* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    201    325     605
    1     0 S   NP   _N1_     1    29.24200    93.42222   -25.73563
    2     1 S   H    _HN1     2     1.02965    87.60791    15.35101
    3     1 S   H    _H1_     3     1.02830    19.78154  -153.63398
    4     1 S   H    _H2_     4     1.02777   119.17140   -94.35689
    5     1 S   CT   _CA1     5     1.50137   115.80822   126.85289
    6     5 S   HC   _HA1     6     1.09578   105.20624    79.97173
    7     5 S   CO3  _C1_     7     1.53764   112.45089   -40.12844
    8     7 S   O2Z  _O11     8     1.26347   114.99652   -42.05413
    9     7 S   O2Z  _O12     9     1.26246   114.91664   137.07931
   10     5 S   CT   _CB1    10     1.53082   107.38400  -162.19877
   11    10 S   HC   HB11    11     1.09822   109.17058   -51.36214
   12    10 S   HC   HB12    12     1.09828   110.45051    65.11648
   13    10 S   CT   _CG1    13     1.53020   112.78319  -172.56325
   14    13 S   HC   HG11    14     1.09596   110.34618   -65.33532
   15    13 S   HC   HG12    15     1.09645   110.08977    53.93825
   16    13 S   C    _CD1    16     1.51777   112.25226   174.08991
   17    16 S   O    _OE1    17     1.22732   123.23707    -5.65652
   18    16 S   N    _N2_    18     1.38598   111.79099   174.80955
   19    18 S   H    _HN2    19     1.01589   119.05697     1.82113
   20    18 S   CT1  _CA2    20     1.46030   123.30720   179.74056
   21    20 S   HC   _HA2    21     1.09537   109.43150    -1.60596
   22    20 S   C    _C2_    22     1.53547   109.03625  -116.73269
   23    22 S   O    _O2_    23     1.23061   122.00184  -147.95020
   24    20 S   CT   _CB2    32     1.53268   111.67819   120.87223
   25    24 S   HC   HB21    33     1.09714   109.16360    62.79328
   26    24 S   HC   HB22    34     1.09316   110.93010   178.83165
   27    22 S   N    _N3_    24     1.38433   113.68336    39.62947
   28    27 S   H    _HN3    25     1.01484   119.01778    -0.65192
   29    24 S   S    _SG2    35     1.83050   115.74802   -56.37645
   30    27 S   CT   _CA3    26     1.45453   123.43215   174.77239
   31    30 S   HC   HA31    27     1.09523   109.24650    24.67915
   32    30 S   HC   HA32    28     1.09495   107.13154   141.71301
   33    29 S   CT   _C20    36     1.86090   102.43412   -61.02082
   34    33 S   HC   _H3_    37     1.09458   106.79237    49.71299
   35    30 S   CO3  _C3_    29     1.52932   113.06470   -98.77923
   36    35 S   O2Z  _O31    30     1.26408   115.39246   -44.21688
   37    35 S   O2Z  _O32    31     1.26352   114.98341   136.67250
   38    33 S   CT   _C12    38     1.54862   110.79668   -67.37783
   39    38 S   HC   _H41    39     1.09196   108.84373   164.57998
   40    38 S   HC   _H42    40     1.08836   106.84180    54.66757
   41    33 S   CT   _C16    93     1.55496   108.57899   165.34793
   42    41 S   HC   _H47    94     1.09467   108.74641    51.35455
   43    38 S   CT   _C17    41     1.54389   115.68384   -70.31830
   44    43 S   HC   _H48    42     1.09879   106.62914    17.72126
   45    41 S   CO4  _C6_    95     1.52541   108.94575   -62.78149
   46    45 S   O    _O27    96     1.22755   123.37509   132.87060
   47    45 S   HC   _H32    97     1.10339   116.08317   -50.02665
   48    43 S   CT   _C21    43     1.57158   115.95826   -99.67760
   49    48 S   CT   _C9_    44     1.54911   100.45335  -162.48204
   50    49 S   HC   _H35    45     1.09804   110.85649   -74.35074
   51    49 S   HC   _H36    46     1.09547   112.86054   165.02251
   52    48 S   CT   _C13    74     1.55508   114.00966    83.18075
   53    52 S   HC   _H43    75     1.09935   106.65144   153.71399
   54    52 S   HC   _H44    76     1.09649   109.27264    41.55397
   55    48 S   CT   _C27    98     1.54267   114.83495   -46.28839
   56    55 S   HC   _H61    99     1.09236   112.83449    70.56513
   57    55 S   HC   _H62   100     1.09254   112.53038   -50.18780
