* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    191    309     574
    1     0 S   NP   _N1_     1    29.63873    96.71589   -15.47870
    2     1 S   H    _HN1     2     1.02767    59.31644   -78.53824
    3     1 S   H    _H1_     3     1.02947    94.70502    30.18164
    4     1 S   H    _H2_     4     1.02837    57.09843   137.21495
    5     1 S   CT   _CA1     5     1.50280   154.83545  -155.81753
    6     5 S   HC   _HA1     6     1.09562   105.05879     3.81747
    7     5 S   CO3  _C1_     7     1.53961   112.56939  -115.92120
    8     7 S   O2Z  _O11     8     1.26377   114.92453   -28.92314
    9     7 S   O2Z  _O12     9     1.26255   115.17060   150.00770
   10     5 S   CT   _CB1    10     1.53162   107.32630   121.92012
   11    10 S   HC   HB11    11     1.09814   109.52986   -44.69911
   12    10 S   HC   HB12    12     1.09828   110.26115    71.96921
   13    10 S   CT   _CG1    13     1.52987   112.78296  -165.68005
   14    13 S   HC   HG11    14     1.09460   110.46697   -62.62715
   15    13 S   HC   HG12    15     1.09646   110.05924    56.45505
   16    13 S   C    _CD1    16     1.51856   112.46351   176.54430
   17    16 S   O    _OE1    17     1.22703   123.27184   -10.52785
   18    16 S   N    _N2_    18     1.38590   111.52937   170.28380
   19    18 S   H    _HN2    19     1.01592   118.84696     0.68070
   20    18 S   CT1  _CA2    20     1.46373   123.77316  -178.64059
   21    20 S   HC   _HA2    21     1.09741   109.41458   -18.17614
   22    20 S   C    _C2_    22     1.53480   107.91629  -133.75500
   23    22 S   O    _O2_    23     1.22997   122.38206  -144.72755
   24    20 S   CT   _CB2    32     1.53902   111.09084   104.36444
   25    24 S   HC   HB21    33     1.09140   108.00655    50.20513
   26    24 S   HC   HB22    34     1.09079   109.89311   168.57073
   27    22 S   N    _N3_    24     1.38548   113.23400    42.55665
   28    27 S   H    _HN3    25     1.01538   118.89723    -0.46814
   29    24 S   S    _SG2    35     1.82900   110.49184   -71.64940
   30    27 S   CT   _CA3    26     1.45454   123.46759   175.21050
   31    30 S   HC   HA31    27     1.09521   109.26043    23.75948
   32    30 S   HC   HA32    28     1.09497   107.10867   140.76797
   33    29 S   CT   _C15    36     1.93507   105.61845   167.39807
   34    30 S   CO3  _C3_    29     1.52927   113.12450   -99.73765
   35    34 S   O2Z  _O31    30     1.26401   115.41055   -44.07291
   36    34 S   O2Z  _O32    31     1.26356   114.97482   136.86991
   37    33 S   CT   _C16    37     1.59838   105.85053  -157.35195
   38    37 S   HC   _H6_    38     1.09439   108.03437  -178.10432
   39    33 S   CT   _C14    71     1.57283   109.45967   -40.96912
   40    39 S   HC   _H5_    72     1.09208   110.09139    58.82691
   41    37 S   CT   _C17    39     1.54278   113.19779   -61.96478
   42    41 S   HC   _H16    40     1.09696   109.65824  -173.04915
   43    41 S   HC   _H17    41     1.09628   110.99685    70.43730
   44    37 S   CT   _C11    59     1.54326   111.10012    64.62086
   45    44 S   HC   _H4_    60     1.09819   106.67096   -60.39539
   46    39 S   OH   _O37    73     1.42641   111.06975   173.47839
   47    46 S   HO   _H26    74     0.97269   107.84259  -176.69228
   48    41 S   CT   _C18    42     1.52619   112.38722   -52.92369
   49    48 S   HC   _H18    43     1.09659   109.51158   -71.23615
   50    48 S   HC   _H19    44     1.09707   108.61769   173.58381
   51    44 S   CT   _C10    61     1.52804   119.30758  -177.72497
   52    51 S   HC   _H12    62     1.09599   110.56675   -43.57399
   53    51 S   HC   _H13    63     1.09482   111.54420    76.63900
   54    48 S   CM   _C19    45     1.50916   112.17845    50.15224
   55    51 S   CT   _C9_    64     1.54854   104.11111  -161.67978
   56    55 S   HC   _H3_    65     1.09747   109.18596   124.45486
   57    54 S   CM   _C20    46     1.34305   120.26319   125.76383
   58    57 S   HC   _H20    47     1.08466   121.95971     0.23239
   59    55 S   CT   _C8_    66     1.56298   106.39288     5.21143
   60    55 S   OS   _O38    93     1.43797   111.18146  -115.10359
   61    57 S   CO4  _C21    48     1.47767   121.56542  -179.91377
   62    61 S   O    _O36    49     1.22620   121.08995  -179.60883
   63    44 S   CT   _C12    67     1.55077   113.80609    59.33631
   64    59 S   CO4  _C7_    79     1.53475   113.37658   151.04005
   65    64 S   O    _O35    80     1.23228   121.39740  -139.55271
   66    59 S   OH   _O40    91     1.42959   109.26002   -92.49254
   67    66 S   HO   _H33    92     0.97251   108.43043  -174.99449
   68    60 S   CO4  _C27    94     1.36181   116.98823   -78.21925
   69    68 S   O    _O39    95     1.22337   126.29289     0.28939
   70    61 S   CM   _C22    50     1.47488   117.82982     0.30261
   71    70 S   HC   _H21    51     1.08367   117.80733   180.00000
   72    63 S   CT   _C13    68     1.54768   107.65329   -58.02797
   73    72 S   HC   _H14    69     1.09424   110.32981   -67.82475
