  
   88    89    90    91  
   89    90  
   90  
   91  
    0  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    69   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   268.000  1.529
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    72   268.000  1.529
   69    74   268.000  1.529
   69    76   268.000  1.529
   74    75   340.000  1.090
   74    87   268.000  1.529
   74    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    48   268.000  1.529
   48    49   340.000  1.090
   48    53   268.000  1.529
   53    57   268.000  1.529
   53    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.522
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   90    91   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   72    73   340.000  1.090
   72    80   268.000  1.529
   72    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.522
   95    96   656.000  1.250
   95    97   656.000  1.250
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    53    48    58.35000  112.70000
   33    53    57    58.35000  112.70000
   33    53    60    58.35000  112.70000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    35.00000  120.00000
   37    42    44    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    48    70.00000  112.02700
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    46    69    58.35000  112.70000
   44    48    87    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    53    58.35000  112.70000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   46    69    64    58.35000  112.70000
   46    69    74    58.35000  112.70000
   46    69    76    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    64    58.35000  112.70000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    69    58.35000  112.70000
   54    64    72    58.35000  112.70000
   56    54    55    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    56    37.50000  110.70000
   64    69    74    58.35000  112.70000
   64    69    76    58.35000  112.70000
   64    72    73    37.50000  110.70000
   64    72    80    58.35000  112.70000
   64    72    84    58.35000  112.70000
   69    46    47    37.50000  110.70000
   69    46    50    58.35000  112.70000
   69    64    65    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    87    58.35000  112.70000
   69    74    90    50.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   74    87    88    37.50000  110.70000
   74    87    89    37.50000  110.70000
   74    87    48    58.35000  112.70000
   74    90    91    55.00000  108.50000
   87    74    75    37.50000  110.70000
   87    48    49    37.50000  110.70000
   87    48    53    58.35000  112.70000
   89    87    88    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    87    88    37.50000  110.70000
   48    87    89    37.50000  110.70000
   48    53    57    58.35000  112.70000
   48    53    60    58.35000  112.70000
   53    33    37    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    66    58.35000  112.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    70    63.00000  111.10000
   59    57    58    33.00000  107.80000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    39    70.00000  116.00000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    39    40    35.00000  109.50000
   70    39    41    35.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    70    71    80.00000  120.40000
   41    39    40    33.00000  107.80000
   60    53    57    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   90    74    75    35.00000  109.50000
   90    74    87    50.00000  109.50000
   76    69    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    69    58.35000  112.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   72    84    85    37.50000  110.70000
   72    84    86    37.50000  110.70000
   72    84    92    58.35000  112.70000
   80    72    73    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    72    73    37.50000  110.70000
   84    72    80    58.35000  112.70000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    70.00000  109.69300
   86    84    85    33.00000  107.80000
   92    84    85    37.50000  110.70000
   92    84    86    37.50000  110.70000
   92    95    96    70.00000  117.00000
   92    95    97    70.00000  117.00000
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   97    95    96    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
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   29    33    53    57  -0.17800 -1.0 2.0
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   29    33    53    60  -0.17800 -1.0 2.0
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   69    74    87    48  -0.07550 -1.0 2.0
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   69    74    90    91  -0.11600  1.0 1.0
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   48    53    57    66  -0.07550 -1.0 2.0
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   49    48    53    33   0.15000  1.0 3.0
   49    48    53    57   0.15000  1.0 3.0
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   53    57    66    67   0.15000  1.0 3.0
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   53    57   -66    70  -0.95700  1.0 1.0
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   53    57   -66    70   0.29450  1.0 3.0
   57    53    60    61   0.15000  1.0 3.0
   57    53    60    62   0.15000  1.0 3.0
   57    53    60    63   0.15000  1.0 3.0
   57    66    70    71   0.30150 -1.0 2.0
   57    66    70    39   0.60050  1.0 1.0
   57    66    70    39   0.05600 -1.0 2.0
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   58    57    66    67   0.15000  1.0 3.0
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   58    57    66    70  -0.11250  1.0 3.0
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   59    57    66    70  -0.11250  1.0 3.0
   66    70   -39    33   0.60050  1.0 1.0
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   66    70    39    40   0.00000  1.0 1.0
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   67    66    70    71   0.00000  1.0 1.0
   67    66    70    39   0.00000  1.0 1.0
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   39    33    37    42  -0.50650  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33   -53    57   0.56750  1.0 1.0
   39    33   -53    57  -0.07550 -1.0 2.0
   39    33   -53    57   0.20000  1.0 3.0
   39    33    53    60   0.56750  1.0 1.0
   39    33    53    60  -0.07550 -1.0 2.0
   39    33    53    60   0.20000  1.0 3.0
   60    53    57    58   0.15000  1.0 3.0
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   60    53    57    66   0.56750  1.0 1.0
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   90    74    87    48   0.86500  1.0 1.0
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   76    69    74    87  -0.07550 -1.0 2.0
   76    69    74    87   0.20000  1.0 3.0
   76    69    74    90   0.86500  1.0 1.0
   76    69    74    90  -0.17500 -1.0 2.0
   76    69    74    90   0.20800  1.0 3.0
   72    64    69    46   0.56750  1.0 1.0
   72    64    69    46  -0.07550 -1.0 2.0
   72    64    69    46   0.20000  1.0 3.0
   72    64    69    74   0.56750  1.0 1.0
   72    64    69    74  -0.07550 -1.0 2.0
   72    64    69    74   0.20000  1.0 3.0
   72    64    69    76   0.56750  1.0 1.0
   72    64    69    76  -0.07550 -1.0 2.0
   72    64    69    76   0.20000  1.0 3.0
   72    84    92    93   0.15000  1.0 3.0
   72    84    92    94   0.15000  1.0 3.0
   72    84    92    95  -1.63150  1.0 1.0
   72    84    92    95  -0.43550 -1.0 2.0
   72    84    92    95   0.24500  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    82   0.15000  1.0 3.0
   73    72    80    83   0.15000  1.0 3.0
   73    72    84    85   0.15000  1.0 3.0
   73    72    84    86   0.15000  1.0 3.0
   73    72    84    92   0.15000  1.0 3.0
   80    72    84    85   0.15000  1.0 3.0
   80    72    84    86   0.15000  1.0 3.0
   80    72    84    92   0.56750  1.0 1.0
   80    72    84    92  -0.07550 -1.0 2.0
   80    72    84    92   0.20000  1.0 3.0
   84    72    80    81   0.15000  1.0 3.0
   84    72    80    82   0.15000  1.0 3.0
   84    72    80    83   0.15000  1.0 3.0
   84    92    95    96   0.41150 -1.0 2.0
   84    92    95    97   0.41150 -1.0 2.0
   85    84    92    93   0.15000  1.0 3.0
   85    84    92    94   0.15000  1.0 3.0
   85    84    92    95  -0.11250  1.0 3.0
   86    84    92    93   0.15000  1.0 3.0
   86    84    92    94   0.15000  1.0 3.0
   86    84    92    95  -0.11250  1.0 3.0
   93    92    95    96   0.00000  1.0 1.0
   93    92    95    97   0.00000  1.0 1.0
   94    92    95    96   0.00000  1.0 1.0
   94    92    95    97   0.00000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
   96    92    95    97  10.50000 -1.0 2.0
END