   58    55 S   HC   _H63   101     1.09646   110.47536  -169.93745
   59    49 S   CT   _C10    47     1.51930   104.64851    43.58902
   60    59 S   HC   _H37    48     1.09267   108.94965    80.85016
   61    59 S   HC   _H38    49     1.09544   110.02136  -161.48220
   62    52 S   CT   _C18    77     1.54135   118.84726   -86.63471
   63    62 S   HC   _H49    78     1.10078   107.27062   -63.27177
   64    43 S   CT   _C22    50     1.57613   116.99868   134.37023
   65    62 S   CT   _C14    79     1.54965   118.14848    57.40654
   66    65 S   HC   _H45    80     1.09450   108.74828   -88.57027
   67    64 S   CT   _C19    51     1.53598   120.78935     6.69249
   68    67 S   HC   _H50    52     1.09519   110.00813   -47.10754
   69    65 S   CO4  _C4_    81     1.52326   100.09614   161.35716
   70    69 S   O    _O26    82     1.22617   123.74032   161.71053
   71    67 S   CT   _C11    53     1.52021   101.77316  -158.34861
   72    71 S   HC   _H39    54     1.09712   110.66110   -78.51945
   73    71 S   HC   _H40    55     1.09525   113.12234   161.16676
   74    67 S   CT   _C26    70     1.51846   117.95689    77.00036
   75    74 S   HC   _H58    71     1.09349   112.53323    63.48522
   76    74 S   HC   _H59    72     1.09341   111.11154   -58.49253
   77    74 S   HC   _H60    73     1.09570   110.02668  -177.40505
   78    69 S   CT   _C8_    83     1.50651   113.18156   -17.12841
   79    78 S   HC   _H33    84     1.09439   107.85703   111.21497
   80    78 S   HC   _H34    85     1.09315   109.77370  -127.51500
   81    71 S   CT   _C15    56     1.52511   102.34082    38.47710
   82    81 S   HC   _H46    57     1.09302   110.75455  -139.23438
   83    62 S   CT   _C23    86     1.55252   113.46737   179.65793
   84    64 S   OS   _O28    58     1.46064   106.61170  -109.30142
   85    81 S   CM   _C5_    59     1.50401   112.80093    94.56043
   86    85 S   HC   _H31    60     1.08902   114.62552   -74.29477
   87    83 S   CT   _C28    87     1.52648   113.66197    67.71420
   88    87 S   HC   _H64    88     1.09499   111.29766   -68.24100
   89    87 S   HC   _H65    89     1.09618   110.54597   174.03892
   90    87 S   HC   _H66    90     1.09463   111.76867    53.46015
   91    83 S   OH   _O29    91     1.42632   110.10039   -53.80934
   92    91 S   HO   _H67    92     0.97258   108.30152  -175.80693
   93    85 S   CM   _C7_    61     1.34662   127.63782   106.38918
   94    93 S   CT   _C24    62     1.50567   120.40693   178.60815
   95    94 S   HC   _H52    63     1.09493   110.28220   119.19547
   96    94 S   HC   _H53    64     1.09496   110.19935  -120.98196
   97    94 S   HC   _H54    65     1.09524   112.41954    -0.93691
   98    93 S   CT   _C25    66     1.50235   125.11147    -1.96184
   99    98 S   HC   _H55    67     1.09480   110.10154   113.86689
  100    98 S   HC   _H56    68     1.09543   110.05626  -126.82182
  101    98 S   HC   _H57    69     1.09223   113.47170    -7.25831
  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
  17   8   2   1   1  16   6   5  14   7  23   8   6   2   1  20
  16   7   6  17   6   5   6   2   1   1   9   4   3  15   7  13
   9   4  12   9   7   4  12   6   5   5   2   1   1   9   4   3
   7   4   6   3  10   3   5   3   2   1   1   1   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    65    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    64    62    65    66    69    41    42    45    46    47  
   38    39    40    43    65    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    59    64    67    84    52    65    41    42    45    55  
   40    43    44    48    64    41  
   43    44    48    64    41  
   42    45    46    47    43    52    62    63    65    66    69    70    78    83  
   45    46    47    62    65    66    69  
   44    48    49    50    51    59    60    61    64    67    68    71    81    84    74    52    53    54    62    55    56    57    58  
