* LIGAND DATABASE FILE (OPLS2005)
*
001      96   101    200    335     605
    1     0 S   NP   _N1_     1    29.10365    99.44008   -21.74997
    2     1 S   H    _HN1     2     1.02828    62.89577   168.56425
    3     1 S   H    _H1_     3     1.02790    92.93953   -82.81400
    4     1 S   H    _H2_     4     1.02950    54.26786    27.79104
    5     1 S   CT   _CA1     5     1.50127   154.47632    87.11845
    6     5 S   HC   _HA1     6     1.09573   105.17720   129.53052
    7     5 S   CO3  _C1_     7     1.53789   112.47942     9.30916
    8     7 S   O2Z  _O11     8     1.26376   115.00613   -41.92444
    9     7 S   O2Z  _O12     9     1.26240   114.95231   137.15556
   10     5 S   CT   _CB1    10     1.53071   107.41180  -112.47251
   11    10 S   HC   HB11    11     1.09836   109.37239   -49.33954
   12    10 S   HC   HB12    12     1.09812   110.44968    67.27111
   13    10 S   CT   _CG1    13     1.52997   112.61826  -170.29295
   14    13 S   HC   HG11    14     1.09577   110.66842   -66.16761
   15    13 S   HC   HG12    15     1.09670   109.75387    53.07186
   16    13 S   C    _CD1    16     1.51804   112.15157   173.54885
   17    16 S   O    _OE1    17     1.22740   123.24450     8.86337
   18    16 S   N    _N2_    18     1.38638   111.70942  -171.20272
   19    18 S   H    _HN2    19     1.01576   118.98271     1.60693
   20    18 S   CT1  _CA2    20     1.46246   123.44628   177.57037
   21    20 S   HC   _HA2    21     1.09734   109.33592     5.75122
   22    20 S   C    _C2_    22     1.53614   108.73756  -109.82616
   23    22 S   O    _O2_    23     1.23070   122.28852  -148.17654
   24    20 S   CT   _CB2    32     1.53286   111.46005   127.75502
   25    24 S   HC   HB21    33     1.09486   109.90821    56.85394
   26    24 S   HC   HB22    34     1.09525   110.25951   175.82261
   27    22 S   N    _N3_    24     1.38337   113.79427    39.28653
   28    27 S   H    _HN3    25     1.01559   119.58693    -3.14068
   29    24 S   S    _SG2    35     1.82762   111.44457   -64.57192
   30    27 S   CT   _CA3    26     1.45278   123.23475   177.22724
   31    30 S   HC   HA31    27     1.09550   107.51073   -64.85868
   32    30 S   HC   HA32    28     1.09559   107.99105    51.58763
   33    29 S   CT   _C16    36     1.87034    99.81777   174.97703
   34    33 S   HC   _H6_    37     1.09394   102.42017    16.84390
   35    30 S   CO3  _C3_    29     1.52964   114.07329   173.60555
   36    35 S   O2Z  _O31    30     1.26377   116.08508     0.00000
   37    35 S   O2Z  _O32    31     1.26428   114.41248  -179.93147
   38    33 S   CT   _C15    38     1.53779   107.49474   -97.69539
   39    38 S   HC   _H5_    39     1.09838   110.45110   -46.57802
   40    33 S   CT   _C17    75     1.57580   116.88543   135.32248
   41    40 S   OM   _O34    76     1.32971   106.40778   -63.37610
   42    38 S   CT   _C14    40     1.52196   114.92021  -169.68666
   43    42 S   HC   _H4_    41     1.09949   107.67759   103.47430
   44    42 S   CT   _C13    42     1.53542   105.12741  -138.43263
   45    44 S   CO4  _C23    43     1.51207   103.41464    13.48964
   46    45 S   O    _O36    44     1.22299   125.21647   174.11743
   47    44 S   CO   _C12    46     1.55027   109.38324   130.24520
   48    44 S   CT   _C24    93     1.53204   111.58092  -102.40784
   49    48 S   HC   _H29    94     1.09458   111.61206   -61.68221
   50    48 S   HC   _H30    95     1.09549   111.54143   177.41358
   51    48 S   HC   _H31    96     1.09659   111.08173    58.33591
   52    38 S   OS   _O35    45     1.43490   109.81052    70.58277
   53    47 S   CT   _C11    47     1.53284   111.22766    56.24648
   54    53 S   HC   _H18    48     1.09813   109.69914  -176.21333
   55    53 S   HC   _H19    49     1.09608   111.65253    67.03036
   56    47 S   OH   _O38    91     1.42318   112.13165   176.53208
   57    56 S   HO   _H34    92     0.97261   107.64639    43.85671
   58    53 S   CT   _C10    50     1.53120   109.73259   -56.36201
   59    58 S   HC   _H16    51     1.09556   107.86454   118.36413
   60    58 S   HC   _H17    52     1.09706   109.23115  -125.79648
   61    42 S   CT   _C9_    53     1.54729   115.85236   -16.02490
   62    61 S   CT   _C25    54     1.55517   110.30862   -70.42662