   74    72 S   HC   _H15    70     1.09701   109.08505   176.12480
   75    63 S   CT   _C26    75     1.55752   112.98322    64.09108
   76    75 S   HC   _H27    76     1.09409   112.97302    73.87291
   77    75 S   HC   _H28    77     1.09131   113.28353   -46.39613
   78    75 S   HC   _H29    78     1.09539   110.91696  -166.59945
   79    64 S   CT   _C6_    81     1.52153   117.28153    44.24182
   80    79 S   HC   _H10    82     1.09342   108.95113    52.72479
   81    79 S   HC   _H11    83     1.09377   109.02624   -68.98877
   82    68 S   CT   _C28    96     1.49813   109.61732  -178.80745
   83    82 S   HC   _H30    97     1.09330   110.00658   -51.31557
   84    82 S   HC   _H31    98     1.09374   109.33157  -169.90065
   85    82 S   HC   _H32    99     1.09249   109.70314    70.58346
   86    70 S   CM   _C23    52     1.33771   120.64024     0.35991
   87    86 S   HC   _H22    53     1.08813   117.56941  -179.64502
   88    79 S   OS   _O34    84     1.42933   108.91745   171.73587
   89    33 S   CT   _C24    54     1.60870   108.61672    85.96010
   90    88 S   CO4  _C5_    85     1.36256   115.20229   178.16240
   91    90 S   O    _O33    86     1.22340   126.27294    -0.85042
   92    89 S   CT   _C25    55     1.55356   114.55120   179.85329
   93    92 S   HC   _H23    56     1.09317   113.20492   -46.40675
   94    92 S   HC   _H24    57     1.09900   111.03455  -166.15601
   95    92 S   HC   _H25    58     1.09564   112.54707    75.77139
   96    90 S   CT   _C4_    87     1.49835   109.59125   179.29390
   97    96 S   HC   _H7_    88     1.09292   109.83531   -60.62952
   98    96 S   HC   _H8_    89     1.09380   109.35841  -179.64337
   99    96 S   HC   _H9_    90     1.09288   109.83379    61.28903
  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  13   5   4   3
  27   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  12   6   5  12  14   6   8   4  18   9   6   3  12  10
   5   4   1   5   4   5   3   7   2   1   3   2   1   1   6   3
   2   3   2   1   1   6   2   6   4   5   4   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    89    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    86    89    92    44    72    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    70    86    87    89    92    93    94    95    44    45    51    63    72    73    74    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    86    89    92    44    45    51    52    53    55    59    63    72    39    40    46    75  
   41    42    43    48    89    44    45    51    63    39  
   40    46    47    75    41    44    54    59    63    72    73    74    86    89    92  
   46    47    63    72    73    74    89  
   42    43    48    49    50    54    57    89    44    45    51    63  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    63    72    73    74    75    76    77    78    64    66    60    48    89  
   51    52    53    55    59    63    72    75  
   47    63    72    73    74    89  
   72  
   49    50    54    57    58    61    86    89    92  
   50    54    57    89  
   54    57    89  
   52    53    55    56    59    63    72    75    64    66    60    68  
   53    55    56    59    63    60  
   55    56    59    63    60  
   57    58    61    62    70    86    87    89    92    93    94    95  
   56    59    63    72    75    64    65    79    66    67    60    68    69    82  
   59    63    64    66    60    68  
   58    61    62    70    71    86    89    92  
   61    62    70    89  
   63    72    73    74    75    76    77    78    64    65    79    80    81    88    66    67    60    68  
   68    69    82    83    84    85    63    64    66  
   62    70    71    86    87    89  
   70    71    86  
   72    73    74    75    76    77    78    64    65    79    66    67  
   65    79    80    81    88    90    66    67    72    75  
   79    80    81    88    66  
   67    72    75    79  
    0  
   69    82    83    84    85  
   82    83    84    85  
   71    86    87    89    92  
   86    87    89  
   73    74    75    76    77    78    89  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    88    90    91    96  
   81    88    90  
   88    90  
   83    84    85  
   84    85  
   85  
    0  
   87    89    92    93    94    95  
   89    92  
   90    91    96    97    98    99  
   92    93    94    95  
   91    96    97    98    99  
   96    97    98    99  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99  
   98    99  
   99  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   268.000  1.529
   33    89   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    89   317.000  1.510
   57    58   340.000  1.080
   57    61   320.000  1.462
   61    62   570.000  1.229
   61    70   320.000  1.462
   70    71   340.000  1.080
   70    86   549.000  1.340
   86    87   340.000  1.080
   86    89   317.000  1.510
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    63   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    60   320.000  1.410