   48    49    59    64    67    84    52    55  
   46    47    62    65    66    69  
   47    65  
   65  
   49    50    51    59    60    61    64    67    84    52    53    54    62    63    65    83    55    56    57    58  
   50    51    59    60    61    64    67    84    52    53    54    62    55    56    57    58  
   51    59    60    61    64    52    55  
   59    60    61    64    52    55  
   53    54    62    63    65    66    69    78    83    87    91    55    56    57    58    59    64  
   54    62    63    65    83    55  
   62    63    65    83    55  
   56    57    58    59    62    64  
   57    58  
   58  
    0  
   60    61    64    67    68    71    81    84    74  
   61    64    67    84  
   64    67    84  
   63    65    66    69    70    78    79    80    83    87    88    89    90    91    92  
   65    66    69    78    83    87    91  
   67    68    71    72    73    81    82    84    85    74    75    76    77  
   66    69    70    78    79    80    83    87    91  
   69    70    78    83  
   68    71    72    73    81    82    84    85    74    75    76    77  
   71    72    73    81    84    74    75    76    77  
   70    78    79    80    83    87    91  
   78    79    80    83  
   72    73    81    82    84    85    86    93    74    75    76    77  
   73    81    82    84    85    74  
   81    82    84    85    74  
   75    76    77    81    84  
   76    77  
   77  
    0  
   79    80    83    87    88    89    90    91    92  
   80    83    87    91  
   83    87    91  
   82    84    85    86    93    94    98  
   84    85    86    93  
   87    88    89    90    91    92  
   85    86    93  
   86    93    94    95    96    97    98    99   100   101  
   93    94    98  
   88    89    90    91    92  
   89    90    91  
   90    91  
   91  
   92  
    0  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    64   268.000  1.529
   48    49   268.000  1.529
   48    52   268.000  1.529
   48    55   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    67   268.000  1.529
   64    84   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    81   268.000  1.529
   81    82   340.000  1.090
   81    84   320.000  1.410
   81    85   317.000  1.510
   85    86   340.000  1.080
   85    93   549.000  1.340
   93    94   317.000  1.510
   93    98   317.000  1.510
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    83   268.000  1.529
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    41   268.000  1.529
   69    70   570.000  1.229
   69    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   268.000  1.529
   83    87   268.000  1.529
   83    91   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   553.000  0.945
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   570.000  1.229
   45    47   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    65    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    48    58.35000  112.70000
   38    43    64    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    49    58.35000  112.70000
   43    48    52    58.35000  112.70000
   43    48    55    58.35000  112.70000
   43    64    59    58.35000  112.70000
   43    64    67    58.35000  112.70000
   43    64    84    50.00000  109.50000
   48    43    44    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    51    37.50000  110.70000
   48    49    59    58.35000  112.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    62    58.35000  112.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    51    37.50000  110.70000
   59    64    67    58.35000  112.70000
   59    64    84    50.00000  109.50000
   61    59    60    33.00000  107.80000
   64    43    44    37.50000  110.70000
   64    43    48    58.35000  112.70000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    71    58.35000  112.70000
   64    67    74    58.35000  112.70000