   63    62 S   HC   _H32    55     1.08880   114.06834    69.58233
   64    62 S   HC   _H33    56     1.09710   110.31886  -171.56469
   65    61 S   CT   _C8_    58     1.57604   111.08354    53.83032
   66    65 S   HC   _H3_    59     1.10370   104.57496  -152.91971
   67    47 S   OS   _O37    57     1.43585   109.38989   -61.10779
   68    65 S   CT   _C7_    60     1.55534   112.04372    95.29926
   69    68 S   HC   _H14    61     1.09697   109.11822    73.15809
   70    68 S   HC   _H15    62     1.09371   110.40572   -43.80491
   71    68 S   CT   _C6_    63     1.52590   113.05458  -166.38352
   72    71 S   HC   _H12    64     1.09704   109.64574  -169.87739
   73    71 S   HC   _H13    65     1.09233   107.24638   -55.52470
   74    71 S   CT   _C5_    66     1.53862   110.29081    68.44218
   75    74 S   CT   _C20    67     1.55321   118.88312  -156.39038
   76    75 S   HC   _H8_    68     1.09570   114.21399   -84.14365
   77    74 S   CT   _C4_    87     1.56134   107.02608    82.37458
   78    77 S   HC   _H9_    88     1.09410   112.79664  -174.41542
   79    77 S   HC   _H10    89     1.09622   110.54513    65.23794
   80    77 S   HC   _H11    90     1.09449   111.99327   -54.60421
   81    75 S   CT   _C19    69     1.52631   100.60018   157.30936
   82    81 S   HC   _H20    70     1.09575   110.78347    80.68637
   83    81 S   HC   _H21    71     1.09112   116.40438  -159.16362
   84    75 S   NP   _N4_    77     1.53159   112.64113    37.36311
   85    84 S   H    _H22    78     1.03338   106.37499    25.67717
   86    81 S   OS   _O33    72     1.42726   106.73457   -35.93701
   87    84 S   CT   _C21    79     1.50914   117.00196   141.64280
   88    87 S   HC   _H23    80     1.09306   108.67748    55.25544
   89    87 S   HC   _H24    81     1.09408   108.16272   175.38115
   90    87 S   HC   _H25    82     1.09247   108.63903   -67.06999
   91    84 S   CT   _C22    83     1.51269   111.59293   -92.30208
   92    91 S   HC   _H26    84     1.09389   108.29035   -74.57738
   93    91 S   HC   _H27    85     1.09064   109.65496    45.32115
   94    91 S   HC   _H28    86     1.09319   107.90597   165.19502
   95    74 S   CT   _C18    73     1.55713   111.65293   -36.63324
   96    95 S   HC   _H7_    74     1.09764   108.33637    98.24352
  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  10   5   4   3
  18   8   2   1   1  16   7  19   8  23   9  18  11   3  18   8
   2   1   1   1  11   7   6   4   1  10   4   3  11   6   3   2
  12   5   1   9   5   4  14   5   4  16  21  10   8   3   2   1
   9   4   3  11   8   2   7   3   2   1   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    52    65    95    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    45    52    61    65    66    68    74    86    95    96    40    41  
   38    39    42    52    65    95    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46    52    47    58    61    62    65    95    40    41    48  
   42    43    44    45    52    61    40  
   41    77    42    52    58    61    62    65    66    68    69    70    71    74    75    81    86    95    96  
   61    65    66    68    74    86    95    96  
   43    44    45    46    52    47    53    58    59    60    61    62    63    64    67    65    66    68    56    48    49    50    51  
   44    45    52    47    58    61    62    65    48  
   45    46    52    47    53    54    55    58    61    62    67    65    56    57    48    49    50    51  
   46    52    47    53    61    67    56    48    49    50    51  
   52    47    48  
   53    54    55    58    59    60    61    62    63    64    67    56    57    48    49    50    51    52  
   49    50    51    52    53    56    61    67  
   50    51  
   51  
    0  
   61  
   54    55    58    59    60    61    62    67    65    56    57  
   55    58    59    60    61    67    56  
   58    59    60    61    67    56  
   57    58    62    67  
   67  
   59    60    61    62    63    64    67    65    66    68  
   60    61    62    65  
   61    62    65  
   62    63    64    67    65    66    68    69    70    71    95  
   63    64    67    65    66    68  
   64    67    65  
   67    65  
   66    68    69    70    71    72    73    74    86    95    96    67  
   68    69    70    71    95  