   59    63   268.000  1.529
   59    64   317.000  1.522
   59    66   320.000  1.410
   63    72   268.000  1.529
   63    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   64    65   570.000  1.229
   64    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    88   320.000  1.410
   88    90   214.000  1.327
   90    91   570.000  1.229
   90    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   66    67   553.000  0.945
   60    68   214.000  1.327
   68    69   570.000  1.229
   68    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    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  111.63000
   29    33    89    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    89    54    70.00000  112.02700
   33    89    86    70.00000  112.02700
   33    89    92    58.35000  112.70000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    63    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    89    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    61    65.00000  118.96000
   54    89    86    70.00000  110.12100
   54    89    92    70.00000  112.02700
   57    61    62    80.00000  123.72100
   57    61    70    65.00000  118.65900
   61    57    58    40.00000  117.72500
   61    70    71    40.00000  117.72500
   61    70    86    65.00000  118.96000
   70    61    62    80.00000  123.72100
   70    86    87    35.00000  120.00000
   70    86    89    70.00000  124.00000
   86    70    71    35.00000  120.00000
   86    89    92    70.00000  112.02700
   89    33    37    58.35000  112.70000
   89    54    57    70.00000  124.00000
   89    86    87    35.00000  117.00000
   89    92    93    37.50000  110.70000
   89    92    94    37.50000  110.70000
   89    92    95    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    63    59    58.35000  112.70000
   44    63    72    58.35000  112.70000
   44    63    75    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    60    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    64    63.00000  111.10000
   55    59    66    50.00000  109.50000
   55    60    68    83.00000  116.90000
   59    55    56    37.50000  110.70000
   59    63    72    58.35000  112.70000
   59    63    75    58.35000  112.70000
   59    64    65    80.00000  120.40000
   59    64    79    70.00000  116.00000
   59    66    67    55.00000  108.50000
   63    44    45    37.50000  110.70000
   63    44    51    58.35000  112.70000
   63    72    73    37.50000  110.70000
   63    72    74    37.50000  110.70000
   63    72    39    58.35000  112.70000
   63    75    76    37.50000  110.70000
   63    75    77    37.50000  110.70000
   63    75    78    37.50000  110.70000
   72    39    40    37.50000  110.70000
   72    39    46    50.00000  109.50000
   74    72    73    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    89    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    72    74    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   75    63    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   64    59    63    63.00000  111.10000
   64    79    80    35.00000  109.50000
   64    79    81    35.00000  109.50000
   64    79    88    90.00000  108.74100
   79    64    65    80.00000  120.40000
   79    88    90    83.00000  116.90000
   81    79    80    33.00000  107.80000
   88    79    80    35.00000  109.50000
   88    79    81    35.00000  109.50000
   88    90    91    83.00000  123.40000
   88    90    96    81.00000  111.40000
   90    96    97    35.00000  109.50000
   90    96    98    35.00000  109.50000
   90    96    99    35.00000  109.50000
   96    90    91    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   66    59    63    50.00000  109.50000
   66    59    64    90.00000  109.61100
   60    55    56    35.00000  109.50000
   60    55    59    50.00000  109.50000
   60    68    69    83.00000  123.40000
   60    68    82    81.00000  111.40000
   68    82    83    35.00000  109.50000
   68    82    84    35.00000  109.50000
   68    82    85    35.00000  109.50000
   82    68    69    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    89   0.01700  1.0 1.0
   24    29    33    89  -0.23550 -1.0 2.0
   24    29    33    89   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   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
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   60    68    82    83   0.00000  1.0 1.0
   60    68    82    84   0.00000  1.0 1.0
   60    68    82    85   0.00000  1.0 1.0
   69    68    82    83   0.00000  1.0 1.0
   69    68    82    84   0.00000  1.0 1.0
   69    68    82    85   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
   48    89    54    57   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   57    70    61    62  10.50000 -1.0 2.0
   61    71    70    86   1.10000 -1.0 2.0
   89    87    86    70   1.10000 -1.0 2.0
   59    79    64    65  10.50000 -1.0 2.0
   88    96    90    91  10.50000 -1.0 2.0
   60    82    68    69  10.50000 -1.0 2.0
END