   64    84    81    60.00000  109.50000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    81    58.35000  112.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   71    67    68    37.50000  110.70000
   71    81    82    37.50000  110.70000
   71    81    84    50.00000  109.50000
   71    81    85    70.00000  112.02700
   73    71    72    33.00000  107.80000
   81    71    72    37.50000  110.70000
   81    71    73    37.50000  110.70000
   81    85    86    35.00000  117.00000
   81    85    93    70.00000  124.00000
   84    64    67    50.00000  109.50000
   84    81    82    35.00000  109.50000
   85    81    82    35.00000  109.50000
   85    81    84    85.00000  110.90400
   85    93    94    70.00000  124.00000
   85    93    98    70.00000  124.00000
   93    85    86    35.00000  120.00000
   93    94    95    35.00000  109.50000
   93    94    96    35.00000  109.50000
   93    94    97    35.00000  109.50000
   93    98    99    35.00000  109.50000
   93    98   100    35.00000  109.50000
   93    98   101    35.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    93    94    65.00000  117.92700
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   52    48    49    58.35000  112.70000
   52    62    63    37.50000  110.70000
   52    62    65    58.35000  112.70000
   52    62    83    58.35000  112.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    69    63.00000  111.10000
   62    65    41    58.35000  112.70000
   62    83    78    58.35000  112.70000
   62    83    87    58.35000  112.70000
   62    83    91    50.00000  109.50000
   65    62    63    37.50000  110.70000
   65    69    70    80.00000  120.40000
   65    69    78    70.00000  116.00000
   65    41    42    37.50000  110.70000
   65    41    45    63.00000  111.10000
   69    65    66    35.00000  109.50000
   69    78    79    35.00000  109.50000
   69    78    80    35.00000  109.50000
   69    78    83    63.00000  111.10000
   78    69    70    80.00000  120.40000
   78    83    87    58.35000  112.70000
   78    83    91    50.00000  109.50000
   80    78    79    33.00000  107.80000
   83    62    63    37.50000  110.70000
   83    62    65    58.35000  112.70000
   83    78    79    37.50000  110.70000
   83    78    80    37.50000  110.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   83    91    92    55.00000  108.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    83    87    50.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    65    66    37.50000  110.70000
   41    65    69    63.00000  111.10000
   41    45    46    80.00000  120.40000
   41    45    47    35.00000  115.00000
   45    41    42    35.00000  109.50000
   47    45    46    35.00000  123.00000
   55    48    49    58.35000  112.70000
   55    48    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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
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   87    83    91    92  -0.09450 -1.0 2.0
   87    83    91    92   0.21250  1.0 3.0
   91    83    87    88   0.23400  1.0 3.0
   91    83    87    89   0.23400  1.0 3.0
   91    83    87    90   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    65    69    70   0.30150 -1.0 2.0
   41    65    69    78   0.60050  1.0 1.0
   41    65    69    78   0.05600 -1.0 2.0
   41    65    69    78   0.26150  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   55    48    49    50   0.15000  1.0 3.0
   55    48    49    51   0.15000  1.0 3.0
   55    48    49    59   0.56750  1.0 1.0
   55    48    49    59  -0.07550 -1.0 2.0
   55    48    49    59   0.20000  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    62   0.56750  1.0 1.0
   55    48    52    62  -0.07550 -1.0 2.0
   55    48    52    62   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   81    86    85    93  15.00000 -1.0 2.0
   94    98    93    85  15.00000 -1.0 2.0
   65    78    69    70  10.50000 -1.0 2.0
   41    47    45    46  10.50000 -1.0 2.0
END