    0  
   69    70    71    72    73    74    75    95    77  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    81    86    95    96    84    77    78    79    80  
   73    74    75    95    77  
   74    75    95    77  
   75    76    81    82    83    86    95    96    84    85    87    91    77    78    79    80  
   76    81    82    83    86    95    96    84    85    87    88    89    90    91    92    93    94    77    78    79    80  
   81    82    83    86    95    84    85    87    91    77  
   78    79    80    81    84    86    95    96  
   79    80    95  
   80    95  
   95  
   82    83    86    95    96    84    85    87    91  
   83    86    95    84  
   86    95    84  
   85    87    88    89    90    91    92    93    94    86    95  
   87    88    89    90    91    92    93    94  
   95    96  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   84   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   85   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   86   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   95   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    52   320.000  1.410
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    61   268.000  1.529
   44    45   317.000  1.522
   44    47   250.000  1.527
   44    48   268.000  1.529
   45    46   570.000  1.229
   45    52   214.000  1.327
   47    53   250.000  1.527
   47    67   320.000  1.380
   47    56   380.000  1.407
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    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   268.000  1.529
   61    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.410
   65    66   340.000  1.090
   65    68   268.000  1.529
   65    40   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    95   268.000  1.529
   74    77   268.000  1.529
   75    76   340.000  1.090
   75    81   268.000  1.529
   75    84   367.000  1.471
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   320.000  1.410
   86    95   320.000  1.410
   95    96   340.000  1.090
   95    40   268.000  1.529
   40    41   570.000  1.307
   84    85   434.000  1.010
   84    87   367.000  1.471
   84    91   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   56    57   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    52    50.00000  109.50000
   33    40    65    58.35000  112.70000
   33    40    95    58.35000  112.70000
   33    40    41    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    58.35000  112.70000
   38    42    61    58.35000  112.70000
   38    52    45    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    44    45    63.00000  111.10000
   42    44    47    75.00000  109.43000
   42    44    48    58.35000  112.70000
   42    61    58    58.35000  112.70000
   42    61    62    58.35000  112.70000
   42    61    65    58.35000  112.70000
   44    42    43    37.50000  110.70000
   44    45    46    80.00000  120.40000
   44    45    52    81.00000  111.40000
   44    47    53    65.00000  112.71400
   44    47    67    90.00000  108.56700
   44    47    56    90.00000  110.19100
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   52    38    39    35.00000  109.50000
   52    38    42    50.00000  109.50000
   52    45    46    83.00000  123.40000
   47    44    45    63.00000  111.10000
   47    53    54    45.00000  108.72000
   47    53    55    45.00000  108.72000
   47    53    58    75.00000  109.43000
   47    67    62    60.00000  109.50000
   47    56    57    70.00000  107.92000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    65    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    42    43    37.50000  110.70000
   61    42    44    58.35000  112.70000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    67    50.00000  109.50000
   61    65    66    37.50000  110.70000
   61    65    68    58.35000  112.70000
   61    65    40    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    47    53    90.00000  108.56700
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   65    61    62    58.35000  112.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   65    40    95    58.35000  112.70000
   65    40    41    50.00000  109.50000
   68    65    66    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    95    58.35000  112.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    81    58.35000  112.70000
   74    75    84    80.00000  111.20000
   74    95    86    50.00000  109.50000
   74    95    96    37.50000  110.70000
   74    95    40    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    86    50.00000  109.50000
   75    84    85    35.00000  109.50000
   75    84    87    75.00000  113.01200
   75    84    91    75.00000  113.01200
   81    75    76    37.50000  110.70000
   81    86    95    60.00000  109.50000
   83    81    82    33.00000  107.80000
   86    81    82    35.00000  109.50000
   86    81    83    35.00000  109.50000
   86    95    96    35.00000  109.50000
   86    95    40    50.00000  109.50000
   95    74    75    58.35000  112.70000
   95    40    41    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    68    58.35000  112.70000
   40    95    96    37.50000  110.70000
   84    75    76    35.00000  109.50000
   84    75    81    80.00000  111.20000
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   84    91    92    35.00000  109.50000
   84    91    93    35.00000  109.50000
   84    91    94    35.00000  109.50000
   87    84    85    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    84    85    35.00000  109.50000
   91    84    87    75.00000  113.01200
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   77    74    75    58.35000  112.70000
   77    74    95    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   56    47    53    90.00000  110.19100
   56    47    67   110.00000  112.08000
   48    44    45    63.00000  111.10000
   48    44    47    75.00000  109.43000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    52   0.56750  1.0 1.0
   29    33    38    52  -0.07550 -1.0 2.0
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   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    52   0.62750  1.0 1.0
   40    33    38    52  -0.30950 -1.0 2.0
   40    33    38    52   0.27300  1.0 3.0
   40    65    68    69   0.15000  1.0 3.0
   40    65    68    70   0.15000  1.0 3.0
   40    65   -68    71   0.56750  1.0 1.0
   40    65   -68    71  -0.07550 -1.0 2.0
   40    65   -68    71   0.20000  1.0 3.0
   84    75    81    82   0.19200  1.0 3.0
   84    75    81    83   0.19200  1.0 3.0
   84    75    81    86   1.69300  1.0 1.0
   84    75    81    86  -0.48450 -1.0 2.0
   85    84    87    88   0.13050  1.0 3.0
   85    84    87    89   0.13050  1.0 3.0
   85    84    87    90   0.13050  1.0 3.0
   85    84    91    92   0.13050  1.0 3.0
   85    84    91    93   0.13050  1.0 3.0
   85    84    91    94   0.13050  1.0 3.0
   87    84    91    92   0.15000  1.0 3.0
   87    84    91    93   0.15000  1.0 3.0
   87    84    91    94   0.15000  1.0 3.0
   91    84    87    88   0.15000  1.0 3.0
   91    84    87    89   0.15000  1.0 3.0
   91    84    87    90   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    81   0.56750  1.0 1.0
   77    74    75    81  -0.07550 -1.0 2.0
   77    74    75    81   0.20000  1.0 3.0
   77    74    75    84   1.36600  1.0 1.0
   77    74    75    84  -0.11450 -1.0 2.0
   77    74    75    84   0.24250  1.0 3.0
   77    74    95    86   0.62750  1.0 1.0
   77    74    95    86  -0.30950 -1.0 2.0
   77    74    95    86   0.27300  1.0 3.0
   77    74    95    96   0.15000  1.0 3.0
   77    74    95    40   0.56750  1.0 1.0
   77    74    95    40  -0.07550 -1.0 2.0
   77    74    95    40   0.20000  1.0 3.0
   56    47    53    54   0.23400  1.0 3.0
   56    47    53    55   0.23400  1.0 3.0
   56    47    53    58   0.86500  1.0 1.0
   56    47    53    58  -0.17500 -1.0 2.0
   56    47    53    58   0.20800  1.0 3.0
   56    47    67    62  -0.81800  1.0 1.0
   48    44    45    46   0.30150 -1.0 2.0
   48    44    45    52   0.36750  1.0 3.0
   48    44    47    53   0.56750  1.0 1.0
   48    44    47    53  -0.07550 -1.0 2.0
   48    44    47    53   0.20000  1.0 3.0
   48    44    47    67   0.62750  1.0 1.0
   48    44    47    67  -0.30950 -1.0 2.0
   48    44    47    67   0.27300  1.0 3.0
   48    44    47    56   0.86500  1.0 1.0
   48    44    47    56  -0.17500 -1.0 2.0
   48    44    47    56   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
   44    52    45    46  10.50000 -1.0 2.0
END
